112871_p OpenBabel02171217032D 26 28 0 0 0 0 0 0 0 0999 V2000 7.4046 -8.1065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4046 -7.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6901 -8.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6901 -6.8690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9756 -8.1065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9756 -7.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1191 -8.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 -6.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6901 -6.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -6.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -8.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5467 -8.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8335 -8.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 -8.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8335 -7.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -8.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 -6.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -7.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6915 -8.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6915 -7.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9770 -8.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9770 -6.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3043 -8.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4060 -6.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4060 -6.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1204 -7.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 7 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 21 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 18 22 1 0 0 0 0 18 16 2 0 0 0 0 20 19 1 0 0 0 0 20 24 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 19 2 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END $$$$ 114085_p OpenBabel02171217032D 35 36 0 0 0 0 0 0 0 0999 V2000 12.6265 -5.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3299 -5.1396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6265 -6.3957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9231 -6.8267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9231 -7.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1946 -6.4187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4912 -6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1946 -5.5937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8980 -5.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4660 -5.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7626 -5.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2197 -8.0828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2197 -8.9077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9733 -9.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5163 -9.3388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5163 -10.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7877 -8.9309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0843 -9.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7877 -8.1059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4912 -7.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 -7.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3550 -6.8036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0835 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 -6.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0835 -5.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3299 -4.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6154 -3.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0444 -3.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0444 -3.0771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3299 -2.6646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7588 -2.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7588 -1.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5049 -2.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6662 -6.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5838 -2.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 26 1 0 0 0 0 3 1 1 0 0 0 0 3 22 1 6 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 6 0 0 0 7 34 1 0 0 0 0 8 6 1 0 0 0 0 8 10 1 1 0 0 0 9 1 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 1 0 0 0 13 12 1 0 0 0 0 13 14 1 1 0 0 0 15 13 1 0 0 0 0 15 16 1 6 0 0 0 17 15 1 0 0 0 0 17 18 1 6 0 0 0 19 17 1 0 0 0 0 19 21 1 6 0 0 0 20 12 1 0 0 0 0 20 19 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 M RAD 1 30 2 M END $$$$ 114701_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 8.8545 -8.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8545 -9.7900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1400 -8.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -10.2025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4255 -8.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4255 -9.7900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5689 -8.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5689 -10.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -11.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -10.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 6 10 1 6 0 0 0 M END $$$$ 114702_p OpenBabel02171217032D 10 9 0 0 0 0 0 0 0 0999 V2000 4.7898 -3.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -3.5740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2190 -3.1644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9282 -3.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0698 -3.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -4.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -2.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -4.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 -3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3626 -3.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 6 1 1 0 0 0 3 2 1 0 0 0 0 3 7 1 1 0 0 0 4 3 1 0 0 0 0 4 8 1 1 0 0 0 5 1 1 0 0 0 0 9 4 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 114703_p OpenBabel02171217032D 10 9 0 0 0 0 0 0 0 0999 V2000 9.9888 -5.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6980 -5.8496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4180 -5.4399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1272 -5.8614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8471 -5.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2689 -5.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6980 -6.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4180 -4.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1272 -6.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5616 -5.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 3 8 1 6 0 0 0 4 3 1 0 0 0 0 4 9 1 1 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 1 1 0 0 0 0 M END $$$$ 114704_p OpenBabel02171217032D 12 11 0 0 0 0 0 0 0 0999 V2000 10.7660 -5.2609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0514 -5.6732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3368 -5.2608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6225 -5.6733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9079 -5.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4805 -5.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0514 -6.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 -4.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6225 -6.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1934 -5.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1949 -5.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7660 -4.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 6 0 0 0 2 1 1 0 0 0 0 2 7 1 6 0 0 0 3 2 1 0 0 0 0 3 8 1 1 0 0 0 4 3 1 0 0 0 0 4 9 1 1 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 M END $$$$ 114705_p OpenBabel02171217032D 12 11 0 0 0 0 0 0 0 0999 V2000 4.3754 -2.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -3.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8075 -2.8663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5267 -3.2705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2397 -2.8498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9588 -3.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 -3.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1008 -4.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8013 -2.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5329 -4.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2334 -2.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -4.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 2 1 0 0 0 0 3 9 1 1 0 0 0 4 3 1 0 0 0 0 4 10 1 1 0 0 0 5 4 1 0 0 0 0 5 11 1 6 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 12 6 1 0 0 0 0 M END $$$$ 114706_p OpenBabel02171217032D 10 9 0 0 0 0 0 0 0 0999 V2000 6.0753 -1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6495 -2.6068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0548 -3.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6290 -4.0359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0343 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -1.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 -2.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8798 -3.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 -4.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8593 -4.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 3 8 1 1 0 0 0 4 3 1 0 0 0 0 4 9 1 6 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 10 5 1 0 0 0 0 M END $$$$ 114707_p OpenBabel02171217032D 8 7 0 0 0 0 0 0 0 0999 V2000 -0.3572 -0.2062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3572 0.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 1 5 1 1 0 0 0 2 8 1 0 0 0 0 2 6 1 6 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ 114708_p OpenBabel02171217032D 12 11 0 0 0 0 0 0 0 0999 V2000 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 9 1 0 0 0 0 5 6 1 1 0 0 0 7 3 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 0 0 0 0 9 10 1 1 0 0 0 11 5 1 0 0 0 0 11 12 1 6 0 0 0 M END $$$$ 114709_p OpenBabel02171217032D 8 7 0 0 0 0 0 0 0 0999 V2000 1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 1 0 0 0 0 2 6 1 6 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 6 0 0 0 4 8 1 0 0 0 0 M END $$$$ 115005_p OpenBabel02171217032D 70 75 0 0 0 0 0 0 0 0999 V2000 13.3574 -6.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3574 -7.4147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6429 -6.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6429 -7.8272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9284 -6.5897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9284 -7.4147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0720 -6.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0720 -7.8272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6429 -8.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2139 -7.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2139 -6.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4994 -7.4147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7850 -7.8272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4994 -6.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0704 -7.4146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7850 -6.1771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0705 -6.5896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7849 -8.6522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 -7.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 -6.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 -5.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0704 -9.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0704 -9.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 -8.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7864 -7.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7864 -6.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5008 -7.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4995 -4.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 -5.3521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9271 -3.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6416 -4.9396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0705 -4.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6416 -4.1146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0704 -4.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3560 -3.7022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9271 -5.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 -2.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7849 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7849 -2.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4994 -2.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4993 -1.6397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2138 -2.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2138 -1.2272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9283 -2.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9283 -1.6397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7849 -1.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2139 -0.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6427 -1.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6427 -2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3571 -2.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2139 -5.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9284 -9.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9284 -10.7147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6429 -9.4772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3573 -9.8897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3573 -10.7147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6429 -11.1272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0717 -9.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0718 -11.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6429 -11.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2140 -11.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2126 -4.9396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4981 -5.3521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2126 -4.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7837 -4.9396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4981 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7837 -4.1146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4981 -6.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -5.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -3.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 25 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 10 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 18 22 1 0 0 0 0 21 28 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 26 25 2 0 0 0 0 27 25 1 0 0 0 0 29 20 1 1 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 1 0 0 0 0 31 36 1 1 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 30 1 1 0 0 0 34 35 1 0 0 0 0 34 38 1 1 0 0 0 35 37 1 6 0 0 0 39 38 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 39 1 6 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 47 1 1 0 0 0 44 45 1 0 0 0 0 44 49 1 1 0 0 0 45 48 1 6 0 0 0 50 49 1 0 0 0 0 53 52 1 0 0 0 0 53 61 1 6 0 0 0 54 52 1 0 0 0 0 54 9 1 1 0 0 0 54 55 1 0 0 0 0 55 58 1 1 0 0 0 55 56 1 0 0 0 0 56 59 1 6 0 0 0 56 57 1 0 0 0 0 57 53 1 0 0 0 0 57 60 1 6 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 36 1 1 0 0 0 63 65 1 0 0 0 0 63 68 1 6 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 65 69 1 1 0 0 0 66 67 1 0 0 0 0 67 70 1 6 0 0 0 M END $$$$ 115013_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 13.8741 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8741 -7.9021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1596 -6.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 -8.3146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4452 -7.0771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4452 -7.9021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5886 -6.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5886 -8.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 -9.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7307 -8.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7307 -6.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0162 -7.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 -9.5521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4452 -10.3771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7306 -9.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7306 -10.7896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0162 -9.5521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0162 -10.3771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1596 -10.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7306 -11.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3017 -10.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3017 -9.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5872 -9.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 115015_p OpenBabel02171217032D 11 11 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 1 0 0 0 3 1 1 0 0 0 0 3 7 1 6 0 0 0 3 4 1 0 0 0 0 4 8 1 6 0 0 0 4 5 1 0 0 0 0 5 9 1 1 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 1 0 0 0 M END $$$$ 115136_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 12 1 1 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 5 9 1 6 0 0 0 6 4 1 0 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 M END $$$$ 116644_p OpenBabel02171217032D 81 87 0 0 0 0 0 0 0 0999 V2000 18.9933 -5.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9933 -6.6895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2788 -5.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2788 -7.1020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5643 -5.8645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5643 -6.6895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7078 -5.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7078 -7.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2788 -7.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8498 -7.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8498 -5.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1353 -6.6895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4209 -7.1020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1353 -5.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7063 -6.6894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4209 -5.4519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7064 -5.8644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4208 -7.9270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9919 -7.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9919 -5.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4209 -4.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7063 -8.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7063 -9.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9919 -7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4222 -6.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4223 -5.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1367 -7.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1354 -4.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9919 -4.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5631 -2.1519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8487 -1.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2776 -1.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8487 -0.9145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2776 -0.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5632 -0.5020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1342 -2.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1343 -0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5633 0.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9921 -0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9921 0.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5630 -2.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2775 -4.2144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7064 -4.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2775 -3.3894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7063 -3.3895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9919 -2.9770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5630 -4.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9919 -2.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4208 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4208 -2.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1353 -1.7394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1352 -0.9145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8497 -2.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8497 -0.5020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5642 -1.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5642 -0.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4208 -0.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8498 0.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2786 -0.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2786 -2.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9930 -1.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8498 -4.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5643 -9.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5643 -9.9895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2788 -8.7520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9932 -9.1645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9932 -9.9895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2788 -10.4020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7076 -8.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7077 -10.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2788 -11.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8499 -10.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8485 -4.2144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1341 -4.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8485 -3.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4196 -4.2144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1341 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4196 -3.3894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1340 -5.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7051 -4.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7051 -2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 25 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 10 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 18 22 1 0 0 0 0 21 28 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 26 25 2 0 0 0 0 27 25 1 0 0 0 0 29 20 1 1 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 41 1 6 0 0 0 31 33 1 0 0 0 0 31 36 1 1 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 6 0 0 0 40 39 1 0 0 0 0 42 44 1 0 0 0 0 42 47 1 1 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 44 41 1 1 0 0 0 45 46 1 0 0 0 0 45 49 1 1 0 0 0 46 48 1 6 0 0 0 50 49 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 50 1 6 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54 58 1 1 0 0 0 55 56 1 0 0 0 0 55 60 1 1 0 0 0 56 59 1 6 0 0 0 61 60 1 0 0 0 0 64 63 1 0 0 0 0 64 72 1 6 0 0 0 65 63 1 0 0 0 0 65 9 1 1 0 0 0 65 66 1 0 0 0 0 66 69 1 1 0 0 0 66 67 1 0 0 0 0 67 70 1 6 0 0 0 67 68 1 0 0 0 0 68 64 1 0 0 0 0 68 71 1 6 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 73 47 1 1 0 0 0 74 76 1 0 0 0 0 74 79 1 6 0 0 0 75 77 1 0 0 0 0 76 78 1 0 0 0 0 76 80 1 1 0 0 0 77 78 1 0 0 0 0 78 81 1 6 0 0 0 M END $$$$ 116885_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 8.9876 -8.9533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7020 -9.3658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2730 -9.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 -10.1909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2730 -10.1909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9875 -10.6034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4165 -8.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4164 -10.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -11.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 -10.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 -11.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8441 -10.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9876 -8.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 -4.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 -5.2407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1297 -4.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1297 -5.6532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4152 -4.4157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4152 -5.2407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5587 -4.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 -5.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1296 -6.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7007 -5.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7007 -4.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 -6.4782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2731 -6.8907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8441 -6.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2731 -7.7158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8441 -7.7157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5586 -8.1282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9876 -6.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 -8.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1297 -8.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1297 -8.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4152 -7.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 13 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 10 12 1 0 0 0 0 11 10 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 19 1 0 0 0 0 18 24 1 6 0 0 0 19 23 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 21 1 6 0 0 0 26 28 1 0 0 0 0 26 31 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 13 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 32 1 1 0 0 0 33 35 1 0 0 0 0 34 33 2 0 0 0 0 M END $$$$ 116886_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 17.2040 -3.7970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2040 -4.6220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4895 -3.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4895 -5.0345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7750 -3.7970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7750 -4.6220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9184 -3.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9184 -5.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4894 -5.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0605 -5.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0605 -3.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3461 -3.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3461 -5.4470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3461 -6.2720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6315 -5.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6315 -6.6845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9171 -5.4470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9171 -6.2720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0605 -6.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6315 -7.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -6.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -5.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4882 -5.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4882 -7.0970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4882 -7.9220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7736 -6.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7736 -8.3345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0592 -7.0970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0592 -7.9220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2026 -8.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7736 -9.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 -8.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 -6.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6302 -7.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6302 -8.7470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6302 -9.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9157 -8.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9157 -9.9845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2013 -8.7470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2013 -9.5720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3447 -9.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9157 -10.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 -9.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 -8.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -8.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 21 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 32 1 1 0 0 0 36 38 1 0 0 0 0 36 41 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 1 0 0 0 45 44 1 0 0 0 0 M END $$$$ 116887_p OpenBabel02171217032D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.2187 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 0.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5043 0.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2187 -0.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2187 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 0.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9332 0.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6477 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7898 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3622 0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7898 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 2.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 1 0 0 0 3 11 1 1 0 0 0 4 6 1 0 0 0 0 4 5 1 1 0 0 0 6 3 1 0 0 0 0 6 9 1 6 0 0 0 7 4 1 0 0 0 0 7 8 1 6 0 0 0 11 12 1 0 0 0 0 13 10 1 0 0 0 0 13 14 2 0 0 0 0 M END $$$$ 117702_p OpenBabel02171217032D 58 62 0 0 0 0 0 0 0 0999 V2000 20.5080 -13.0596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5080 -14.3896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3561 -12.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3561 -15.0546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2043 -13.0596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2043 -14.3896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6598 -12.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3561 -16.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0525 -15.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0525 -12.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9007 -13.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9007 -15.7197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9007 -17.0497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7488 -15.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7488 -17.7147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5970 -15.7197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5970 -17.0497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0525 -17.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7488 -19.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 -17.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 -15.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3561 -17.7146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5079 -18.3797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2042 -18.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5078 -19.7097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2042 -19.7097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3560 -20.3747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6597 -17.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6596 -20.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3560 -21.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0524 -20.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0524 -21.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6598 -16.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5079 -17.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6598 -15.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8116 -17.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8117 -9.0696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8117 -10.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6598 -8.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6598 -11.0646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5080 -9.0696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5080 -10.3996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.9635 -8.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 -11.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3562 -11.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3562 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2044 -9.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4190 -6.4096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.4190 -7.7396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.2671 -5.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2671 -8.4046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.1153 -6.4096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1153 -7.7396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.5708 -5.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5708 -8.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2671 -9.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 -5.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8117 -6.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 35 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 9 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 8 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 1 0 0 0 32 31 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 36 33 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 1 0 0 0 38 40 1 0 0 0 0 38 44 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 7 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 45 1 1 0 0 0 47 46 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 6 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51 56 1 1 0 0 0 52 53 1 0 0 0 0 52 57 1 1 0 0 0 53 43 1 6 0 0 0 58 57 1 0 0 0 0 M END $$$$ 117715_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 22.2633 -12.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2633 -13.6871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5488 -12.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5488 -14.0996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8344 -12.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8344 -13.6871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9777 -14.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5488 -14.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1198 -14.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1198 -12.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4054 -12.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8343 -15.3371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8343 -16.1621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1198 -14.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1198 -16.5746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4053 -15.3371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4053 -16.1621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5488 -16.5746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1198 -17.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6908 -16.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6908 -14.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9764 -15.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2632 -16.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2633 -15.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9777 -16.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4053 -17.8121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4053 -18.6371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6908 -17.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6908 -19.0496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9763 -17.8121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9763 -18.6371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1198 -19.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6908 -19.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2619 -19.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2619 -17.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5474 -17.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1212 -11.2121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1212 -12.0371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4067 -10.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4067 -12.4497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6922 -11.2122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6922 -12.0371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8357 -10.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8357 -12.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4067 -13.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9778 -10.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9778 -9.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9777 -12.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 48 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 18 23 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 19 1 1 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 1 0 0 0 36 35 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 1 0 0 0 38 40 1 0 0 0 0 38 44 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 48 1 6 0 0 0 46 47 1 0 0 0 0 M END $$$$ 118702_p OpenBabel02171217032D 25 25 0 0 0 0 0 0 0 0999 V2000 15.1814 -13.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8926 -14.3535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5896 -13.9552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3008 -14.3535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0120 -13.9552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7233 -14.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4560 -14.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8926 -15.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5896 -13.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3008 -15.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 -13.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1782 -15.5910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1782 -16.4160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4636 -15.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4636 -16.8285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7492 -15.5910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7492 -16.4160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8926 -16.8285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4636 -17.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0347 -16.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0347 -15.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3202 -15.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6071 -16.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6072 -15.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3216 -16.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 2 1 0 0 0 0 3 9 1 6 0 0 0 4 3 1 0 0 0 0 4 10 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 7 1 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 18 23 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 M END $$$$ 118703_p OpenBabel02171217032D 29 29 0 0 0 0 0 0 0 0999 V2000 9.6229 -11.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6229 -12.5465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9084 -11.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9084 -12.9590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1939 -11.7215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1939 -12.5465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3374 -12.9590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9084 -13.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 -12.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 -11.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -11.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3374 -13.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0519 -14.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6229 -14.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3374 -11.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7663 -11.3090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0519 -10.8965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0519 -10.0715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3374 -9.6590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3374 -8.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7663 -12.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7664 -9.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6229 -10.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6229 -8.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4809 -12.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4809 -10.8965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1953 -11.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9098 -10.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1953 -12.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 7 12 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 26 1 1 0 0 0 17 16 1 0 0 0 0 17 15 1 1 0 0 0 18 17 1 0 0 0 0 18 22 1 6 0 0 0 19 18 1 0 0 0 0 19 23 1 6 0 0 0 20 19 1 0 0 0 0 21 16 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 0 0 0 0 29 27 2 0 0 0 0 M END $$$$ 118704_p OpenBabel02171217032D 43 44 0 0 0 0 0 0 0 0999 V2000 10.7759 -6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7759 -7.0597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0614 -5.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0614 -7.4722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3469 -6.2347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3469 -7.0597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4904 -7.4722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0614 -8.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6325 -7.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6325 -5.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4904 -8.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2048 -8.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7759 -8.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4904 -5.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -5.8222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2048 -5.4097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2048 -4.5847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4904 -4.1722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4904 -3.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -6.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9194 -4.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7759 -4.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7759 -2.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6338 -7.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6338 -5.4097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3483 -5.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0628 -5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3483 -6.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6325 -4.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 -7.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2035 -7.4722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9180 -6.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4891 -7.0596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2035 -5.8221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4891 -6.2346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2035 -8.2972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7745 -7.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 -5.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2036 -4.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4891 -4.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 -8.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6325 -8.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 -9.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 7 11 1 0 0 0 0 10 29 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 15 25 1 1 0 0 0 16 15 1 0 0 0 0 16 14 1 1 0 0 0 17 16 1 0 0 0 0 17 21 1 6 0 0 0 18 17 1 0 0 0 0 18 22 1 6 0 0 0 19 18 1 0 0 0 0 20 15 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 0 0 0 0 28 26 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 9 1 0 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 1 0 0 0 36 41 1 0 0 0 0 40 39 1 0 0 0 0 42 41 1 0 0 0 0 43 41 2 0 0 0 0 M END $$$$ 118705_p OpenBabel02171217032D 57 59 0 0 0 0 0 0 0 0999 V2000 8.8842 -10.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2967 -10.8283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0591 -10.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8841 -11.5428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6466 -10.8283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0591 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0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6684 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0974 -4.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0974 -2.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9540 -2.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8118 -4.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8118 -3.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5262 -3.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2408 -3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5262 -4.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8106 -2.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0962 -4.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3816 -5.3163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0962 -4.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6672 -4.9039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3817 -3.6664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6673 -4.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3816 -6.1415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9527 -5.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9527 -3.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3817 -2.8414 0.0000 C 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3806 -2.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9516 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6660 -5.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9516 -4.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 -8.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8221 -10.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5365 -11.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 -11.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 64 1 6 0 0 0 2 1 1 0 0 0 0 2 7 1 6 0 0 0 3 2 1 0 0 0 0 3 8 1 1 0 0 0 4 3 1 0 0 0 0 4 9 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 7 65 1 0 0 0 0 10 1 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 64 1 6 0 0 0 13 12 1 0 0 0 0 13 18 1 1 0 0 0 14 12 1 0 0 0 0 14 20 1 6 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 16 19 1 1 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 17 21 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 1 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 20 1 1 0 0 0 26 27 1 0 0 0 0 26 30 1 1 0 0 0 27 54 1 6 0 0 0 29 61 1 0 0 0 0 30 53 1 0 0 0 0 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0 0 1 0 0 0 0 0 0 0 0 0 11.3862 -8.1195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3862 -7.2946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2428 -6.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6717 -9.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1006 -8.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2428 -8.5320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5284 -8.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8139 -8.5320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5284 -7.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 -8.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 -9.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 -9.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8139 -9.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 1 0 0 0 3 4 1 0 0 0 0 3 9 1 6 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 18 1 1 0 0 0 6 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 22 1 0 0 0 0 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0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 1 1 1 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 19 17 1 0 0 0 0 19 20 1 6 0 0 0 21 19 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 0 0 0 0 23 25 1 6 0 0 0 24 16 1 0 0 0 0 24 23 1 0 0 0 0 27 20 1 1 0 0 0 28 27 1 0 0 0 0 28 29 1 6 0 0 0 30 28 1 0 0 0 0 30 26 1 6 0 0 0 31 30 1 0 0 0 0 31 32 1 1 0 0 0 33 31 1 0 0 0 0 33 35 1 6 0 0 0 34 27 1 0 0 0 0 34 33 1 0 0 0 0 M END $$$$ 125614_p OpenBabel02171217032D 55 59 0 0 0 0 0 0 0 0999 V2000 18.1973 -5.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9119 -2.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9119 -3.7726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1973 -2.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1973 -4.1851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4829 -2.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4829 -3.7726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6263 -4.1852 0.0000 N 0 0 0 0 0 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16.7665 -9.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3343 -9.1261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6182 -8.7108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9021 -9.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6182 -7.8857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3342 -7.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9144 -7.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1839 -11.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7615 -9.9566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4752 -10.3706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1937 -9.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4703 -11.1955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7517 -11.6066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7468 -12.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0381 -11.1927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0430 -10.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3319 -11.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0551 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1991 -1.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3402 -1.2933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6264 -1.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9128 -1.2933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9129 -0.4655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1993 -0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6267 -0.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3403 -0.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6267 0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 1 1 1 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 19 17 1 0 0 0 0 19 20 1 6 0 0 0 21 19 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 0 0 0 0 23 25 1 6 0 0 0 24 16 1 0 0 0 0 24 23 1 0 0 0 0 27 20 1 1 0 0 0 28 27 1 0 0 0 0 28 29 1 6 0 0 0 30 28 1 0 0 0 0 30 26 1 6 0 0 0 31 30 1 0 0 0 0 31 32 1 1 0 0 0 33 31 1 0 0 0 0 33 35 1 6 0 0 0 34 27 1 0 0 0 0 34 33 1 0 0 0 0 37 29 1 1 0 0 0 38 37 1 0 0 0 0 38 39 1 6 0 0 0 40 38 1 0 0 0 0 40 36 1 6 0 0 0 41 40 1 0 0 0 0 41 42 1 1 0 0 0 43 41 1 0 0 0 0 43 45 1 6 0 0 0 44 37 1 0 0 0 0 44 43 1 0 0 0 0 48 46 1 1 0 0 0 49 48 1 0 0 0 0 49 15 1 6 0 0 0 50 49 1 0 0 0 0 50 47 1 6 0 0 0 51 50 1 0 0 0 0 51 52 1 1 0 0 0 53 51 1 0 0 0 0 53 55 1 6 0 0 0 54 48 1 0 0 0 0 54 53 1 0 0 0 0 M END $$$$ 125615_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 11.5319 -3.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2465 -1.3772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2465 -2.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5319 -0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5319 -2.6147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8175 -1.3772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8175 -2.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9609 -2.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1031 -2.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1031 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3887 -1.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6754 -2.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6755 -1.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3899 -2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9610 -0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8159 -3.8495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8159 -4.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0998 -5.0841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0998 -5.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3837 -4.6688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6676 -5.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3836 -3.8438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0997 -3.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6799 -3.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6689 -8.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3848 -6.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3848 -7.1460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1010 -7.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6689 -7.5557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9528 -7.1404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2367 -7.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9528 -6.3153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6688 -5.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 -5.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 1 1 1 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 0 0 0 0 20 21 1 1 0 0 0 22 20 1 0 0 0 0 22 24 1 6 0 0 0 23 16 1 0 0 0 0 23 22 1 0 0 0 0 26 19 1 1 0 0 0 27 26 1 0 0 0 0 27 28 1 6 0 0 0 29 27 1 0 0 0 0 29 25 1 6 0 0 0 30 29 1 0 0 0 0 30 31 1 1 0 0 0 32 30 1 0 0 0 0 32 34 1 6 0 0 0 33 26 1 0 0 0 0 33 32 1 0 0 0 0 M END $$$$ 127513_p OpenBabel02171217032D 55 59 0 0 0 0 0 0 0 0999 V2000 7.1275 -8.4344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1275 -9.2594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4129 -8.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4129 -9.6719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6985 -8.4344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6985 -9.2594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8419 -9.6719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 -9.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 -8.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2697 -8.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5564 -9.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5565 -8.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 -9.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -8.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4129 -10.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 -5.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5581 -5.9623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5581 -6.7872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2743 -7.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -7.1969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1259 -6.7816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4098 -7.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1258 -5.9566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8419 -5.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 -5.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9880 -7.6165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7016 -7.2027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7017 -6.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4152 -7.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1289 -7.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4151 -8.4445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1288 -8.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7015 -8.8584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9880 -8.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7015 -9.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9849 -7.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8438 -7.6147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5575 -7.2008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5575 -6.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2711 -7.6147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2711 -8.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9847 -8.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5573 -8.8564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8437 -8.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5573 -9.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9901 -3.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2737 -5.9634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2738 -5.1383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5579 -4.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9899 -4.7288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7060 -5.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4222 -4.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7059 -5.9692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9897 -6.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4096 -6.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 14 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 8 1 6 0 0 0 7 11 1 0 0 0 0 10 9 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 17 16 1 1 0 0 0 18 17 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 0 0 0 0 20 14 1 6 0 0 0 21 20 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 0 0 0 0 23 25 1 6 0 0 0 24 17 1 0 0 0 0 24 23 1 0 0 0 0 26 19 1 1 0 0 0 27 26 1 0 0 0 0 27 28 1 6 0 0 0 29 27 1 0 0 0 0 29 30 1 6 0 0 0 31 29 1 0 0 0 0 31 32 1 1 0 0 0 33 31 1 0 0 0 0 33 35 1 6 0 0 0 34 26 1 0 0 0 0 34 33 1 0 0 0 0 37 30 1 1 0 0 0 38 37 1 0 0 0 0 38 39 1 6 0 0 0 40 38 1 0 0 0 0 40 36 1 6 0 0 0 41 40 1 0 0 0 0 41 42 1 1 0 0 0 43 41 1 0 0 0 0 43 45 1 6 0 0 0 44 37 1 0 0 0 0 44 43 1 0 0 0 0 47 39 1 1 0 0 0 48 47 1 0 0 0 0 48 49 1 6 0 0 0 50 48 1 0 0 0 0 50 46 1 6 0 0 0 51 50 1 0 0 0 0 51 52 1 1 0 0 0 53 51 1 0 0 0 0 53 55 1 6 0 0 0 54 47 1 0 0 0 0 54 53 1 0 0 0 0 M END $$$$ 127517_p OpenBabel02171217032D 32 34 0 0 0 0 0 0 0 0999 V2000 7.5723 -3.5187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5723 -4.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8578 -3.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8578 -4.7562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1433 -3.5187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1433 -4.3437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2868 -3.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2868 -4.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8578 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 -4.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 -3.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 -3.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1433 -5.9937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1433 -6.8187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4288 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 -7.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 -5.9937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7143 -6.8187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8578 -7.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -7.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -5.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0012 -5.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7157 -4.7562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0012 -5.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4302 -5.1688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7157 -6.4062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4302 -5.9938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7158 -3.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1447 -4.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1446 -6.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7157 -7.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4302 -7.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 8 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 1 0 0 0 32 31 1 0 0 0 0 M END $$$$ 128161_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 15.4943 -2.9223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4943 -3.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7798 -2.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7798 -4.1598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0653 -2.9223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0653 -3.7473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2088 -2.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2585 -4.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7798 -4.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3509 -4.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3509 -2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6364 -2.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8582 -5.8545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8582 -6.6795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1437 -5.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1437 -7.0920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4292 -5.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4292 -6.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6819 -7.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1437 -7.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7147 -7.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7147 -5.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0003 -5.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3811 -8.8364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3811 -9.6614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6665 -8.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6665 -10.0739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9521 -8.8364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9521 -9.6614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6665 -10.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2376 -10.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2376 -8.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5231 -8.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1254 -10.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7449 -11.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7449 -12.5937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0304 -11.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0304 -13.0062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3159 -11.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3159 -12.5937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5687 -13.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0304 -13.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6015 -13.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6015 -11.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8870 -11.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2678 -14.7506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2678 -15.5756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5533 -14.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5533 -15.9881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8388 -14.7506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8388 -15.5756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9823 -15.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5533 -16.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 -15.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 -14.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4099 -14.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 19 1 6 0 0 0 25 27 1 0 0 0 0 25 34 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 1 0 0 0 28 29 1 0 0 0 0 28 32 1 1 0 0 0 29 31 1 6 0 0 0 33 32 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 34 1 1 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 6 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 41 1 1 0 0 0 47 49 1 0 0 0 0 47 52 1 1 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 55 1 0 0 0 0 M END $$$$ 128162_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 14.5699 -11.6196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5699 -12.4446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8554 -11.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8554 -12.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1409 -11.6196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1409 -12.4446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2844 -11.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2844 -12.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8554 -13.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4265 -12.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6153 -11.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2844 -13.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1409 -14.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7120 -12.4445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9976 -12.8570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7120 -11.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 -12.4445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9976 -11.2070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2831 -11.6195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9975 -13.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5686 -12.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5686 -11.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9976 -10.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2832 -9.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8541 -12.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5686 -10.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 10 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 1 0 0 0 18 19 1 0 0 0 0 18 23 1 1 0 0 0 19 22 1 6 0 0 0 21 25 1 0 0 0 0 24 23 1 0 0 0 0 24 26 1 0 0 0 0 M END $$$$ 128163_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 12.5522 -21.4699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5522 -22.2949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8376 -21.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8376 -22.7074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1232 -21.4699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1232 -22.2949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2666 -21.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2666 -22.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8376 -23.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4087 -22.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5975 -21.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2666 -23.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1231 -23.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6942 -22.2948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9798 -22.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6942 -21.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2653 -22.2948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9798 -21.0573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2653 -21.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9797 -23.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5508 -22.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5509 -21.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9798 -20.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2654 -19.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8363 -22.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5509 -20.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9811 -19.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2666 -20.2323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9810 -18.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5521 -19.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2666 -18.5823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5521 -18.9948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6955 -20.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8376 -20.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8376 -18.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2666 -17.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1232 -19.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 10 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 1 0 0 0 18 19 1 0 0 0 0 18 23 1 1 0 0 0 19 22 1 6 0 0 0 21 25 1 0 0 0 0 24 23 1 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 1 0 0 0 28 30 1 0 0 0 0 28 7 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 6 0 0 0 31 32 1 0 0 0 0 31 36 1 6 0 0 0 32 35 1 1 0 0 0 34 37 1 0 0 0 0 M END $$$$ 128164_p OpenBabel02171217032D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.5027 0.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 -0.0884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2171 -0.9134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5027 -1.3259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7882 -0.9134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7882 -0.0884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0737 0.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 -2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 -1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 -0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7882 -2.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3606 0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 0 0 0 0 3 11 1 6 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 6 0 0 0 6 7 1 1 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 12 14 1 0 0 0 0 M END $$$$ 130421_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 12.0070 -7.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0070 -8.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2926 -6.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2926 -8.4145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5782 -7.1769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5782 -8.0020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7215 -6.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7215 -8.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2926 -9.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -8.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -6.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4360 -8.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4360 -7.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1505 -8.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2926 -10.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2925 -11.7146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0070 -12.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5780 -12.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0070 -12.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5781 -12.9519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2926 -13.3645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7216 -11.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -13.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2926 -14.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8635 -13.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -14.1896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4359 -14.6022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0069 -14.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4358 -15.4273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0069 -15.4272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7214 -15.8397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1504 -14.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1502 -15.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7213 -16.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2924 -15.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2923 -16.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5782 -9.6519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5782 -10.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8637 -9.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -10.8896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1492 -9.6519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1492 -10.4771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4348 -10.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4348 -9.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -11.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 8 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 15 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 6 0 0 0 20 21 1 0 0 0 0 20 25 1 6 0 0 0 21 24 1 1 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 23 1 6 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 6 0 0 0 36 35 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 9 1 1 0 0 0 38 40 1 0 0 0 0 38 15 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 6 0 0 0 41 42 1 0 0 0 0 41 44 1 6 0 0 0 42 43 1 1 0 0 0 M END $$$$ 130422_p OpenBabel02171217032D 14 14 0 0 0 0 0 0 0 0999 V2000 12.0071 -7.1770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0071 -8.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2927 -6.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2927 -8.4146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5783 -7.1770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5783 -8.0021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7216 -6.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7216 -8.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2927 -9.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8638 -8.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8638 -6.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4361 -8.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4361 -7.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1506 -8.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 8 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 M END $$$$ 130644_p OpenBabel02171217032D 46 49 0 0 0 0 0 0 0 0999 V2000 6.5800 -3.3602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2946 -2.9477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5800 -4.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8656 -2.9477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2946 -2.1227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8656 -2.1227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1510 -3.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -1.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0088 -1.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0088 -3.3602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7234 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4378 -3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7234 -2.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -0.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 -2.1224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0077 -2.9474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4366 -2.9477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4366 -2.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -3.3599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7222 -1.7099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7221 -4.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -3.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -1.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 -0.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8654 -5.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8654 -6.2474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5800 -5.0099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2944 -5.4224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2942 -6.2474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5798 -6.6599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0088 -5.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0088 -6.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 -7.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 -6.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -4.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5787 -4.5974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0077 -4.5975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0077 -5.4224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2931 -5.8347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5787 -5.4224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7219 -5.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -6.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 -5.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -4.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 24 1 1 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 6 0 0 0 29 27 1 0 0 0 0 29 3 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 34 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 35 1 6 0 0 0 38 37 1 0 0 0 0 38 46 1 6 0 0 0 39 37 1 0 0 0 0 39 22 1 1 0 0 0 39 40 1 0 0 0 0 40 43 1 1 0 0 0 40 41 1 0 0 0 0 41 44 1 6 0 0 0 41 42 1 0 0 0 0 42 38 1 0 0 0 0 42 45 1 6 0 0 0 M END $$$$ 130645_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 13.8741 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8741 -7.9021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1596 -6.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 -8.3146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4452 -7.0771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4452 -7.9021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5886 -6.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5886 -8.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 -9.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7307 -8.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7307 -6.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0162 -7.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 -9.5521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4452 -10.3771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7306 -9.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7306 -10.7896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0162 -9.5521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0162 -10.3771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1596 -10.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7306 -11.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3017 -10.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3017 -9.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5872 -9.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 130646_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 6.0767 -0.5972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0767 -1.4222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3622 -0.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -1.8347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6477 -0.5972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6477 -1.4222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7912 -0.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -2.6597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -1.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -0.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7912 -2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0767 -3.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7912 -1.8347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5056 -3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -2.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2188 -3.0722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5043 -1.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -3.4847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7899 -2.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7899 -3.0722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9333 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -4.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -2.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 14 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 9 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 M END $$$$ 130647_p OpenBabel02171217032D 68 72 0 0 0 0 0 0 0 0999 V2000 16.6148 -6.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3294 -6.5613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3295 -5.7363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0517 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0519 -5.3219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6150 -5.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7703 -6.5614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7703 -5.7365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0483 -4.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4773 -6.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4774 -5.3221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1945 -5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9063 -5.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1999 -6.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1875 -7.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9010 -8.2117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6147 -7.7979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9082 -9.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3356 -8.2148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6238 -9.4581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3375 -9.0443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0506 -7.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6233 -10.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0507 -9.4481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0576 -10.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7756 -10.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 -10.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3243 -7.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0369 -8.2101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7516 -7.7980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0421 -9.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4715 -8.2166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7536 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7567 -9.4582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4713 -9.0461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7543 -10.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1836 -9.4515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1886 -10.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9056 -10.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4767 -10.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8933 -6.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 -7.7989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6091 -8.2096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1780 -8.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6090 -9.0424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1764 -9.0486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8919 -9.4592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3296 -9.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4684 -9.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8994 -10.2788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -10.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1963 -11.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 -10.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8935 -5.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1788 -5.7353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1788 -6.5603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4566 -5.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4564 -6.9747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7380 -5.7352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7379 -6.5601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4600 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 -5.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0308 -6.9746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3137 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 -6.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5872 -5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6035 -3.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 1 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 68 1 0 0 0 0 7 10 1 1 0 0 0 7 8 1 0 0 0 0 8 11 1 6 0 0 0 11 12 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 1 1 1 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 1 0 0 0 20 23 1 1 0 0 0 20 21 1 0 0 0 0 21 24 1 6 0 0 0 24 25 1 0 0 0 0 26 25 1 0 0 0 0 27 25 2 0 0 0 0 29 28 1 6 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 1 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 32 15 1 1 0 0 0 34 36 1 1 0 0 0 34 35 1 0 0 0 0 35 37 1 6 0 0 0 37 38 1 0 0 0 0 39 38 1 0 0 0 0 40 38 2 0 0 0 0 42 41 1 6 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 28 1 1 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 1 0 0 0 46 49 1 1 0 0 0 46 47 1 0 0 0 0 47 50 1 6 0 0 0 50 51 1 0 0 0 0 52 51 1 0 0 0 0 53 51 2 0 0 0 0 54 67 1 0 0 0 0 55 54 1 6 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 56 41 1 1 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 1 0 0 0 59 62 1 1 0 0 0 59 60 1 0 0 0 0 60 63 1 6 0 0 0 63 64 1 0 0 0 0 65 64 1 0 0 0 0 66 64 2 0 0 0 0 M END $$$$ 130648_p OpenBabel02171217032D 15 15 0 0 0 0 0 0 0 0999 V2000 6.0667 -2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7674 -2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.4813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3580 -3.9036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3661 -4.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 -3.5009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9487 -3.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 -2.6759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3580 -2.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 -2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2319 -2.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7754 -3.8839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 -3.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -3.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 -2.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 12 1 6 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 10 1 1 0 0 0 9 1 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 M END $$$$ 130649_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 9.5063 -11.6796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5063 -12.5046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7918 -11.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 -12.9171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0773 -11.6796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0773 -12.5046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2207 -11.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2207 -12.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 -13.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3629 -12.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3629 -11.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6484 -11.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 -9.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9353 -10.0297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2207 -8.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2207 -10.4421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5063 -9.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5063 -10.0297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6497 -8.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6497 -10.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 -10.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 -8.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0774 -9.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7931 -7.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7931 -8.3796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0786 -7.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0786 -8.7921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3642 -7.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3642 -8.3796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5075 -7.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5075 -8.7921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0786 -9.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6497 -7.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 -7.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2221 -8.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2221 -7.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9364 -8.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 19 1 6 0 0 0 31 35 1 0 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M RAD 1 24 2 M END $$$$ 130650_p OpenBabel02171217032D 17 17 0 0 0 0 0 0 0 0999 V2000 0.8874 -0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 -1.1034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1729 -1.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 -0.6909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2561 -1.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 0.5466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2561 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 0.1341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5416 0.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 0.1341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8874 0.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 1 0 0 0 4 11 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 6 1 0 0 0 0 11 7 1 0 0 0 0 11 12 1 6 0 0 0 14 13 2 0 0 0 0 14 15 1 0 0 0 0 16 1 1 0 0 0 0 16 6 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 M END $$$$ 130651_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 9.1901 -5.4794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1901 -6.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4756 -5.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4756 -6.7169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7611 -5.4794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7611 -6.3044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9046 -5.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4756 -7.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 -6.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 -5.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3323 -5.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9046 -6.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3323 -7.1293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3323 -7.9543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6177 -6.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -8.3668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9034 -7.1293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9034 -7.9543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0467 -8.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -9.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 -8.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 -6.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 -7.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 12 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 130652_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 10.9233 -5.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3522 -5.6152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0667 -5.2027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3522 -6.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -5.2027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0667 -4.3777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6378 -4.3777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3522 -3.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 -3.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -3.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 -5.6152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4957 -5.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 -5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4957 -4.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -3.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2088 -7.6777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9233 -8.0902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6378 -6.8526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9233 -6.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -7.6777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2088 -6.8526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3522 -8.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -8.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 -8.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 -6.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 -5.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6377 -9.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6377 -10.1527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3522 -8.9152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0666 -9.3276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0666 -10.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3522 -10.5652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7810 -8.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7811 -10.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3522 -11.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9232 -10.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 1 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 6 0 0 0 5 7 1 0 0 0 0 5 1 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 1 0 0 0 7 10 1 1 0 0 0 7 8 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 24 1 1 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 4 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 6 0 0 0 29 27 1 0 0 0 0 29 30 1 0 0 0 0 29 22 1 1 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 34 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 35 1 6 0 0 0 M END $$$$ 130653_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 10.2089 -4.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 -3.9651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2089 -5.2027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4944 -5.6151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7799 -5.2026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7799 -4.3776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4943 -6.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0655 -5.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0655 -3.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 -3.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -5.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3522 -5.6152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0667 -5.2027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3522 -6.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -5.2027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0667 -4.3777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6378 -4.3777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3522 -3.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 -3.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -3.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 -5.6152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4957 -5.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 -5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4957 -4.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -3.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3522 -8.9152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0667 -8.5027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3522 -7.2652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6378 -7.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 -7.6777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6378 -8.5027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7811 -7.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 -8.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3523 -9.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -8.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 -8.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 1 0 0 0 4 7 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 6 0 0 0 15 17 1 0 0 0 0 15 11 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 20 1 1 0 0 0 17 18 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 26 34 1 1 0 0 0 27 26 1 0 0 0 0 27 33 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 14 1 1 0 0 0 29 31 1 0 0 0 0 30 27 1 0 0 0 0 30 32 1 6 0 0 0 31 26 1 0 0 0 0 31 35 1 1 0 0 0 35 36 1 0 0 0 0 M END $$$$ 130654_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 11.0731 -5.1705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7876 -4.7580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0731 -5.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3587 -4.7580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7876 -3.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3587 -3.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6442 -5.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0731 -3.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5020 -3.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6442 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5020 -5.1705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2165 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9309 -5.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2165 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6442 -2.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 -3.9329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5008 -4.7579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9297 -4.7580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9297 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 -5.1704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2153 -3.5204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2152 -5.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7863 -5.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7864 -3.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 -2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5009 -2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 -7.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3585 -8.0579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0731 -6.8204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7875 -7.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7874 -8.0579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0730 -8.4704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5020 -6.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5019 -8.4705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0730 -9.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 -8.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 24 1 1 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 6 0 0 0 29 27 1 0 0 0 0 29 3 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 34 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 35 1 6 0 0 0 M END $$$$ 130655_p OpenBabel02171217032D 28 29 0 0 0 0 0 0 0 0999 V2000 13.1660 -3.8989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1660 -4.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4515 -3.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4515 -5.1364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7371 -3.8989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7371 -4.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8805 -3.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4515 -5.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0227 -5.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0227 -3.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 -3.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8805 -5.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1660 -6.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8805 -5.1364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5949 -6.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 -5.5489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3082 -6.3739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5937 -5.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5937 -6.7863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8793 -5.5489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8793 -6.3739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0227 -6.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5937 -7.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -6.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -5.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4504 -5.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7357 -3.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5278 -7.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 14 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 7 27 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 9 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 23 28 1 0 0 0 0 26 25 1 0 0 0 0 M END $$$$ 130656_p OpenBabel02171217032D 101108 0 0 0 0 0 0 0 0999 V2000 8.9707 -6.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6853 -7.2402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6853 -8.0651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3997 -8.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -8.4775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9707 -9.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 -8.0650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5419 -8.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2564 -6.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 -7.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8274 -7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 -6.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5419 -6.8276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5419 -6.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 -6.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 -7.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3986 -8.0650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1129 -8.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 -8.4775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6841 -9.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9695 -8.0650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2552 -8.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 -6.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9695 -7.2400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5408 -7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8262 -6.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 -6.8275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2552 -6.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -6.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8286 -4.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -4.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -4.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -5.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8286 -6.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -6.0026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6853 -5.5901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9709 -6.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6853 -3.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6853 -4.7651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2564 -4.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5419 -4.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9709 -4.3527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9709 -3.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 -9.7151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2563 -10.5401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5417 -9.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -10.9526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8273 -9.7151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8273 -10.5401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9707 -10.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -11.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1128 -10.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1128 -9.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 -9.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 -10.1276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6839 -10.9526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9693 -9.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 -11.3651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2549 -10.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2549 -10.9526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3983 -11.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 -12.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 -11.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 -9.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 -10.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -12.6026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2562 -13.0151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8272 -13.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2562 -13.8402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8272 -13.8402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5417 -14.2527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9707 -12.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9706 -14.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -15.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1127 -14.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1127 -15.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6852 -13.0152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3997 -12.6027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6852 -13.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -13.0153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3996 -14.2527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1141 -13.8403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3997 -11.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8286 -12.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8286 -14.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3996 -15.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1141 -15.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -11.3652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1142 -10.5402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8287 -11.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8287 -10.1277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5432 -11.3652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5432 -10.5402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3997 -10.1277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8287 -9.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2576 -10.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2576 -11.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9721 -11.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 -9.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6852 -8.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -8.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 29 1 6 0 0 0 3 2 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 10 7 1 0 0 0 0 10 9 1 6 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 11 1 0 0 0 0 13 14 1 6 0 0 0 15 24 1 0 0 0 0 15 16 1 0 0 0 0 16 12 1 6 0 0 0 17 16 1 0 0 0 0 17 18 1 1 0 0 0 19 17 1 0 0 0 0 19 20 1 1 0 0 0 21 19 1 0 0 0 0 21 22 1 6 0 0 0 24 21 1 0 0 0 0 24 23 1 6 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 27 25 1 0 0 0 0 27 28 1 6 0 0 0 31 39 1 0 0 0 0 31 32 1 0 0 0 0 32 30 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 1 0 0 0 35 33 1 0 0 0 0 35 29 1 1 0 0 0 36 35 1 0 0 0 0 36 37 1 6 0 0 0 39 36 1 0 0 0 0 39 38 1 6 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 42 40 1 0 0 0 0 42 43 1 6 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 6 1 6 0 0 0 45 47 1 0 0 0 0 45 50 1 6 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 1 0 0 0 48 49 1 0 0 0 0 48 53 1 1 0 0 0 49 52 1 6 0 0 0 54 53 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 54 1 6 0 0 0 56 58 1 0 0 0 0 56 61 1 6 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 58 62 1 1 0 0 0 59 60 1 0 0 0 0 59 64 1 1 0 0 0 60 63 1 1 0 0 0 65 64 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 51 1 6 0 0 0 67 69 1 0 0 0 0 67 72 1 6 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 69 73 1 1 0 0 0 70 71 1 0 0 0 0 70 75 1 1 0 0 0 71 74 1 1 0 0 0 76 75 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 77 72 1 6 0 0 0 78 80 1 0 0 0 0 78 83 1 6 0 0 0 79 81 1 0 0 0 0 80 82 1 0 0 0 0 80 84 1 1 0 0 0 81 82 1 0 0 0 0 81 86 1 1 0 0 0 82 85 1 6 0 0 0 87 86 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 88 83 1 6 0 0 0 89 91 1 0 0 0 0 89 94 1 6 0 0 0 90 92 1 0 0 0 0 91 93 1 0 0 0 0 91 95 1 1 0 0 0 92 93 1 0 0 0 0 92 97 1 1 0 0 0 93 96 1 6 0 0 0 94 99 1 0 0 0 0 98 97 1 0 0 0 0 100 99 2 0 0 0 0 101 99 1 0 0 0 0 M END $$$$ 130657_p OpenBabel02171217032D 49 51 0 0 0 0 0 0 0 0999 V2000 16.3693 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6548 -3.9548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3704 -4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6558 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6560 -5.1928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6560 -6.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9414 -4.7803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3704 -3.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9414 -3.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0837 -3.9548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0837 -4.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 -5.1923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6548 -4.7798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -3.5428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -5.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5124 -3.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2274 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0837 -3.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7982 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7982 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0850 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6560 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3705 -3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0850 -2.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2271 -4.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9404 -3.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3692 -6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9403 -5.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6548 -3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5115 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -3.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9404 -2.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7994 -4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2283 -4.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7994 -3.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5138 -3.5428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5138 -5.1928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2283 -3.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9428 -3.5430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5138 -2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6572 -3.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9428 -2.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3716 -3.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5137 -6.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9427 -5.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2282 -5.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2281 -6.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2283 -3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 30 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 2 1 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 36 34 1 0 0 0 0 36 22 1 1 0 0 0 37 36 1 0 0 0 0 37 41 1 1 0 0 0 38 35 1 0 0 0 0 38 34 1 0 0 0 0 38 45 1 6 0 0 0 38 47 1 0 0 0 0 39 37 1 0 0 0 0 39 35 1 0 0 0 0 39 40 1 0 0 0 0 39 49 1 6 0 0 0 40 42 1 0 0 0 0 40 43 1 6 0 0 0 42 44 1 0 0 0 0 47 46 1 0 0 0 0 47 48 2 0 0 0 0 M END $$$$ 130658_p OpenBabel02171217032D 33 34 0 0 0 0 0 0 0 0999 V2000 16.3692 -3.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6547 -3.9547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3703 -4.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6557 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6559 -5.1927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6559 -6.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9413 -4.7803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3703 -3.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9413 -3.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0836 -3.9547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0836 -4.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3692 -5.1923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6547 -4.7797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -3.5427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -5.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5123 -3.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2273 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0836 -3.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7981 -3.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3692 -2.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7981 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0849 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6559 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3704 -3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0849 -2.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2271 -4.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9403 -3.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3691 -6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9402 -5.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6547 -3.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5114 -3.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2259 -3.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9403 -2.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 30 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 2 1 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 M END $$$$ 130659_p OpenBabel02171217032D 33 34 0 0 0 0 0 0 0 0999 V2000 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 0.8248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -2.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 0.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 30 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 6 1 6 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 6 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 2 1 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 M END $$$$ 130660_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 14.8383 -4.1052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8383 -4.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1238 -3.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1238 -5.3427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4094 -4.1052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4094 -4.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5527 -3.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5527 -5.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1238 -6.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 -5.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9804 -4.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4093 -6.5802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4093 -7.4052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6948 -6.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 -7.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9803 -6.5802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9803 -7.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1238 -7.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2658 -7.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2658 -6.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 M END $$$$ 130661_p OpenBabel02171217032D 65 68 0 0 0 0 0 0 0 0999 V2000 15.0516 -9.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3371 -9.7637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0528 -10.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3382 -9.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3384 -11.0018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3384 -11.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6238 -10.5893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0528 -9.7643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6238 -9.7643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7660 -9.7637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7660 -10.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0516 -11.0013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3371 -10.5887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9096 -9.3518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9096 -11.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1947 -9.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9097 -8.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7660 -8.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 -9.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0516 -8.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 -8.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6351 -8.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6227 -9.3512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0515 -11.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6227 -11.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3371 -8.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1939 -9.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9083 -9.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6227 -8.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8461 -12.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1316 -12.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5605 -12.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5605 -13.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8461 -13.7740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1316 -13.3613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4172 -12.1238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8460 -14.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4171 -13.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1316 -11.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 -12.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7028 -12.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4172 -11.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3480 -12.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9547 -12.2230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5290 -13.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5356 -9.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8442 -9.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4417 -9.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0381 -10.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7410 -6.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5356 -6.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8211 -6.9528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2501 -6.9528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2501 -7.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5356 -8.1904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8211 -7.7778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1067 -6.5401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1066 -8.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8211 -6.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6778 -6.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3923 -6.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1067 -5.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0376 -7.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 -6.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2186 -8.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 26 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 46 1 6 0 0 0 8 47 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 22 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 12 11 1 0 0 0 0 12 24 1 1 0 0 0 13 12 1 0 0 0 0 13 25 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 23 2 1 0 0 0 0 23 29 1 1 0 0 0 23 28 1 0 0 0 0 28 27 1 0 0 0 0 31 30 1 0 0 0 0 31 39 1 6 0 0 0 31 35 1 0 0 0 0 32 30 1 0 0 0 0 32 33 1 0 0 0 0 32 24 1 6 0 0 0 32 43 1 0 0 0 0 34 33 1 0 0 0 0 34 37 1 1 0 0 0 35 34 1 0 0 0 0 35 38 1 1 0 0 0 36 31 1 0 0 0 0 36 42 1 1 0 0 0 36 41 1 0 0 0 0 41 40 1 0 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 48 47 2 0 0 0 0 49 47 1 0 0 0 0 52 51 1 0 0 0 0 52 59 1 6 0 0 0 52 56 1 0 0 0 0 53 51 1 0 0 0 0 53 54 1 0 0 0 0 53 50 1 6 0 0 0 53 63 1 0 0 0 0 55 54 1 0 0 0 0 55 46 1 1 0 0 0 56 55 1 0 0 0 0 56 58 1 1 0 0 0 57 52 1 0 0 0 0 57 62 1 1 0 0 0 57 61 1 0 0 0 0 61 60 1 0 0 0 0 64 63 2 0 0 0 0 65 63 1 0 0 0 0 M END $$$$ 130662_p OpenBabel02171217032D 63 66 0 0 0 0 0 0 0 0999 V2000 8.2007 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -7.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9151 -7.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9151 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2007 -8.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4862 -8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7718 -6.7623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2006 -9.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7717 -8.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -6.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0574 -7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -5.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 -5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4059 -3.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 -5.6398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4061 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 -5.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1205 -4.4023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6915 -4.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9773 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9773 -5.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 -4.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 -3.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -3.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 -3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 -3.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6930 -4.8148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9784 -3.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 -5.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2640 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2640 -4.8148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4074 -3.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4074 -5.2273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 -6.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 -5.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 -3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4074 -6.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1219 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 -6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7026 -7.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3092 -6.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8836 -8.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9952 -9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -9.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7096 -9.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7096 -10.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9952 -11.1852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2807 -10.7726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5663 -9.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9951 -12.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 -11.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -9.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 -9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 -9.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 -8.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4971 -10.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -9.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 -10.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 6 0 0 0 3 45 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 22 1 1 0 0 0 19 15 1 0 0 0 0 19 14 1 0 0 0 0 19 26 1 6 0 0 0 19 28 1 0 0 0 0 20 18 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 1 0 0 0 23 25 1 0 0 0 0 26 41 1 0 0 0 0 28 27 1 0 0 0 0 28 29 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 1 0 0 0 32 34 1 0 0 0 0 32 38 1 6 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 39 1 1 0 0 0 35 36 1 0 0 0 0 35 41 1 1 0 0 0 36 40 1 6 0 0 0 38 42 1 0 0 0 0 43 42 2 0 0 0 0 44 42 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 49 48 1 0 0 0 0 49 57 1 6 0 0 0 49 53 1 0 0 0 0 50 48 1 0 0 0 0 50 51 1 0 0 0 0 50 8 1 6 0 0 0 50 61 1 0 0 0 0 52 51 1 0 0 0 0 52 55 1 1 0 0 0 53 52 1 0 0 0 0 53 56 1 1 0 0 0 54 49 1 0 0 0 0 54 60 1 1 0 0 0 54 59 1 0 0 0 0 59 58 1 0 0 0 0 62 61 2 0 0 0 0 63 61 1 0 0 0 0 M END $$$$ 130663_p OpenBabel02171217032D 47 49 0 0 0 0 0 0 0 0999 V2000 5.1193 -3.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 -4.4017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1205 -5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4059 -3.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 -5.6398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4061 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 -5.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1205 -4.4023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6915 -4.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8337 -4.4017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8337 -5.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 -5.6393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4048 -5.2267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9773 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9773 -5.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 -4.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8337 -3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 -3.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 -3.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 -3.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -3.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 -3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 -3.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -3.9892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1192 -6.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -5.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 -3.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -3.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -3.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6930 -4.8148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9784 -3.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 -5.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2640 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2640 -4.8148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4074 -3.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4074 -5.2273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 -6.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 -5.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 -3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4074 -6.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1219 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 -6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 30 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 22 44 1 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 2 1 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 1 0 0 0 35 37 1 0 0 0 0 35 41 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 39 1 0 0 0 0 38 44 1 1 0 0 0 39 43 1 6 0 0 0 41 45 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 M END $$$$ 130664_p OpenBabel02171217032D 19 19 0 0 0 0 0 0 0 0999 V2000 1.5911 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8766 -0.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5911 -0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3055 -0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3055 0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0200 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 -0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 -0.6188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9813 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 1 0 0 0 3 4 1 0 0 0 0 3 8 1 6 0 0 0 4 5 1 0 0 0 0 4 10 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 6 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 1 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ 130665_p OpenBabel02171217032D 34 35 0 0 0 0 0 0 0 0999 V2000 22.5489 -34.5516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2729 -34.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5489 -35.4231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2528 -35.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8249 -35.8186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8517 -36.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1210 -35.4163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3970 -35.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0942 -34.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8451 -34.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1746 -37.0654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1745 -37.9369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9052 -38.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4505 -38.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7198 -37.9771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0428 -38.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7199 -37.1056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3970 -36.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0160 -36.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7466 -38.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0226 -39.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0494 -40.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3454 -40.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3722 -41.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6482 -41.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6482 -42.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4773 -39.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2013 -38.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8002 -40.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4773 -40.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6416 -40.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0761 -41.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9176 -41.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9711 -43.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 6 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 6 0 0 0 12 11 1 0 0 0 0 12 13 1 6 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 1 0 0 0 17 15 1 0 0 0 0 17 19 1 1 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 20 15 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 20 1 0 0 0 0 28 27 1 0 0 0 0 29 22 1 0 0 0 0 30 29 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 25 1 0 0 0 0 34 26 1 0 0 0 0 M END $$$$ 130666_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 11.4005 -7.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4005 -8.2711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6844 -8.6807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9806 -8.2726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9806 -7.4476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2646 -7.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 -4.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4021 -4.9740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8311 -4.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8311 -5.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1166 -6.2114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4021 -5.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5454 -4.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5454 -6.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 -7.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6878 -6.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6877 -4.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1289 -8.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0224 -9.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2646 -8.6822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6968 -7.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 -8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8356 -8.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 -7.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 -8.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8324 -9.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 -9.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 -9.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1273 -9.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 18 1 6 0 0 0 3 2 1 0 0 0 0 3 19 1 6 0 0 0 3 28 1 1 0 0 0 4 3 1 0 0 0 0 4 20 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 8 7 1 0 0 0 0 8 17 1 6 0 0 0 9 7 1 0 0 0 0 9 13 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 1 0 0 0 10 11 1 0 0 0 0 11 15 1 6 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 12 16 1 6 0 0 0 15 1 1 0 0 0 0 18 29 1 0 0 0 0 20 22 1 0 0 0 0 21 1 1 0 0 0 0 21 5 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$ 130667_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 5.3067 -13.7240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3067 -14.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5907 -14.9586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8869 -14.5505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8869 -13.7255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1708 -13.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 -11.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 -12.0768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0229 -10.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0229 -12.4893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3084 -11.2518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3084 -12.0768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4519 -10.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -12.4893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0229 -13.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 -12.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 -10.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1663 -12.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1664 -11.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8808 -12.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 -14.9715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -15.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -14.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -13.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 -12.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -13.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7505 -14.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 -13.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 -14.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 1 0 0 0 2 1 1 0 0 0 0 2 21 1 1 0 0 0 3 2 1 0 0 0 0 3 22 1 6 0 0 0 4 3 1 0 0 0 0 4 23 1 6 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 1 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 12 16 1 6 0 0 0 14 18 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 27 1 0 0 0 0 24 1 1 0 0 0 0 24 5 1 0 0 0 0 25 6 1 0 0 0 0 26 6 2 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 130668_p OpenBabel02171217032D 46 49 0 0 0 0 0 0 0 0999 V2000 12.0015 -24.9104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0047 -24.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7159 -25.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4337 -24.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7126 -26.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4271 -26.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9949 -26.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9916 -27.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2804 -26.1479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2837 -25.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 -26.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2903 -22.8479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2903 -23.6729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5758 -22.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5758 -24.0854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8613 -22.8479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8613 -23.6729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0047 -22.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5758 -24.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1468 -24.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1468 -22.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4324 -22.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7193 -20.3729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7193 -21.1979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0047 -19.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0047 -21.6104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2903 -20.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2903 -21.1979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4337 -19.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4337 -21.6104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5758 -21.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5758 -19.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8614 -20.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1482 -21.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1483 -20.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8627 -21.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1458 -17.8993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8610 -17.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1474 -18.7243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8643 -19.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4321 -19.1354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7152 -18.7215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9999 -19.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7136 -17.8965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4288 -17.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0090 -17.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 6 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 0 0 0 0 9 11 1 6 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 2 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 18 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 30 34 1 0 0 0 0 33 32 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 37 38 1 1 0 0 0 39 37 1 0 0 0 0 39 40 1 6 0 0 0 41 39 1 0 0 0 0 41 29 1 6 0 0 0 42 41 1 0 0 0 0 42 43 1 1 0 0 0 44 42 1 0 0 0 0 44 46 1 6 0 0 0 45 37 1 0 0 0 0 45 44 1 0 0 0 0 M END $$$$ 130669_p OpenBabel02171217032D 22 23 0 0 0 0 0 0 0 0999 V2000 21.7921 -20.5369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5066 -20.9494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5033 -21.7744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7855 -22.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0711 -21.7744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3657 -22.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7954 -19.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2243 -20.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2178 -22.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7823 -23.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0743 -20.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0809 -18.4744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0809 -19.2994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3664 -18.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3664 -19.7119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6520 -18.4744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6520 -19.2994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7954 -18.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3664 -20.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9375 -19.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9375 -18.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2230 -18.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 2 1 0 0 0 0 3 9 1 6 0 0 0 4 3 1 0 0 0 0 4 10 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 11 1 1 0 0 0 0 11 5 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 M END $$$$ 130670_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 14.8662 -4.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1517 -4.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4373 -4.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1517 -5.3462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4373 -5.7587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4373 -6.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7229 -5.3462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0084 -5.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2939 -4.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5794 -4.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0084 -4.1087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0084 -3.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7229 -4.5212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7229 -3.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8662 -5.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8649 -4.5212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1504 -4.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8649 -5.3462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1504 -5.7587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1504 -6.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -5.3462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7216 -5.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0072 -4.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2927 -4.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7216 -4.1087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7216 -3.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -4.5212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4360 -3.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5794 -5.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 3 2 1 0 0 0 0 3 13 1 0 0 0 0 4 2 1 0 0 0 0 4 15 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 10 1 0 0 0 0 11 9 1 0 0 0 0 11 12 1 6 0 0 0 13 7 1 0 0 0 0 13 11 1 0 0 0 0 13 14 1 6 0 0 0 16 10 1 6 0 0 0 17 16 1 0 0 0 0 17 27 1 0 0 0 0 18 16 1 0 0 0 0 18 29 1 1 0 0 0 19 18 1 0 0 0 0 19 20 1 1 0 0 0 21 19 1 0 0 0 0 21 22 1 6 0 0 0 23 24 1 0 0 0 0 25 23 1 0 0 0 0 25 26 1 6 0 0 0 27 21 1 0 0 0 0 27 25 1 0 0 0 0 27 28 1 6 0 0 0 M RAD 1 2 2 M END $$$$ 130671_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 19.4205 -12.7428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4205 -13.5678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7060 -12.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7060 -13.9803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9916 -12.7428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9916 -13.5678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1350 -12.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1350 -13.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7060 -14.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2771 -13.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2771 -12.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9915 -15.2178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9915 -16.0428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2770 -14.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2770 -16.4553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5625 -15.2178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5625 -16.0428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7060 -16.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2770 -17.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8481 -16.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8481 -14.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5625 -17.6928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5625 -18.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8480 -17.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8480 -18.9303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1335 -17.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1335 -18.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2770 -18.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8480 -19.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4191 -18.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4191 -17.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7046 -17.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1185 -17.1697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9435 -17.1697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7060 -17.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3560 -17.8842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1185 -18.5987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9435 -18.5987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3560 -16.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1810 -17.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3561 -19.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7061 -19.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1810 -16.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5935 -15.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5936 -17.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4185 -15.7408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4185 -17.1697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8310 -16.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1810 -15.0263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8310 -15.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6560 -16.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8311 -17.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6561 -17.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5935 -14.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1810 -13.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4185 -14.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 9 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 19 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 32 31 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 18 1 1 0 0 0 34 36 1 0 0 0 0 34 39 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 6 0 0 0 37 38 1 0 0 0 0 37 42 1 6 0 0 0 38 41 1 1 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 39 1 1 0 0 0 44 46 1 0 0 0 0 44 49 1 6 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 50 1 1 0 0 0 47 48 1 0 0 0 0 47 52 1 1 0 0 0 48 51 1 6 0 0 0 49 54 1 0 0 0 0 53 52 1 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 M END $$$$ 130672_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 41.4042 -4.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6897 -5.3898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 40.6897 -6.2149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 41.4042 -6.6274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 42.1186 -6.2149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 42.1186 -5.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8331 -4.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.8331 -6.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4042 -7.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9752 -6.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9752 -4.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6897 -7.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9752 -7.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2608 -7.8649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 39.2608 -8.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 39.9752 -9.1024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 40.6897 -8.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 41.4042 -9.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1186 -8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5627 -9.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3877 -9.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5463 -9.1024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.8318 -8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1173 -9.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4029 -8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8318 -7.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1173 -9.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8318 -10.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5463 -7.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 1 0 0 0 3 4 1 0 0 0 0 3 10 1 1 0 0 0 4 5 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 8 1 6 0 0 0 6 7 1 0 0 0 0 9 12 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 6 0 0 0 15 16 1 0 0 0 0 15 22 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 16 21 1 6 0 0 0 17 12 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ 130675_p OpenBabel02171217032D 132139 0 0 0 0 0 0 0 0999 V2000 14.9464 -9.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4936 -7.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9464 -10.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6448 -8.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2200 -9.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4936 -7.0681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6727 -10.4485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3712 -9.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8232 -6.6491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1921 -6.6491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3712 -10.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6727 -11.2866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0696 -8.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8232 -5.8109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0968 -7.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1921 -5.8109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8905 -7.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0696 -10.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9743 -11.6778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3991 -11.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4936 -5.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0968 -5.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3704 -7.4872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8905 -5.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7960 -10.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2759 -11.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9743 -12.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3704 -8.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6441 -7.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5889 -4.9728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7960 -9.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4944 -10.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2759 -12.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6441 -8.7443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0968 -8.7443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -7.4872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5889 -4.1906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3153 -5.4198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9177 -8.3253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6441 -9.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0968 -9.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1913 -7.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3153 -3.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8905 -3.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0137 -4.9728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2874 -6.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1913 -8.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8232 -9.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3704 -9.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0137 -4.1906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7401 -5.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7401 -3.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6613 -8.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9965 -10.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3991 -10.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1641 -4.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3704 -5.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4929 -7.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3811 -12.6555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6827 -12.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2472 -11.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3811 -13.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 -13.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 -12.6555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2472 -11.1749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6827 -13.8847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7780 -12.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 -13.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 -13.4657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5208 -10.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9456 -10.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6827 -14.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5208 -9.9456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8224 -11.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9456 -9.9456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2472 -9.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 -9.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 -12.2085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2020 -11.3704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4477 -10.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 -13.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4477 -12.6555 0.0000 O 0 0 0 0 0 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2966 -8.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 -11.7336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 -12.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 -13.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2966 -13.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 -9.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 -9.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7214 -9.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 -13.3819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8733 -13.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2422 -13.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8733 -14.6112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2422 -14.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5717 -14.9743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9127 -15.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1469 -15.0023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4485 -14.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7221 -14.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -14.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8733 -15.3934 0.0000 H 0 0 0 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1 0 0 0 0 70 67 1 6 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 70 73 1 1 0 0 0 71 74 1 0 0 0 0 72 75 1 0 0 0 0 73 76 1 0 0 0 0 73 77 2 0 0 0 0 74 78 1 0 0 0 0 74 80 1 0 0 0 0 74 84 1 1 0 0 0 75 79 1 6 0 0 0 75 78 1 0 0 0 0 78 87 1 1 0 0 0 80 81 1 0 0 0 0 80 85 1 6 0 0 0 81 82 1 0 0 0 0 81 86 1 1 0 0 0 82 83 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 2 0 0 0 0 91 26 1 6 0 0 0 91 92 1 0 0 0 0 91 93 1 0 0 0 0 91109 1 1 0 0 0 92 94 1 0 0 0 0 93 95 1 0 0 0 0 94 96 1 0 0 0 0 94 98 1 0 0 0 0 94102 1 1 0 0 0 95 97 1 6 0 0 0 95 96 1 0 0 0 0 96105 1 1 0 0 0 98 99 1 0 0 0 0 98103 1 6 0 0 0 99100 1 0 0 0 0 99104 1 1 0 0 0 100101 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106108 2 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 M END $$$$ 130681_p OpenBabel02171217032D 90 95 0 0 0 0 0 0 0 0999 V2000 10.4083 -12.4051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6820 -12.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0788 -12.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6820 -13.6344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0788 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -11.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9717 -5.7230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6981 -6.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6981 -5.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9544 -11.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3570 -12.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1157 -5.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2857 -7.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -9.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 1 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 53 1 0 0 0 0 5 54 2 0 0 0 0 6 2 1 1 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 55 1 1 0 0 0 8 13 1 6 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 1 0 0 0 10 16 1 0 0 0 0 10 17 1 6 0 0 0 11 18 1 1 0 0 0 12 19 1 0 0 0 0 12 20 1 6 0 0 0 14 21 1 0 0 0 0 14 22 1 1 0 0 0 16 24 1 1 0 0 0 16 21 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 22 57 1 0 0 0 0 23 15 1 1 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 28 35 1 6 0 0 0 29 36 1 0 0 0 0 30 24 1 6 0 0 0 30 37 1 0 0 0 0 30 38 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 1 0 0 0 35 41 1 0 0 0 0 36 42 1 1 0 0 0 36 39 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 1 0 0 0 38 45 1 0 0 0 0 38 46 1 1 0 0 0 39 47 1 1 0 0 0 41 48 1 0 0 0 0 41 49 2 0 0 0 0 42 58 1 0 0 0 0 43 50 1 0 0 0 0 44 56 1 0 0 0 0 45 51 1 6 0 0 0 45 50 1 0 0 0 0 50 52 1 1 0 0 0 M END $$$$ 130684_p OpenBabel02171217032D 79 83 0 0 0 0 0 0 0 0999 V2000 6.9833 -8.5381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5304 -7.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -9.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 -8.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 -8.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5304 -6.3586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7098 -9.7397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4085 -8.5381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8598 -5.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2289 -5.9395 0.0000 C 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8689 -7.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 48 1 1 0 0 0 2 4 1 0 0 0 0 2 5 1 1 0 0 0 3 6 1 0 0 0 0 3 7 1 6 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 6 11 1 1 0 0 0 6 8 1 0 0 0 0 9 35 1 0 0 0 0 10 5 1 1 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 6 0 0 0 13 17 1 0 0 0 0 14 11 1 6 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 1 0 0 0 16 22 1 0 0 0 0 17 23 1 1 0 0 0 17 20 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 1 0 0 0 19 26 1 0 0 0 0 19 27 1 1 0 0 0 20 28 1 1 0 0 0 22 29 1 0 0 0 0 22 30 2 0 0 0 0 23 36 1 0 0 0 0 24 31 1 0 0 0 0 25 34 1 0 0 0 0 26 32 1 6 0 0 0 26 31 1 0 0 0 0 31 33 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 1 0 0 0 40 43 1 0 0 0 0 40 46 1 6 0 0 0 41 44 1 0 0 0 0 41 45 1 1 0 0 0 43 21 1 1 0 0 0 43 44 1 0 0 0 0 45 47 1 0 0 0 0 M END $$$$ 130686_p OpenBabel02171217032D 111117 0 0 0 0 0 0 0 0999 V2000 12.3286 -8.6055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7526 -6.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2727 -4.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1781 -9.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6581 -10.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3565 -11.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7526 -7.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0262 -6.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9711 -4.3591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1781 -8.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8765 -9.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6581 -12.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0262 -8.1027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4790 -8.1027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2999 -6.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9711 -3.5768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6975 -4.7781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2999 -7.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0262 -8.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 -8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5735 -6.4543 0.0000 C 0 0 0 0 0 0 0 0 0 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O 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 -5.6497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3186 -4.4121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3186 -5.2372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4619 -5.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 -6.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 -5.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 -3.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 -5.2371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1751 -5.6496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8896 -4.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 -5.2369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1752 -3.9996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4606 -4.4120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1750 -6.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7461 -5.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7462 -3.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 -2.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0329 -7.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7474 -7.7122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3184 -7.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7474 -8.5372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3184 -8.5370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0328 -8.9495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4621 -7.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4618 -8.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 -9.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6039 -8.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1765 -7.7123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8910 -7.2998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1765 -8.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6055 -7.7123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8909 -8.9496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6054 -8.5372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8910 -6.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3199 -7.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3198 -8.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8909 -9.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8909 -3.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6054 -4.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1765 -4.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9803 -6.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 4 10 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 1 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 8 2 1 6 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 1 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 6 0 0 0 17 18 1 0 0 0 0 17 22 1 6 0 0 0 18 21 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 21 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 20 1 1 0 0 0 35 37 1 0 0 0 0 35 40 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 6 0 0 0 38 39 1 0 0 0 0 38 43 1 6 0 0 0 39 42 1 1 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 40 1 1 0 0 0 45 47 1 0 0 0 0 45 50 1 6 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 6 0 0 0 48 49 1 0 0 0 0 48 53 1 6 0 0 0 49 52 1 1 0 0 0 50 57 1 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 M RAD 1 3 2 M END $$$$ 130688_p OpenBabel02171217032D 68 73 0 0 0 0 0 0 0 0999 V2000 9.2291 -4.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -3.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9437 -2.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9437 -3.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2291 -1.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 -3.6482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5147 -2.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5147 -3.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0365 -2.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6581 -3.6482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -1.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5147 -4.8857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5147 -5.7107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8002 -4.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8002 -6.1233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0858 -4.8857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0858 -5.7107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2291 -6.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8002 -6.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3712 -6.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3712 -4.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6568 -5.7107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9423 -6.1232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6568 -4.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2278 -5.7105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9424 -4.4732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2279 -4.8856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9422 -6.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 -6.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5134 -4.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 -3.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -3.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8001 -7.7732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5146 -8.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0856 -8.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5145 -9.0108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0856 -9.0105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8000 -9.4231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2291 -7.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2289 -9.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -10.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -9.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9436 -8.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6581 -7.7733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9436 -9.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3726 -8.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6579 -9.4232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3725 -9.0108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6581 -6.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 -7.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 -9.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6579 -10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6580 -4.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3725 -4.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9435 -4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6262 -6.9318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8014 -8.1859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5159 -7.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8014 -9.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2304 -8.1860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5158 -9.4235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2303 -9.0110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5160 -6.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9450 -7.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9448 -9.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5157 -10.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2302 -10.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 4 10 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 1 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 8 2 1 6 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 1 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 6 0 0 0 17 18 1 0 0 0 0 17 22 1 6 0 0 0 18 21 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 21 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 20 1 1 0 0 0 35 37 1 0 0 0 0 35 40 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 6 0 0 0 38 39 1 0 0 0 0 38 43 1 6 0 0 0 39 42 1 1 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 40 1 1 0 0 0 45 47 1 0 0 0 0 45 50 1 6 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 6 0 0 0 48 49 1 0 0 0 0 48 53 1 6 0 0 0 49 52 1 1 0 0 0 50 57 1 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 51 1 6 0 0 0 59 61 1 0 0 0 0 59 64 1 6 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 61 65 1 1 0 0 0 62 63 1 0 0 0 0 62 67 1 1 0 0 0 63 66 1 6 0 0 0 68 67 1 0 0 0 0 M RAD 1 3 2 M END $$$$ 130689_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 12.8709 -6.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -5.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5855 -4.4055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5855 -5.2305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8709 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8709 -5.6430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1565 -4.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1565 -5.2305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2999 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2999 -5.6430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -3.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0144 -5.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0146 -4.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7290 -5.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -3.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6443 -4.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1565 -6.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1565 -7.7055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4419 -6.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4419 -8.1180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7275 -6.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7275 -7.7055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8709 -8.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4419 -8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 -8.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 -6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2986 -6.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7424 -8.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4098 -8.9688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1549 -9.7534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3298 -9.7534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0750 -8.9688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2902 -8.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6398 -10.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8449 -10.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6771 -9.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 -10.8334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1305 -11.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4160 -10.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -12.0709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7015 -10.8334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7015 -11.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8449 -12.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -12.8959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -12.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -10.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -13.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -14.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -12.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5786 -12.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 4 10 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 1 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 8 2 1 1 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 1 1 1 0 0 0 18 20 1 0 0 0 0 18 23 1 6 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 1 0 0 0 21 22 1 0 0 0 0 21 26 1 1 0 0 0 22 25 1 1 0 0 0 27 26 1 0 0 0 0 29 28 1 0 0 0 0 29 25 1 1 0 0 0 29 30 1 0 0 0 0 30 34 1 6 0 0 0 30 31 1 0 0 0 0 31 35 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 33 1 1 0 0 0 36 33 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 35 1 1 0 0 0 38 40 1 0 0 0 0 38 43 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 45 1 6 0 0 0 43 50 1 0 0 0 0 44 47 1 0 0 0 0 48 47 2 0 0 0 0 49 47 1 0 0 0 0 M END $$$$ 130690_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 12.8709 -6.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -5.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5855 -4.4055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5855 -5.2305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8709 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8709 -5.6430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1565 -4.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1565 -5.2305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2999 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2999 -5.6430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -3.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0144 -5.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0146 -4.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7290 -5.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -3.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3515 -3.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1565 -6.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1565 -7.7055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4419 -6.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4419 -8.1180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7275 -6.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7275 -7.7055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8709 -8.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4419 -8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 -8.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 -6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2986 -6.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7424 -8.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4098 -8.9688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1549 -9.7534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3298 -9.7534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0750 -8.9688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2902 -8.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6398 -10.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8449 -10.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6771 -9.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 -10.8334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1305 -11.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4160 -10.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -12.0709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7015 -10.8334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7015 -11.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8449 -12.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -12.8959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -12.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -10.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -13.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -14.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -12.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 -12.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 4 10 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 1 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 8 2 1 1 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 1 1 1 0 0 0 18 20 1 0 0 0 0 18 23 1 6 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 1 0 0 0 21 22 1 0 0 0 0 21 26 1 1 0 0 0 22 25 1 1 0 0 0 27 26 1 0 0 0 0 29 28 1 0 0 0 0 29 25 1 1 0 0 0 29 30 1 0 0 0 0 30 34 1 6 0 0 0 30 31 1 0 0 0 0 31 35 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 33 1 1 0 0 0 36 33 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 35 1 1 0 0 0 38 40 1 0 0 0 0 38 43 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 45 1 6 0 0 0 44 47 1 0 0 0 0 45 50 1 0 0 0 0 48 47 2 0 0 0 0 49 47 1 0 0 0 0 M END $$$$ 130691_p OpenBabel02171217032D 68 72 0 0 0 0 0 0 0 0999 V2000 15.1098 -4.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2533 -3.4612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2533 -4.2862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5387 -3.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5387 -4.6987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8243 -3.4612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8243 -4.2862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9677 -3.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9677 -4.6987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1098 -3.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1098 -2.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5386 -5.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6807 -7.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8242 -5.9362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8242 -6.7612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1097 -5.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1097 -7.1737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3953 -5.9362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3953 -6.7612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5386 -7.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6807 -5.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6807 -4.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1096 -7.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9663 -5.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8229 -8.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9663 -7.5862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9663 -8.4112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2517 -7.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2517 -8.8237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5373 -7.5862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5373 -8.4112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6807 -8.8237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8229 -7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8229 -6.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2517 -9.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6807 -9.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3952 -10.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9663 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -10.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1085 -9.2362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1085 -10.0612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3938 -8.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3938 -10.4737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6794 -9.2362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6794 -10.0612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8229 -10.4737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -7.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3938 -11.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2505 -9.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9677 -5.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6822 -5.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2532 -5.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2505 -10.8862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2505 -11.7112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5360 -10.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -12.1237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8215 -10.8862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8215 -11.7112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9650 -12.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -12.9487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 -12.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 -10.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8215 -13.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8215 -14.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -12.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0053 -14.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2632 -3.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 1 1 6 0 0 0 8 68 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 12 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 21 1 1 0 0 0 19 13 1 1 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 13 1 6 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 1 0 0 0 30 31 1 0 0 0 0 30 33 1 1 0 0 0 31 25 1 1 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 37 36 2 0 0 0 0 38 36 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 25 1 6 0 0 0 41 43 1 0 0 0 0 41 46 1 6 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 49 1 1 0 0 0 44 45 1 0 0 0 0 44 47 1 1 0 0 0 45 39 1 1 0 0 0 47 48 2 0 0 0 0 47 50 1 0 0 0 0 52 51 2 0 0 0 0 53 51 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 39 1 1 0 0 0 55 57 1 0 0 0 0 55 60 1 6 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 57 61 1 1 0 0 0 58 59 1 0 0 0 0 58 63 1 1 0 0 0 59 62 1 6 0 0 0 60 67 1 0 0 0 0 61 64 1 0 0 0 0 65 64 2 0 0 0 0 66 64 1 0 0 0 0 M END $$$$ 130692_p OpenBabel02171217032D 57 61 0 0 0 0 0 0 0 0999 V2000 11.5914 -3.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 -2.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3060 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3060 -2.5302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5914 -1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5914 -2.9427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8770 -1.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8770 -2.5302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8140 -1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0204 -2.9427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0204 -3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3060 -4.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7348 -4.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 -0.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8770 -4.1802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8770 -5.0053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1625 -3.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -5.4178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4481 -4.1802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4481 -5.0053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5914 -5.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -6.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7336 -5.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7336 -3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 -6.6552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4480 -7.4803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7335 -6.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7335 -7.8928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0192 -6.6552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0192 -7.4803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1625 -7.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7335 -8.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3047 -7.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3047 -6.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 -9.1303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0191 -9.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3045 -8.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 -10.3678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5901 -9.1303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5901 -9.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7335 -10.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 -11.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 -10.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 -8.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1612 -9.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8770 -8.3053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5916 -7.8928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8770 -9.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3060 -8.3053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5914 -9.5427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3060 -9.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5916 -7.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0204 -7.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0204 -9.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5914 -10.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3899 -7.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 4 10 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 1 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 8 2 1 6 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 1 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 6 0 0 0 20 21 1 0 0 0 0 20 25 1 6 0 0 0 21 24 1 1 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 23 1 1 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 6 0 0 0 31 34 1 1 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 33 1 6 0 0 0 37 39 1 0 0 0 0 37 42 1 6 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 1 0 0 0 40 41 1 0 0 0 0 40 45 1 1 0 0 0 41 44 1 6 0 0 0 46 45 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 32 1 1 0 0 0 48 50 1 0 0 0 0 48 53 1 6 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 50 54 1 6 0 0 0 51 52 1 0 0 0 0 51 56 1 6 0 0 0 52 55 1 1 0 0 0 53 57 1 0 0 0 0 M RAD 1 3 2 M END $$$$ 130693_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 13.2951 -3.3474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2951 -4.1724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5806 -2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5806 -4.5848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8661 -3.3474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8661 -4.1724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0096 -2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0096 -4.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5806 -5.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1516 -4.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1516 -2.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4372 -3.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0096 -5.4098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7240 -5.8223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2951 -5.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7240 -6.6473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2951 -6.6474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0095 -7.0598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4385 -5.4098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4384 -7.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0095 -7.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5806 -7.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5806 -7.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1529 -5.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8674 -5.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1529 -6.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 130694_p OpenBabel02171217032D 60 60 0 0 0 0 0 0 0 0999 V2000 27.4971 -13.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7827 -14.3627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.7827 -15.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0680 -13.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0680 -15.6002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.3535 -14.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.3535 -15.1877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.4971 -15.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0680 -16.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6391 -15.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6391 -13.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9246 -14.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3805 -12.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0864 -13.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2289 -13.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0602 -14.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7832 -14.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4889 -14.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2117 -14.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9175 -14.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6405 -14.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3462 -14.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0691 -14.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6577 -13.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9519 -12.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3543 -14.0097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.6315 -14.4075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.9257 -13.9801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.2028 -14.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5232 -12.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6142 -15.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9429 -13.1553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2184 -12.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5144 -13.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6268 -12.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3309 -11.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0554 -12.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7595 -11.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4838 -12.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1879 -11.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9124 -12.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6167 -11.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3410 -12.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6472 -12.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3716 -13.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0758 -12.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8003 -13.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5044 -12.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2288 -13.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9330 -12.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6574 -13.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3615 -12.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0859 -13.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7899 -12.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1981 -11.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3716 -13.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9432 -13.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2187 -13.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1983 -12.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9025 -11.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 1 0 0 0 12 11 1 0 0 0 0 13 24 1 0 0 0 0 14 13 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 14 1 0 0 0 0 24 25 1 0 0 0 0 25 15 1 0 0 0 0 26 16 1 0 0 0 0 26 56 1 6 0 0 0 27 26 1 0 0 0 0 27 31 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 6 0 0 0 29 1 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 55 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 34 1 0 0 0 0 57 44 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 35 1 0 0 0 0 M END $$$$ 130697_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 16.6543 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6543 -5.0246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9398 -3.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -5.4371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2253 -4.1996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2253 -5.0246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3688 -3.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -5.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -6.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -5.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -3.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7964 -4.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -6.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2253 -7.4996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5108 -6.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -7.9121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7963 -6.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7963 -7.4996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9398 -7.9121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5107 -8.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -7.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -6.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -6.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -8.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3674 -9.1496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6528 -7.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6528 -9.5621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9384 -8.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9384 -9.1496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0818 -9.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6528 -10.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -9.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -7.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -8.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -7.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -6.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3687 -7.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 35 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 21 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 130698_p OpenBabel02171217032D 18 19 0 0 0 0 0 0 0 0999 V2000 10.5000 -4.6643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5000 -5.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7856 -4.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7856 -5.9018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0712 -4.6643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0712 -5.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2145 -4.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2145 -5.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7856 -6.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3567 -5.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3567 -4.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6422 -4.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6423 -5.4892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9278 -5.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2134 -5.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9278 -4.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 -6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 -7.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 11 1 1 0 0 0 5 6 1 0 0 0 0 6 10 1 6 0 0 0 9 18 1 0 0 0 0 12 13 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 6 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 M END $$$$ 130699_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 10.8741 -4.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1597 -5.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5886 -5.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5886 -5.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8741 -6.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1597 -5.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3030 -4.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8741 -7.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4453 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4452 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7308 -5.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 -7.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 6 0 0 0 3 1 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 9 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 6 0 0 0 8 13 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 130700_p OpenBabel02171217032D 27 28 0 0 0 0 0 0 0 0999 V2000 19.4545 -3.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7400 -3.9719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7400 -4.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0255 -3.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0255 -5.2095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3111 -3.9720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3111 -4.7970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4545 -5.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0255 -6.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5966 -5.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5966 -3.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8821 -3.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5966 -2.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1677 -5.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4532 -5.6219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8822 -5.6219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8821 -6.4470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1676 -6.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4532 -6.4469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5965 -6.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1675 -7.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7388 -6.8594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7388 -5.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5964 -7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0243 -6.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0243 -5.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3098 -6.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 15 14 1 0 0 0 0 15 23 1 6 0 0 0 16 14 1 0 0 0 0 16 10 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 1 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 18 19 1 0 0 0 0 19 15 1 0 0 0 0 19 22 1 6 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 26 25 2 0 0 0 0 27 25 1 0 0 0 0 M END $$$$ 130701_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 6 0 0 0 4 2 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 1 0 0 0 8 10 1 0 0 0 0 8 9 1 6 0 0 0 10 1 1 0 0 0 0 10 12 1 1 0 0 0 12 11 1 0 0 0 0 M END $$$$ 131171_p OpenBabel02171217032D 75 77 0 0 0 0 0 0 0 0999 V2000 16.4853 -5.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4851 -6.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1999 -4.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9143 -5.4126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9141 -6.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4739 -2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4739 -3.6676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7594 -2.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7594 -4.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0449 -2.8426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0449 -3.6676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1883 -4.0801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7593 -4.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3305 -2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6160 -2.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5910 -6.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9027 -3.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6171 -4.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9027 -2.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6287 -5.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6160 -4.4926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6160 -5.3176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9014 -4.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9014 -5.7301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1870 -4.4926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1870 -5.3176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3305 -4.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3305 -5.7302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9014 -6.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -5.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -4.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7581 -4.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1995 -6.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3305 -6.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0450 -6.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6160 -6.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1883 -2.4301 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 10.7581 -6.1426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7581 -6.9676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0436 -5.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 -7.3801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3291 -6.1426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3291 -6.9676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6147 -7.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 -5.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -8.2051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1870 -8.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7581 -8.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7581 -9.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -9.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -7.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9014 -8.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -10.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 -9.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 -10.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 -8.6176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3291 -9.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6146 -8.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -8.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -9.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 -8.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 -9.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 -8.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -8.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 -9.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -4.4926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1857 -4.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -3.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 -3.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4713 -3.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 -4.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 -5.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 -3.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 -2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4714 -2.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 6 0 0 0 2 1 1 0 0 0 0 2 33 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 4 20 1 1 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 6 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 11 27 1 6 0 0 0 12 17 1 0 0 0 0 15 14 1 0 0 0 0 16 5 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 1 0 0 0 22 24 1 0 0 0 0 22 28 1 6 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 26 1 0 0 0 0 25 31 1 1 0 0 0 26 30 1 6 0 0 0 28 34 1 0 0 0 0 32 31 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 38 30 1 1 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 51 1 1 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 61 1 1 0 0 0 42 43 1 0 0 0 0 42 45 1 1 0 0 0 43 44 1 6 0 0 0 45 71 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 51 1 1 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 53 1 0 0 0 0 55 54 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 56 61 1 6 0 0 0 57 65 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 60 62 1 0 0 0 0 64 63 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 71 1 6 0 0 0 67 72 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 70 73 1 0 0 0 0 75 74 1 0 0 0 0 A 37 H M END $$$$ 131172_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 10.1615 -7.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7305 -6.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7309 -7.8004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4464 -8.2109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0153 -8.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4464 -9.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0138 -9.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7293 -9.4606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1669 -9.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3058 -9.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -10.2801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -10.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0339 -11.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3081 -10.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7305 -5.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0159 -5.7369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0159 -6.5618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2936 -5.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2936 -6.9762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5751 -5.7368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5751 -6.5618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2973 -7.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -5.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -6.9762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -6.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -6.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1455 -5.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -5.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5590 -7.8297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 1 1 1 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 1 0 0 0 7 10 1 1 0 0 0 7 8 1 0 0 0 0 8 11 1 6 0 0 0 11 12 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 15 28 1 0 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 2 1 1 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 1 0 0 0 20 23 1 1 0 0 0 20 21 1 0 0 0 0 21 24 1 6 0 0 0 24 25 1 0 0 0 0 26 25 1 0 0 0 0 27 25 2 0 0 0 0 M END $$$$ 131173_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 14.5293 -5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5294 -6.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8154 -4.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1014 -5.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7965 -3.9294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0825 -3.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5104 -3.5161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5428 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2756 -3.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2433 -4.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9896 -3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9708 -2.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3685 -4.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6546 -5.1698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6409 -6.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 -4.7598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1942 -5.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 -3.9366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2265 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6544 -3.5231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3684 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6543 -2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 -2.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 -6.4577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9271 -7.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6411 -7.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1618 -7.6808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1807 -8.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4803 -7.2521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7663 -7.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4802 -6.4288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1942 -6.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7663 -6.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 -6.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6411 -8.5142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3865 -8.9349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1035 -8.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3775 -9.7599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0849 -10.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6230 -10.1642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6138 -10.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -9.7440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9241 -8.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 -10.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1889 -10.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 11 1 1 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 4 1 1 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 0 0 0 0 20 22 1 1 0 0 0 21 13 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 24 15 1 1 0 0 0 25 24 1 0 0 0 0 25 26 1 1 0 0 0 27 25 1 0 0 0 0 27 28 1 1 0 0 0 29 27 1 0 0 0 0 29 30 1 6 0 0 0 31 29 1 0 0 0 0 31 33 1 1 0 0 0 32 24 1 0 0 0 0 32 31 1 0 0 0 0 34 33 1 0 0 0 0 35 26 1 1 0 0 0 36 35 1 0 0 0 0 36 37 1 1 0 0 0 38 36 1 0 0 0 0 38 39 1 1 0 0 0 40 38 1 0 0 0 0 40 41 1 6 0 0 0 42 40 1 0 0 0 0 42 44 1 1 0 0 0 43 35 1 0 0 0 0 43 42 1 0 0 0 0 45 44 1 0 0 0 0 M END $$$$ 131174_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 9.1274 -5.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8419 -5.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1274 -6.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5565 -5.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8418 -6.8172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5563 -6.4046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8419 -4.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 -5.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 -6.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4130 -5.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 -3.9297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6984 -4.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9840 -3.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -5.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2696 -3.9297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2696 -4.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4130 -3.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -5.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 -5.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 -3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -6.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2696 -7.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5549 -5.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 -7.6422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8405 -6.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8405 -7.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9840 -7.6422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 -8.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -7.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -5.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 -6.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -8.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 -8.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -8.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 11 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 6 0 0 0 5 6 1 0 0 0 0 5 10 1 6 0 0 0 6 9 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 11 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 19 1 1 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 28 33 1 0 0 0 0 32 31 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 M END $$$$ 131175_p OpenBabel02171217032D 59 63 0 0 0 0 0 0 0 0999 V2000 9.1274 -5.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8419 -5.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1274 -6.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5565 -5.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8418 -6.8172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5563 -6.4046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8419 -4.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 -5.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 -6.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 -5.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6999 -5.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9853 -6.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4143 -5.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6997 -6.8172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4143 -6.4047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6999 -4.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1287 -5.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1287 -6.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6997 -7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4130 -5.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 -3.9297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6984 -4.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9840 -3.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -5.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2696 -3.9297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2696 -4.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4130 -3.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -5.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 -5.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 -3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -6.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2696 -7.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5549 -5.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 -7.6422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8405 -6.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8405 -7.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9840 -7.6422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 -8.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -7.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -5.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 -6.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -8.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 -8.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -8.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8432 -5.5799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5578 -5.1674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8432 -6.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2722 -5.5799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5576 -6.8174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2722 -6.4049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5578 -4.3424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9866 -5.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9866 -6.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5576 -7.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2722 -8.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2722 -3.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2722 -3.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9866 -4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 21 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 6 0 0 0 5 6 1 0 0 0 0 5 10 1 6 0 0 0 6 9 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 8 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 6 0 0 0 16 19 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 1 0 0 0 23 25 1 0 0 0 0 23 21 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 6 0 0 0 26 27 1 0 0 0 0 26 31 1 6 0 0 0 27 30 1 1 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 29 1 1 0 0 0 33 35 1 0 0 0 0 33 38 1 6 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 1 0 0 0 36 37 1 0 0 0 0 36 41 1 1 0 0 0 37 40 1 6 0 0 0 38 43 1 0 0 0 0 42 41 1 0 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 18 1 1 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 52 57 1 0 0 0 0 56 55 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 M END $$$$ 131176_p OpenBabel02171217032D 96 96 0 0 0 0 0 0 0 0999 V2000 18.8839 -23.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8839 -24.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1694 -23.4929 0.0000 O 0 0 0 0 0 0 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-22.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5971 -23.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3115 -23.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3115 -22.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5971 -24.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8826 -25.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1683 -24.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4539 -25.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7394 -24.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -25.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3105 -24.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5961 -25.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8817 -24.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1672 -25.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4528 -24.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7383 -25.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1683 -26.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4539 -25.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7394 -26.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -25.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3105 -26.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5961 -25.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8817 -26.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1672 -25.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4528 -26.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7383 -25.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -20.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1684 -21.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1684 -22.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4538 -21.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4538 -22.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 -20.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -20.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 90 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 96 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 95 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 93 1 0 0 0 0 45 52 2 0 0 0 0 45 94 1 0 0 0 0 46 47 1 0 0 0 0 46 53 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 65 68 1 0 0 0 0 66 12 1 0 0 0 0 66 67 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 89 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 92 91 1 0 0 0 0 93 91 1 0 0 0 0 94 92 1 0 0 0 0 M END $$$$ 131177_p OpenBabel02171217032D 69 74 0 0 0 0 0 0 0 0999 V2000 16.0180 -5.7287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7325 -5.3162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0180 -6.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4470 -5.7287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7324 -6.9662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4469 -6.5536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7325 -4.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1614 -5.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1614 -6.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7324 -7.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8759 -5.7287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5904 -5.3162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8759 -6.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3049 -5.7287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5903 -6.9662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3048 -6.5537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5904 -4.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 -5.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 -6.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5903 -7.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3035 -5.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 -4.0787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5890 -4.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8745 -3.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8745 -5.3162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1601 -4.0787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1601 -4.9037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3035 -3.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8745 -6.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4457 -5.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4457 -3.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1601 -6.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1601 -7.3787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4455 -6.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4455 -7.7912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7311 -6.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7311 -7.3787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8745 -7.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4455 -8.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0165 -7.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0165 -6.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3021 -6.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8745 -8.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 -9.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1601 -9.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5904 -3.6662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8758 -3.2537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3049 -3.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8758 -2.4287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3048 -2.4288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5903 -2.0163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1614 -3.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1614 -2.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5903 -1.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 -2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7338 -5.7288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4483 -5.3163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7338 -6.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1627 -5.7289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4482 -6.9663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1627 -6.5539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4483 -4.4913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8772 -5.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8772 -6.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4482 -7.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1627 -8.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1628 -4.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1628 -3.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8772 -4.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 21 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 6 0 0 0 5 6 1 0 0 0 0 5 10 1 6 0 0 0 6 9 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 8 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 6 0 0 0 16 19 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 1 0 0 0 23 25 1 0 0 0 0 23 21 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 6 0 0 0 26 27 1 0 0 0 0 26 31 1 6 0 0 0 27 30 1 1 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 29 1 1 0 0 0 33 35 1 0 0 0 0 33 38 1 6 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 1 0 0 0 36 37 1 0 0 0 0 36 41 1 1 0 0 0 37 40 1 6 0 0 0 38 43 1 0 0 0 0 42 41 1 0 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 17 1 1 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 6 0 0 0 50 51 1 0 0 0 0 50 55 1 6 0 0 0 51 54 1 1 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 56 18 1 1 0 0 0 57 59 1 0 0 0 0 57 62 1 6 0 0 0 58 60 1 0 0 0 0 59 61 1 0 0 0 0 59 63 1 1 0 0 0 60 61 1 0 0 0 0 60 65 1 1 0 0 0 61 64 1 6 0 0 0 62 67 1 0 0 0 0 66 65 1 0 0 0 0 68 67 2 0 0 0 0 69 67 1 0 0 0 0 M END $$$$ 131182_p OpenBabel02171217032D 46 49 0 0 0 0 0 0 0 0999 V2000 14.9576 -16.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 -17.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2430 -15.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2430 -17.5089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5286 -16.2714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5286 -17.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6720 -15.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6720 -17.5089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2430 -18.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -17.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -15.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3865 -17.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1009 -17.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3865 -16.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -15.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0996 -17.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3852 -17.5089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0996 -16.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 -17.0963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3852 -15.8589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6707 -16.2713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3851 -18.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9563 -17.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9563 -15.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3852 -15.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8305 -19.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2430 -19.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0055 -19.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8304 -20.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5930 -19.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0055 -20.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0680 -19.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2429 -21.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5929 -21.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -19.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3555 -20.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7824 -20.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7824 -21.0004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4970 -19.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4970 -21.4129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2114 -20.1754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2114 -21.0004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1574 -21.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4970 -22.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9259 -21.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9259 -19.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 1 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 6 0 0 0 20 21 1 0 0 0 0 20 25 1 6 0 0 0 21 24 1 6 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 9 1 1 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 1 0 0 0 36 35 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 32 1 6 0 0 0 38 40 1 0 0 0 0 38 43 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 45 1 1 0 0 0 M END $$$$ 131183_p OpenBabel02171217032D 24 25 0 0 0 0 0 0 0 0999 V2000 14.6957 -21.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6957 -22.2947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9810 -21.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9812 -22.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2667 -21.4699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2667 -22.2949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4100 -21.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4101 -22.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9812 -23.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5522 -22.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7409 -21.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4101 -23.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2667 -23.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1245 -19.8196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4100 -20.2322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1243 -18.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6955 -19.8197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4099 -18.5821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6954 -18.9947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8389 -20.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9810 -20.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9808 -18.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4098 -17.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2665 -19.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 15 17 1 0 0 0 0 15 7 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 6 0 0 0 18 19 1 0 0 0 0 18 23 1 6 0 0 0 19 22 1 1 0 0 0 21 24 1 0 0 0 0 M END $$$$ 131184_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 8.3396 -7.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6251 -7.9957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0541 -7.9957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0541 -8.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3396 -9.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6251 -8.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7685 -7.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7685 -9.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3396 -10.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9107 -9.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 -7.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7684 -10.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -8.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 -9.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -8.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6251 -10.4707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6251 -11.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 -10.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 -11.7082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1961 -10.4707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1961 -11.2957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9105 -12.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 -11.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 -10.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 -11.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 6 0 0 0 3 1 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 9 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 9 1 6 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 19 22 1 1 0 0 0 20 18 1 0 0 0 0 20 24 1 1 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 21 23 1 6 0 0 0 23 25 1 0 0 0 0 M END $$$$ 131186_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 14.6792 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 -5.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9647 -4.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9647 -5.6905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2503 -4.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2503 -5.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3937 -4.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3937 -5.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9647 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5358 -5.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5358 -4.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8213 -4.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3937 -6.5155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1082 -6.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6792 -6.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1082 -7.7531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6792 -7.7530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3937 -8.1656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8227 -6.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8226 -8.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3937 -8.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9648 -8.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9648 -8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 131187_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 14.6792 -4.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6792 -5.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9647 -4.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9647 -5.6905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2503 -4.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2503 -5.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3937 -4.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3937 -5.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9647 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5358 -5.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5358 -4.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8213 -4.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2502 -6.9280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2502 -7.7530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5357 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 -8.1655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8213 -6.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8213 -7.7530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9647 -8.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 -8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1068 -8.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1068 -6.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -6.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 133751_p OpenBabel02171217032D 44 46 0 0 0 0 0 0 0 0999 V2000 15.6702 -2.8257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3736 -2.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6702 -3.6507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4113 -4.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9668 -4.0818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2258 -2.8418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9417 -2.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4972 -2.4338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4972 -1.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7938 -2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2136 -1.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0741 -2.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9433 -5.7315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6120 -6.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1832 -6.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6120 -6.9918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1832 -6.9919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8976 -7.4043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3265 -5.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3265 -7.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8976 -8.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4687 -7.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4687 -8.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3707 -2.8929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3707 -3.7179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1117 -4.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6673 -4.1490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6673 -4.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 -3.7409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2228 -4.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9262 -2.9090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6421 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1977 -2.5010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1977 -1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4943 -2.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9140 -2.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 -2.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2470 -3.6787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5325 -4.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9668 -4.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5325 -4.9162 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 -5.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2470 -5.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5325 -5.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 40 1 1 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 6 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 8 9 1 6 0 0 0 10 8 1 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 12 1 6 0 0 0 25 24 1 0 0 0 0 25 26 1 1 0 0 0 27 25 1 0 0 0 0 27 28 1 1 0 0 0 29 27 1 0 0 0 0 29 30 1 6 0 0 0 31 29 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 6 0 0 0 32 24 1 0 0 0 0 33 31 1 0 0 0 0 33 34 1 6 0 0 0 35 33 1 0 0 0 0 35 37 1 0 0 0 0 38 6 1 0 0 0 0 38 39 1 6 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M END $$$$ 133752_p OpenBabel02171217032D 88 95 0 0 0 0 0 0 0 0999 V2000 13.7140 -24.0130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4285 -24.4254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9996 -24.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4286 -25.2504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9997 -25.2505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7142 -25.6629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7139 -23.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1429 -24.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1431 -25.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7142 -26.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2852 -25.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2850 -21.5380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9995 -21.9504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5705 -21.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9995 -22.7755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5705 -22.7756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2850 -23.1880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2849 -20.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7139 -21.5379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2851 -24.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8561 -23.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8562 -24.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5703 -19.4754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5704 -20.3005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8558 -19.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8559 -20.7130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1415 -19.4755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1415 -20.3005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2849 -19.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8559 -21.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4271 -20.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 -19.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9992 -17.8254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2847 -18.2379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9991 -17.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5702 -17.8255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2846 -16.5880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5702 -17.0006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7137 -18.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8559 -18.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8557 -16.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2846 -15.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8571 -17.8252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1426 -18.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8571 -17.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4281 -17.8252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1426 -16.5878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4281 -17.0004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5716 -18.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1427 -19.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7136 -16.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1425 -15.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7151 -17.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0006 -18.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7150 -16.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2861 -17.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0006 -16.5876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2860 -17.0001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4296 -18.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0006 -19.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5715 -16.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0004 -15.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2862 -19.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2862 -20.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5717 -19.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8585 -18.2373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1440 -17.8248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5729 -17.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1439 -16.9999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5728 -16.9999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8583 -16.5874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8585 -19.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4294 -16.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8583 -15.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2873 -16.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5732 -20.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5730 -19.4748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2877 -20.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2876 -19.0623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0020 -20.2998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0019 -19.4747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8586 -20.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2875 -18.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7164 -19.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7165 -20.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7138 -20.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9993 -20.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4283 -20.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 86 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 18 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 6 0 0 0 27 28 1 0 0 0 0 27 32 1 6 0 0 0 28 31 1 1 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 1 0 0 0 34 36 1 0 0 0 0 34 29 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 6 0 0 0 37 38 1 0 0 0 0 37 42 1 6 0 0 0 38 41 1 1 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 49 1 1 0 0 0 44 46 1 0 0 0 0 44 50 1 6 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 39 1 6 0 0 0 47 48 1 0 0 0 0 47 52 1 6 0 0 0 48 51 1 1 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 59 1 1 0 0 0 54 56 1 0 0 0 0 54 60 1 6 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 56 49 1 6 0 0 0 57 58 1 0 0 0 0 57 62 1 6 0 0 0 58 61 1 1 0 0 0 60 63 1 0 0 0 0 64 63 2 0 0 0 0 65 63 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 72 1 1 0 0 0 67 69 1 0 0 0 0 67 59 1 6 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 69 73 1 6 0 0 0 70 71 1 0 0 0 0 70 75 1 6 0 0 0 71 74 1 1 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 76 82 1 1 0 0 0 77 79 1 0 0 0 0 77 72 1 6 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 79 83 1 6 0 0 0 80 81 1 0 0 0 0 80 85 1 6 0 0 0 81 84 1 1 0 0 0 87 86 2 0 0 0 0 88 86 1 0 0 0 0 M END $$$$ 133753_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 14.0713 -23.8067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0713 -24.6317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3569 -23.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3568 -25.0442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6424 -23.8067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6424 -24.6317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7857 -23.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7856 -25.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3567 -25.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9279 -25.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9280 -23.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5005 -21.3318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5005 -22.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7859 -20.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7859 -22.5693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0714 -21.3317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0714 -22.1567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2149 -20.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2149 -22.5693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3570 -22.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3570 -20.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6426 -21.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9296 -19.6818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2150 -20.0943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9296 -18.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5006 -19.6817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2152 -18.4443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5007 -18.8568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6441 -20.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7860 -20.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7863 -18.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2152 -17.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0729 -20.0945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3585 -19.6819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7875 -19.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3585 -18.8569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7874 -18.8570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0729 -18.4445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0728 -20.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6442 -18.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0730 -17.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5019 -18.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9293 -22.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9293 -21.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6438 -22.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 43 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 18 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 6 0 0 0 27 28 1 0 0 0 0 27 32 1 6 0 0 0 28 31 1 1 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 1 0 0 0 34 36 1 0 0 0 0 34 29 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 6 0 0 0 37 38 1 0 0 0 0 37 42 1 6 0 0 0 38 41 1 1 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 M END $$$$ 133754_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 10.5233 -6.1394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5233 -6.9642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8086 -5.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8088 -7.3769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0944 -6.1394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0944 -6.9644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2376 -5.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2377 -7.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8088 -8.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3798 -7.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 -5.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9521 -4.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2376 -4.9017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9520 -3.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5232 -4.4892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2376 -3.2516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5230 -3.6642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6665 -4.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8086 -4.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8084 -3.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2374 -2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 M END $$$$ 133965_p OpenBabel02171217032D 36 37 0 0 0 0 0 0 0 0999 V2000 1.5911 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8766 -0.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5911 -0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3055 -0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3055 0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0200 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 -0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 -1.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 -0.6188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9813 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 -2.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 -2.8669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9156 -3.6920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6301 -4.1045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3445 -3.6920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3445 -2.8669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2011 -4.1045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -4.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 -4.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 -2.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 -3.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 -4.1045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9423 -3.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 -2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 -4.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -4.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -3.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -4.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 1 0 0 0 3 4 1 0 0 0 0 3 8 1 6 0 0 0 4 5 1 0 0 0 0 4 10 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 6 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 1 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 1 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 23 1 0 0 0 0 22 27 1 1 0 0 0 23 24 1 0 0 0 0 23 26 1 1 0 0 0 24 9 1 6 0 0 0 25 29 1 0 0 0 0 26 36 1 0 0 0 0 29 30 1 0 0 0 0 29 32 2 0 0 0 0 30 31 1 0 0 0 0 30 33 1 1 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 M END $$$$ 133966_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 11.2302 -1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2302 -1.8289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5156 -0.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5156 -2.2414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8012 -1.0039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8012 -1.8289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9446 -0.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -3.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5156 -3.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 -2.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 -0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3723 -1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -4.0654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2500 -4.8904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5355 -3.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5355 -5.3029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8211 -4.0654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8211 -4.8904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5355 -6.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 -5.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 -3.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3921 -4.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9645 -5.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 1 0 0 0 14 16 1 0 0 0 0 14 23 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 22 21 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 133967_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 11.2302 -1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2302 -1.8289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5156 -0.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5156 -2.2414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8012 -1.0039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8012 -1.8289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9446 -0.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -3.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5156 -3.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 -2.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 -0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3723 -1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -4.0654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2500 -4.8904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5355 -3.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5355 -5.3029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8211 -4.0654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8211 -4.8904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9446 -6.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5355 -6.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 -5.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 -3.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3921 -4.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -7.1268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2500 -7.9518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5355 -6.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5355 -8.3643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8211 -7.1268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8211 -7.9518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9645 -8.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5355 -9.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 -8.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 -6.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3921 -7.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 19 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 6 0 0 0 34 33 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 134279_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 8.3576 -7.3256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3576 -8.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6430 -6.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -8.5631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9286 -7.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9286 -8.1506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0720 -6.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2509 -9.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -9.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 -8.5631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 -6.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -8.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -8.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -7.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -4.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -5.6756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0720 -4.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 -6.0881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3576 -4.8506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3576 -5.6756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5010 -4.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5010 -6.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6431 -6.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6431 -4.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9286 -5.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 -6.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9286 -4.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 -10.4567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3576 -11.2817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6430 -10.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -11.6942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9286 -10.4567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9286 -11.2817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0720 -11.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -12.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 -11.6942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 -10.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -11.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -11.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -10.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 10 12 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 6 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 6 0 0 0 23 25 1 0 0 0 0 26 25 1 0 0 0 0 27 25 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 8 1 6 0 0 0 29 31 1 0 0 0 0 29 34 1 1 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 1 0 0 0 33 36 1 6 0 0 0 36 38 1 0 0 0 0 39 38 1 0 0 0 0 40 38 2 0 0 0 0 M RAD 1 15 2 M END $$$$ 134280_p OpenBabel02171217032D 66 70 0 0 0 0 0 0 0 0999 V2000 16.2696 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2696 -0.0696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5551 1.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5551 -0.4821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8406 0.7554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8406 -0.0696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0039 -1.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5551 -1.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 -0.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4117 -0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6972 -0.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4117 0.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9841 1.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2995 -5.2084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2995 -6.0334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5849 -4.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 -6.4459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8705 -5.2084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8705 -6.0334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1034 -7.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 -7.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -6.4459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -4.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -6.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -6.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -5.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0139 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9775 -10.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9775 -11.4705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2629 -10.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2629 -11.8830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5485 -10.6455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5485 -11.4705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6919 -10.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2629 -12.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 -11.8830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 -10.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1195 -11.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 -11.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1195 -10.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4065 -8.1705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4065 -8.9955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6919 -7.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6919 -9.4080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9775 -8.1705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9775 -8.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1209 -9.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2630 -9.4080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2630 -7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5485 -8.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 -9.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5485 -8.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6919 -11.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2995 -2.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2995 -3.1211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5849 -1.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 -3.5336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8705 -2.2961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8705 -3.1211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5849 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -3.5336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -3.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -2.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 14 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 9 11 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 6 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 6 0 0 0 23 25 1 0 0 0 0 26 25 1 0 0 0 0 27 25 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 6 0 0 0 30 32 1 0 0 0 0 30 54 1 1 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 1 0 0 0 33 34 1 0 0 0 0 33 38 1 1 0 0 0 34 37 1 6 0 0 0 37 39 1 0 0 0 0 40 39 1 0 0 0 0 41 39 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 21 1 6 0 0 0 43 45 1 0 0 0 0 43 48 1 1 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 35 1 1 0 0 0 46 47 1 0 0 0 0 46 50 1 1 0 0 0 47 49 1 6 0 0 0 49 51 1 0 0 0 0 52 51 1 0 0 0 0 53 51 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 7 1 6 0 0 0 56 58 1 0 0 0 0 56 28 1 1 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 1 0 0 0 59 60 1 0 0 0 0 59 63 1 1 0 0 0 60 62 1 6 0 0 0 62 64 1 0 0 0 0 65 64 1 0 0 0 0 66 64 2 0 0 0 0 M RAD 1 1 2 M END $$$$ 134281_p OpenBabel02171217032D 66 70 0 0 0 0 0 0 0 0999 V2000 16.2696 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2696 -0.0696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5551 1.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5551 -0.4821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8406 0.7554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8406 -0.0696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0039 -1.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5551 -1.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 -0.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4117 -0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6972 -0.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4117 0.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9841 1.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2995 -5.2084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2995 -6.0334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5849 -4.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 -6.4459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8705 -5.2084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8705 -6.0334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1034 -7.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 -7.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -6.4459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -4.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -6.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -6.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -5.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0139 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4556 -11.2790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4556 -12.1040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7410 -10.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7410 -12.5165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0266 -11.2790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0266 -12.1040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6919 -10.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7410 -13.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3121 -12.5165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3121 -10.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5976 -12.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8831 -12.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5976 -11.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4065 -8.1705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4065 -8.9955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6919 -7.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6919 -9.4080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9775 -8.1705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9775 -8.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0681 -10.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2630 -9.4080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2630 -7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5485 -8.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 -9.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5485 -8.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1700 -12.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2995 -2.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2995 -3.1211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5849 -1.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 -3.5336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8705 -2.2961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8705 -3.1211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5849 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -3.5336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -3.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -2.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 14 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 9 11 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 6 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 6 0 0 0 23 25 1 0 0 0 0 26 25 1 0 0 0 0 27 25 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 6 0 0 0 30 32 1 0 0 0 0 30 54 1 1 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 1 0 0 0 33 34 1 0 0 0 0 33 38 1 1 0 0 0 34 37 1 6 0 0 0 37 39 1 0 0 0 0 40 39 1 0 0 0 0 41 39 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 21 1 6 0 0 0 43 45 1 0 0 0 0 43 48 1 1 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 35 1 1 0 0 0 46 47 1 0 0 0 0 46 50 1 1 0 0 0 47 49 1 6 0 0 0 49 51 1 0 0 0 0 52 51 1 0 0 0 0 53 51 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 7 1 6 0 0 0 56 58 1 0 0 0 0 56 28 1 1 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 1 0 0 0 59 60 1 0 0 0 0 59 63 1 1 0 0 0 60 62 1 6 0 0 0 62 64 1 0 0 0 0 65 64 1 0 0 0 0 66 64 2 0 0 0 0 M RAD 1 1 2 M END $$$$ 134618_p OpenBabel02171217032D 24 25 0 0 0 0 0 0 0 0999 V2000 11.9684 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9684 -4.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2538 -3.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 -4.7295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5394 -3.4920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5394 -4.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9741 -3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7226 -5.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 -5.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8249 -4.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8249 -3.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1105 -3.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9684 -6.6231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9684 -7.4481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2538 -6.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 -7.8606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5394 -6.6231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5394 -7.4481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6828 -7.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 -8.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8249 -7.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8249 -6.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1105 -6.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6498 -7.8822 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 A 24 H M RAD 1 1 2 M END $$$$ 134619_p OpenBabel02171217032D 55 60 0 0 0 0 0 0 0 0999 V2000 17.4099 -7.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7424 -7.5276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0773 -7.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8619 -7.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8224 -8.3122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3073 -8.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9973 -8.3122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5124 -8.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9577 -7.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3446 -7.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9422 -7.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2747 -7.5925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6095 -7.5925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3547 -8.3771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8395 -9.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5296 -8.3771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0447 -9.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4901 -7.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3186 -6.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8665 -6.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1991 -6.2756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5340 -6.2756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2791 -5.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7640 -4.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 -5.4910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9691 -4.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4144 -6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8012 -5.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 -4.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8686 -3.6224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2035 -3.6224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9486 -2.8378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4335 -2.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1235 -2.8378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6386 -2.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0839 -3.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -3.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5925 -8.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9251 -9.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2600 -9.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0051 -10.0842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5596 -11.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 -10.0842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6951 -10.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 -9.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 -9.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3043 -11.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 -12.0231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9717 -12.0231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7168 -12.8077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2017 -13.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8918 -12.8077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4069 -13.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8521 -11.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 -12.3202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 1 0 0 0 13 10 1 6 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 27 1 6 0 0 0 22 19 1 1 0 0 0 23 22 1 0 0 0 0 23 24 1 6 0 0 0 25 23 1 0 0 0 0 25 26 1 1 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 30 36 1 6 0 0 0 31 24 1 6 0 0 0 32 31 1 0 0 0 0 32 33 1 6 0 0 0 34 32 1 0 0 0 0 34 35 1 1 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 43 1 0 0 0 0 39 45 1 1 0 0 0 40 17 1 6 0 0 0 41 40 1 0 0 0 0 41 42 1 1 0 0 0 43 41 1 0 0 0 0 43 44 1 6 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 52 1 0 0 0 0 48 54 1 1 0 0 0 49 42 1 1 0 0 0 50 49 1 0 0 0 0 50 51 1 1 0 0 0 52 50 1 0 0 0 0 52 53 1 6 0 0 0 54 55 1 0 0 0 0 M RAD 1 3 2 M END $$$$ 134620_p OpenBabel02171217032D 67 72 0 0 0 0 0 0 0 0999 V2000 8.6901 -17.4916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4046 -17.9041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9756 -17.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 -18.7291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9756 -18.7291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6901 -19.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6901 -16.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 -17.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1190 -19.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 -19.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2612 -19.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2612 -19.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9756 -15.4290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9756 -16.2540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2612 -15.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2611 -16.6665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5467 -15.4291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5467 -16.2541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6901 -15.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2611 -17.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 -16.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 -15.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1178 -15.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4047 -12.9540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4046 -13.7790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6902 -12.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6902 -14.1915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9757 -12.9540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9757 -13.7790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1192 -12.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 -14.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2612 -14.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2612 -12.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 -12.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8336 -11.3040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1192 -11.7165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8336 -10.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 -11.3040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1191 -10.0665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4046 -10.4790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5481 -11.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6902 -11.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 -10.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1190 -9.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 -8.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 -11.7165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2625 -11.3040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6915 -11.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2626 -10.4789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6915 -10.4790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9771 -10.0664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9770 -12.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5481 -10.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9771 -9.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4060 -10.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4060 -9.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6915 -13.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6915 -12.9541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4059 -14.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4060 -12.5416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1204 -13.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1205 -12.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9770 -14.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4061 -11.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8349 -12.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8349 -14.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5494 -13.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 7 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 25 31 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 19 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 6 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 6 0 0 0 36 38 1 0 0 0 0 36 30 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 6 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 6 0 0 0 47 49 1 0 0 0 0 47 41 1 1 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 55 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 63 1 0 0 0 0 58 60 1 0 0 0 0 58 52 1 1 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 60 64 1 1 0 0 0 61 62 1 0 0 0 0 61 66 1 1 0 0 0 62 65 1 6 0 0 0 67 66 1 0 0 0 0 M END $$$$ 134621_p OpenBabel02171217032D 67 72 0 0 0 0 0 0 0 0999 V2000 9.8821 -22.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -20.5968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5966 -21.4218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8822 -20.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8822 -21.8343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1677 -20.5968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1677 -21.4218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3112 -20.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5596 -22.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 -21.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 -20.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7389 -20.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0256 -18.9469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3112 -19.3593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0256 -18.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5966 -18.9469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3111 -17.7094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5966 -18.1219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7400 -19.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8822 -19.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -17.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3110 -16.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5966 -16.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 -19.3593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4544 -18.9469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8834 -18.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4545 -18.1218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8834 -18.1219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1690 -17.7093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1689 -20.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -17.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1690 -16.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5979 -17.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5979 -16.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8834 -21.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8834 -20.5969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5978 -21.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5979 -20.1845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3123 -21.4219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3124 -20.5969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1689 -21.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5980 -19.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0267 -20.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0267 -21.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7413 -21.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6732 -23.8770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3877 -23.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6732 -24.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1022 -23.8770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3876 -25.1145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1021 -24.7020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9588 -23.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3878 -22.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8166 -23.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8166 -25.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3876 -25.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1021 -26.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5298 -23.4645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2442 -23.8770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8154 -23.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2442 -24.7020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8154 -24.7019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5298 -25.1144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9586 -25.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5298 -25.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1009 -25.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1009 -25.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 8 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 25 19 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 6 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 0 0 0 0 36 38 1 0 0 0 0 36 30 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 6 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 1 0 0 0 47 49 1 0 0 0 0 47 53 1 1 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 54 1 1 0 0 0 50 51 1 0 0 0 0 50 56 1 1 0 0 0 51 55 1 6 0 0 0 57 56 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 9 1 1 0 0 0 59 61 1 0 0 0 0 59 52 1 1 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 61 64 1 1 0 0 0 62 63 1 0 0 0 0 62 66 1 1 0 0 0 63 65 1 6 0 0 0 67 66 1 0 0 0 0 M END $$$$ 134622_p OpenBabel02171217032D 56 56 0 0 0 0 0 0 0 0999 V2000 3.7157 -8.8166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7157 -9.6416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0012 -8.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 -10.0541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2867 -8.8166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2867 -9.6416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4302 -8.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 -10.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 -10.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 -10.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 -8.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 -8.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -8.8166 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8591 -8.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -9.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -7.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5736 -8.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2880 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0025 -8.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0025 -9.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 -8.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1459 -8.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 -8.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5749 -8.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 -9.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2893 -8.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0038 -8.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7183 -8.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4328 -8.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7183 -9.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1472 -8.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8617 -8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5762 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2906 -8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5761 -9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2907 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5762 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5763 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8618 -5.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2908 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1473 -6.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4329 -5.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7184 -6.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0039 -5.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7183 -7.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2895 -6.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 -5.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8605 -6.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1461 -5.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 -7.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 -6.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7171 -5.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0026 -6.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2882 -5.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0026 -7.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 13 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M END $$$$ 134623_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 6.5982 -3.9660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5982 -4.7910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8837 -3.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 -5.2035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1693 -3.9660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1693 -4.7910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3127 -3.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 -5.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 -6.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 -5.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 -3.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -3.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4561 -2.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4561 -3.1410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7416 -1.9035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7416 -3.5535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0272 -2.3160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0272 -3.1410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1706 -1.9035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1706 -3.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7416 -4.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 -1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5982 -2.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 134624_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 14.4773 -3.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4773 -4.5872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7628 -3.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7628 -4.9997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0483 -3.7622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0483 -4.5872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1918 -3.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1918 -4.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7628 -5.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3339 -4.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3339 -3.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 -3.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9049 -3.3497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1905 -3.7622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9049 -2.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4760 -3.3496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1905 -2.1121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4760 -2.5246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1904 -4.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7615 -3.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 -2.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1905 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4761 -0.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 134625_p OpenBabel02171217032D 24 25 0 0 0 0 0 0 0 0999 V2000 12.3524 -4.5562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3524 -5.3813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6379 -4.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6379 -5.7938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9235 -4.5562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9235 -5.3813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0668 -5.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6379 -6.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2091 -5.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2091 -4.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4946 -6.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4946 -7.0313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7801 -5.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 -7.4438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0656 -6.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0656 -7.0313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2091 -7.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 -8.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 -7.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 -5.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6367 -6.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 -5.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0655 -8.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0669 -4.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 24 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 6 0 0 0 5 6 1 0 0 0 0 5 10 1 6 0 0 0 6 9 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 9 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 1 0 0 0 16 19 1 6 0 0 0 18 23 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ 134626_p OpenBabel02171217032D 39 41 0 0 0 0 0 0 0 0999 V2000 19.9250 -1.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9250 -2.5903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2104 -1.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2104 -3.0027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4961 -1.7651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4961 -2.5903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6395 -1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7686 -3.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2104 -3.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7816 -3.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7816 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -4.8763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0542 -5.7014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3397 -4.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3397 -6.1139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6253 -4.8763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6253 -5.7014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7686 -6.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3397 -6.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9108 -6.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9108 -4.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6252 -7.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6252 -8.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9107 -6.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9107 -8.5889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1962 -7.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1962 -8.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3397 -8.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9106 -9.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4817 -8.5889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4818 -6.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3397 -9.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7673 -8.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0528 -8.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7673 -7.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3383 -8.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6239 -8.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7508 -7.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 -7.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 19 1 1 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 28 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 134627_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 1.1209 -10.1972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1209 -11.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8336 -11.4286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5461 -11.0223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5461 -10.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8336 -9.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -9.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 -11.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8336 -12.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 -11.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -9.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -8.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 -7.7283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5498 -8.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2583 -8.9597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9710 -8.5533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9710 -7.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -7.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -7.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8336 -7.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 -6.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 -8.9648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8354 -8.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6842 -9.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -10.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -10.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 1 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 1 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END $$$$ 134629_p OpenBabel02171217032D 51 53 0 0 0 0 0 0 0 0999 V2000 10.3366 -8.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 -7.0395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4800 -7.8645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7654 -6.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7654 -8.2770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0510 -7.0395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0510 -7.8645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1944 -6.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1944 -8.2770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7654 -9.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3366 -6.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -7.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1944 -9.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9089 -9.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 -9.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6233 -6.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6233 -7.4520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9088 -6.2145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9088 -5.3895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3379 -5.3895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0523 -6.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6233 -4.9770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3379 -6.2145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1944 -4.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 -5.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3366 -5.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1945 -4.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0523 -4.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0510 -9.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0510 -10.3395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3365 -9.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3378 -7.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0523 -7.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3378 -8.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7667 -6.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7668 -5.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4812 -6.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0523 -2.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3378 -2.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7668 -2.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7668 -3.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0523 -4.1519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3378 -3.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9049 -2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4811 -4.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6234 -4.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6234 -2.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6218 -8.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1956 -4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9101 -4.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1956 -5.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 1 1 6 0 0 0 9 13 1 0 0 0 0 10 29 1 0 0 0 0 11 26 2 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 23 1 0 0 0 0 16 17 1 1 0 0 0 17 32 1 0 0 0 0 18 16 1 0 0 0 0 18 8 1 6 0 0 0 19 18 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 6 0 0 0 20 23 1 0 0 0 0 20 28 1 1 0 0 0 21 35 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 1 0 0 0 24 25 1 0 0 0 0 24 27 2 0 0 0 0 30 29 2 0 0 0 0 31 29 1 0 0 0 0 33 32 2 0 0 0 0 34 32 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 38 39 1 0 0 0 0 39 47 1 1 0 0 0 39 43 1 0 0 0 0 40 38 1 0 0 0 0 40 44 1 1 0 0 0 40 41 1 0 0 0 0 41 45 1 6 0 0 0 41 42 1 0 0 0 0 42 28 1 1 0 0 0 42 43 1 0 0 0 0 43 46 1 1 0 0 0 45 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 M RAD 1 40 2 M END $$$$ 134833_p OpenBabel02171217032D 53 56 0 0 0 0 0 0 0 0999 V2000 5.0775 -15.1184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0775 -15.9434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3629 -14.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 -16.3559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6485 -15.1184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6485 -15.9434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7919 -14.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7919 -16.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 -17.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -16.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -14.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2196 -15.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6498 -14.7058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6498 -15.5308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9353 -14.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9353 -15.9433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2209 -14.7058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2209 -15.5308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3643 -14.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3643 -15.9433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9353 -16.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 -15.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 -14.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0788 -15.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0788 -14.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7932 -15.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0699 -12.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0699 -13.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3554 -11.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3554 -13.4981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6409 -12.2606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6409 -13.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7844 -11.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7844 -13.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 -13.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 -11.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4988 -13.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4988 -12.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2133 -13.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5076 -9.9844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5076 -10.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7930 -9.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7930 -11.2219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0786 -9.9844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0786 -10.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2220 -9.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2220 -11.2219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3641 -11.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3641 -9.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6497 -9.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9365 -10.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9365 -9.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6510 -11.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 23 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 20 24 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 1 0 0 0 28 30 1 0 0 0 0 28 34 1 1 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 19 1 6 0 0 0 31 32 1 0 0 0 0 31 36 1 6 0 0 0 32 35 1 1 0 0 0 34 37 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 46 1 1 0 0 0 41 43 1 0 0 0 0 41 47 1 6 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 33 1 1 0 0 0 44 45 1 0 0 0 0 44 49 1 1 0 0 0 45 48 1 6 0 0 0 47 51 1 0 0 0 0 50 49 1 0 0 0 0 52 51 2 0 0 0 0 53 51 1 0 0 0 0 M END $$$$ 135394_p OpenBabel02171217032D 31 32 0 0 0 0 0 0 0 0999 V2000 6.5997 -12.7211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8852 -13.1336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5997 -11.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 -12.7211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8852 -11.4835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1707 -11.8960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8852 -13.9586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4562 -13.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 -11.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8853 -10.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1721 -13.1336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1721 -13.9586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4576 -12.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4576 -14.3711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7431 -13.1336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7431 -13.9586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8865 -12.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8865 -14.3711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4575 -15.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 -14.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 -12.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3142 -13.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5998 -10.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -11.8961 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 -11.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -12.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 -11.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6009 -13.1335 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.3154 -12.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6009 -13.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8145 -12.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 22 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 9 24 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 6 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 16 1 0 0 0 0 15 21 1 1 0 0 0 16 20 1 6 0 0 0 17 28 1 0 0 0 0 22 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 M END $$$$ 135509_p OpenBabel02171217032D 42 45 0 0 0 0 0 0 0 0999 V2000 13.5818 -8.1366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2963 -8.5491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8673 -8.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -9.3741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8673 -9.3741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5818 -9.7866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0108 -8.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0107 -9.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5817 -10.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1528 -9.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1528 -10.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5818 -7.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -6.0741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5819 -6.4865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2963 -5.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -6.0740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5819 -4.8365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 -5.2490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -6.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -4.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -4.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -3.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0108 -6.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1541 -5.2490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1541 -6.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4397 -4.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -6.4866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7253 -5.2490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 -6.0741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8687 -4.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8687 -6.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -7.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0108 -4.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -6.8990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7239 -6.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0094 -6.8990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7239 -8.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -7.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0094 -7.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2950 -8.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -8.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 -6.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 6 0 0 0 14 16 1 0 0 0 0 14 12 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 22 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 29 1 0 0 0 0 28 33 1 6 0 0 0 29 23 1 1 0 0 0 34 19 1 6 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 36 39 1 0 0 0 0 36 42 1 1 0 0 0 37 38 1 0 0 0 0 38 34 1 0 0 0 0 38 41 1 6 0 0 0 39 37 1 0 0 0 0 39 40 1 1 0 0 0 M END $$$$ 135510_p OpenBabel02171217032D 125131 0 0 0 0 0 0 0 0999 V2000 11.1400 -5.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -6.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -6.0041 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 -6.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 -7.2416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7109 -7.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7109 -8.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9965 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -8.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8543 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -7.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4255 -8.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4255 -9.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -6.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5689 -6.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5689 -5.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2833 -4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2832 -3.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9977 -3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7122 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9975 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9965 -6.4166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2821 -6.0041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7111 -6.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2821 -5.1789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7111 -5.1791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9967 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0 0 0 0 0 0 0 0 17.5701 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2845 -3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9990 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7135 -3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7135 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9990 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2845 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5701 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8556 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1411 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4267 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -4.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -3.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1399 -3.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5688 -3.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1398 -2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4253 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4252 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7105 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9960 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9959 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8525 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5670 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5671 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2817 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5679 -15.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9979 -10.9541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7124 -11.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2833 -11.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7123 -12.1918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2833 -12.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9977 -12.6043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9979 -10.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4268 -10.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4267 -12.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9977 -13.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5688 -12.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5688 -13.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8541 -13.8413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8537 -14.6663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1398 -13.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1389 -15.0784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4251 -13.8406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4248 -14.6656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1385 -15.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -15.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7109 -13.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9963 -13.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5678 -15.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8534 -16.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 -17.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5678 -17.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2823 -17.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2823 -16.3168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5677 -18.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9967 -17.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1388 -17.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1388 -18.3791 0.0000 O 0 0 0 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13.8861 -9.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0296 -9.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1716 -9.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1716 -7.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4586 -7.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1731 -8.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7441 -8.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1716 -6.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4572 -8.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7428 -7.7954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4572 -9.0329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7428 -9.4454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0283 -9.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0283 -8.2078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7427 -10.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3138 -9.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3139 -7.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7428 -6.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 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C 0 0 1 0 0 0 0 0 0 0 0 0 33.2981 -3.1305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.5879 -4.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7527 -3.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0430 -5.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0077 -2.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8636 -3.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4767 -4.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0008 -1.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7260 -3.1133 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 36.1974 -3.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9207 -4.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6414 -3.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3655 -4.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0854 -3.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8095 -4.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5302 -3.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2577 -4.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9743 -3.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7018 -4.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4191 -3.8581 0.0000 C 0 0 0 0 0 0 0 0 0 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19.7712 0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5052 5.1239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7925 5.5393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5091 4.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2233 5.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7915 6.3668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2233 6.3558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5107 6.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0895 6.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9378 6.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6408 6.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0755 5.1251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5157 7.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9249 2.6460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2122 3.0614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9288 1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6429 3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2113 3.8889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6429 3.8779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9303 4.2934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3575 4.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0605 3.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4952 2.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9353 5.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3585 5.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6413 5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3585 6.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0895 7.6128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.3723 8.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5035 8.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8893 7.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 1 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 6 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 1 0 0 0 30 27 1 1 0 0 0 30 34 1 0 0 0 0 30 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0 0 89 92 1 1 0 0 0 90 93 1 1 0 0 0 90 91 1 0 0 0 0 91 96 1 6 0 0 0 92111 1 0 0 0 0 93 94 1 0 0 0 0 95108 1 0 0 0 0 97 98 1 0 0 0 0 97 99 1 1 0 0 0 97100 1 0 0 0 0 98101 1 0 0 0 0 98106 1 6 0 0 0 100102 1 0 0 0 0 101103 1 0 0 0 0 101 87 1 1 0 0 0 102104 1 1 0 0 0 102103 1 0 0 0 0 103107 1 1 0 0 0 104105 1 0 0 0 0 108109 1 0 0 0 0 108110 2 0 0 0 0 111112 1 0 0 0 0 111113 2 0 0 0 0 111114 2 0 0 0 0 M END $$$$ 135513_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 8.3377 -19.2633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3377 -20.0883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6232 -18.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6232 -20.5008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9087 -19.2633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9087 -20.0883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0522 -18.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0522 -20.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6231 -21.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 -20.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 -18.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4798 -19.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9087 -21.7383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1941 -21.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -21.7383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1941 -22.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9087 -22.5633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4797 -22.5633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7652 -22.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6231 -22.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -21.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 9 1 6 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 1 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 17 20 1 6 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 M END $$$$ 135514_p OpenBabel02171217032D 83 90 0 0 0 0 0 0 0 0999 V2000 12.9032 -9.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5387 -0.3176 0.0000 C 0 0 1 0 0 0 0 0 0 0 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0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 20 1 1 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 32 1 1 0 0 0 3 4 1 0 0 0 0 4 17 1 6 0 0 0 4 5 1 0 0 0 0 5 18 1 1 0 0 0 5 6 1 0 0 0 0 6 19 1 6 0 0 0 7 21 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 6 0 0 0 10 13 1 0 0 0 0 10 34 1 1 0 0 0 11 14 1 1 0 0 0 11 13 1 0 0 0 0 13 15 1 6 0 0 0 20 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 6 0 0 0 26 29 1 0 0 0 0 26 33 1 1 0 0 0 27 30 1 1 0 0 0 27 29 1 0 0 0 0 29 31 1 6 0 0 0 33 32 1 0 0 0 0 34 16 1 0 0 0 0 M END $$$$ 135806_p 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14.2964 -10.8778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0109 -9.6404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0109 -10.4654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 -9.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 -11.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -10.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -9.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -7.9903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -8.8153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 -9.2278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 -7.9903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 -8.8153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -10.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -5.5153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -6.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 -5.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -6.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5819 -5.5153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5819 -6.3403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4384 -5.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -6.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -6.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -5.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -3.0403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -3.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 -4.2779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 -3.0403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 -3.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -4.2779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -4.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 -3.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -3.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -3.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 -4.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0108 -6.3403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 -6.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0108 -5.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -6.3402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 -5.1028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4397 -5.5153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7253 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1542 -6.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1541 -5.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -4.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -3.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -1.3904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5819 -2.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2964 -0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 -2.6278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0109 -1.3904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0109 -2.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 -0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 -3.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 0.2597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -0.5653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 0.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 -0.9778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 0.2597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 -0.5653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 0.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 0.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 2.7347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 1.9097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 3.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 1.4972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5819 2.7347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5819 1.9097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4384 3.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 1.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 1.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 5.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 4.3847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 5.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 3.9721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 5.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 4.3847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 5.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 3.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 3.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 5.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 5.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 4.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 5.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 3.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0108 1.9097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 1.4972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0108 2.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 1.9098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 3.1472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4397 2.7347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7253 0.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1542 1.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1541 3.1472 0.0000 O 0 0 0 0 0 0 0 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0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0757 -8.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6467 -8.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3612 -7.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6467 -8.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3612 -10.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 -9.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 -7.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3612 -6.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6468 -6.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 1 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 8 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 1 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 18 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 29 33 1 0 0 0 0 32 31 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 20 1 6 0 0 0 37 39 1 0 0 0 0 37 42 1 6 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 1 0 0 0 40 41 1 0 0 0 0 40 45 1 1 0 0 0 41 44 1 6 0 0 0 46 45 1 0 0 0 0 M END $$$$ 135808_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 20.8422 -14.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1278 -13.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8422 -13.7520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1278 -12.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5567 -13.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8422 -12.1020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5567 -12.5145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4133 -13.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2712 -13.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2712 -12.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8423 -11.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9842 -21.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6987 -19.9395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6987 -20.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4132 -19.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4132 -21.1770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1277 -19.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1277 -20.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9842 -19.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4132 -22.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8421 -21.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8421 -19.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6987 -17.4645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6987 -18.2895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9842 -17.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9842 -18.7020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2698 -17.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2698 -18.2895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4132 -17.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4132 -18.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5553 -18.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5553 -17.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1277 -14.9895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1277 -15.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4132 -14.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4132 -16.2270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6987 -14.9895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6987 -15.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8422 -16.2270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9843 -16.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9843 -14.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2698 -14.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5567 -15.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5567 -14.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2711 -16.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8408 -18.2895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1264 -18.7020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8409 -17.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4119 -18.2894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1264 -17.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4119 -17.4644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1264 -19.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6974 -18.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6974 -17.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1264 -16.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4120 -15.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 1 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 12 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 19 1 6 0 0 0 27 28 1 0 0 0 0 27 32 1 6 0 0 0 28 31 1 1 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 1 1 1 0 0 0 34 36 1 0 0 0 0 34 39 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 29 1 1 0 0 0 37 38 1 0 0 0 0 37 41 1 1 0 0 0 38 40 1 6 0 0 0 39 43 1 0 0 0 0 42 41 1 0 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 31 1 6 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 55 1 0 0 0 0 M END $$$$ 135809_p OpenBabel02171217032D 111120 0 0 0 0 0 0 0 0999 V2000 12.8674 -19.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -17.8904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5819 -18.7154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2964 -17.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 -19.1279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0109 -17.8904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0109 -18.7154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 -17.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 -19.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -19.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -17.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -16.2403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -17.0653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 -15.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 -17.4778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 -16.2403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 -17.0653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 -15.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -18.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -17.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -15.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -13.7654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -14.5903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 -13.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -15.0029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5819 -13.7654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5819 -14.5903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4384 -13.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -15.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -15.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -13.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -11.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -12.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 -10.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 -12.5279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 -11.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 -12.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 -10.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -12.5279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -12.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -10.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 -11.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -12.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -11.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 -12.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0108 -14.5903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 -15.0029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0108 -13.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -14.5903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 -13.3528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4397 -13.7653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7253 -15.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1542 -15.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1541 -13.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -12.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -12.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -9.6404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5819 -10.4654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2964 -9.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 -10.8778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0109 -9.6404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0109 -10.4654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 -9.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 -11.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -10.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -9.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -7.9903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -8.8153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 -9.2278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 -7.9903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 -8.8153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8674 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -10.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -5.5153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -6.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 -5.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -6.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5819 -5.5153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5819 -6.3403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4384 -5.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 -6.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -6.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -5.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1529 -3.0403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1529 -3.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4386 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 -4.2779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7240 -3.0403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7240 -3.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8674 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8674 -4.2779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -4.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 -3.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -3.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5819 -3.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 -4.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0108 -6.3403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 -6.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0108 -5.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -6.3402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7253 -5.1028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4397 -5.5153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7253 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1542 -6.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1541 -5.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7253 -4.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -3.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0095 -9.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 1 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 6 0 0 0 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0 0 0 0 79 81 1 0 0 0 0 79 73 1 1 0 0 0 80 81 1 0 0 0 0 80 85 1 1 0 0 0 81 84 1 6 0 0 0 86 87 1 0 0 0 0 86 88 1 0 0 0 0 86 92 1 1 0 0 0 87 89 1 0 0 0 0 87 93 1 6 0 0 0 88 90 1 0 0 0 0 89 91 1 0 0 0 0 89 82 1 1 0 0 0 90 91 1 0 0 0 0 90 95 1 1 0 0 0 91 94 1 6 0 0 0 93 97 1 0 0 0 0 96 95 1 0 0 0 0 98 97 2 0 0 0 0 99 97 1 0 0 0 0 100101 1 0 0 0 0 100102 1 0 0 0 0 100 84 1 1 0 0 0 101103 1 0 0 0 0 101106 1 1 0 0 0 102104 1 0 0 0 0 103105 1 0 0 0 0 103107 1 6 0 0 0 104105 1 0 0 0 0 104109 1 6 0 0 0 105108 1 1 0 0 0 110109 1 0 0 0 0 M END $$$$ 135810_p OpenBabel02171217032D 37 38 0 0 0 0 0 0 0 0999 V2000 8.0842 -14.6323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7986 -14.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 -13.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 -15.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3697 -14.2198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5131 -14.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 -15.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 -15.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -12.9823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5117 -13.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9407 -13.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 -14.2198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9407 -14.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2262 -14.6323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2262 -12.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7973 -12.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7973 -14.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -15.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 -14.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9408 -10.0947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9408 -10.9197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2263 -9.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2263 -11.3323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5118 -10.0947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5118 -10.9197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6553 -9.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6553 -11.3323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7973 -11.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7973 -9.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -10.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 -10.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 -10.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 -11.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 -14.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 -13.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -14.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 -15.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 6 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 6 0 0 0 5 19 1 0 0 0 0 6 2 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 1 0 0 0 10 12 1 0 0 0 0 10 16 1 1 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 6 0 0 0 13 14 1 0 0 0 0 13 19 1 6 0 0 0 14 18 1 6 0 0 0 17 34 1 0 0 0 0 19 37 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 1 0 0 0 21 23 1 0 0 0 0 21 27 1 6 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 15 1 1 0 0 0 24 25 1 0 0 0 0 24 29 1 1 0 0 0 25 28 1 1 0 0 0 27 31 1 0 0 0 0 30 29 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 M END $$$$ 135811_p OpenBabel02171217032D 29 29 0 0 0 0 0 0 0 0999 V2000 10.9117 -4.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 -4.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1972 -5.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9117 -5.8897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6262 -5.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 -6.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 -4.2398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7683 -4.6522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4829 -3.4149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7683 -5.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1973 -3.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6262 -4.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4828 -5.8897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1973 -7.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 -6.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7683 -7.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -5.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -6.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3395 -5.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7685 -3.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7687 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6262 -3.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 -3.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3406 -3.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3406 -4.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8101 -4.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3165 -6.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 1 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 6 0 0 0 2 3 1 0 0 0 0 3 14 1 6 0 0 0 3 4 1 0 0 0 0 4 6 1 1 0 0 0 4 5 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 8 10 1 0 0 0 0 8 11 1 6 0 0 0 9 21 1 0 0 0 0 11 18 1 0 0 0 0 13 5 1 0 0 0 0 13 24 1 0 0 0 0 13 27 1 1 0 0 0 14 16 1 0 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ 135812_p OpenBabel02171217032D 52 55 0 0 0 0 0 0 0 0999 V2000 12.1565 -6.8805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1565 -7.7055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4420 -6.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4418 -8.1179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7275 -6.8804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7275 -7.7054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8709 -8.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4418 -8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 -8.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0131 -6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2986 -6.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8709 -6.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -5.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5855 -4.4055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5855 -5.2305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8709 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8709 -5.6430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1565 -4.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1565 -5.2305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2999 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2999 -5.6430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -3.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0144 -5.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0146 -4.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7290 -5.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -3.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4434 -2.7555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4434 -3.5805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7290 -2.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7290 -3.9930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0144 -2.7555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0144 -3.5805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1578 -2.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1578 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7290 -4.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2999 -2.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5855 -2.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0131 -5.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7274 -9.3554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7274 -10.1805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0129 -8.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0128 -10.5929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2984 -9.3554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2984 -10.1804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4418 -10.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0128 -11.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5839 -10.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 -8.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8695 -9.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 -8.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2386 -2.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3955 -10.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 10 38 2 0 0 0 0 11 10 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 15 21 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 12 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 1 0 0 0 19 13 1 6 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 6 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 20 1 6 0 0 0 33 51 1 0 0 0 0 37 36 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 8 1 6 0 0 0 40 42 1 0 0 0 0 40 45 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 46 1 1 0 0 0 43 44 1 0 0 0 0 43 48 1 1 0 0 0 44 47 1 1 0 0 0 47 52 1 0 0 0 0 48 50 2 0 0 0 0 49 48 1 0 0 0 0 M END $$$$ 135813_p OpenBabel02171217032D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.4363 1.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 0.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9920 1.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 0.6323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4387 -0.6063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4387 -1.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1526 -0.1927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8670 -0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2764 -0.1948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8658 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9908 -0.6073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 -0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 4 7 1 0 0 0 0 4 10 1 1 0 0 0 5 9 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 2 1 0 0 0 0 9 12 1 6 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 14 13 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 135814_p OpenBabel02171217032D 39 41 0 0 0 0 0 0 0 0999 V2000 14.7788 -17.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7788 -18.5975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0643 -17.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 -19.0100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3498 -17.7725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3498 -18.5975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2050 -17.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4933 -19.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 -19.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6353 -19.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6353 -17.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 -17.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 -22.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9490 -23.2435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3779 -23.2435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3779 -24.0684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6634 -24.4809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9490 -24.0684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0923 -22.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0923 -24.4809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 -25.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2346 -24.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2344 -22.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0922 -25.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8067 -25.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3778 -25.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0923 -20.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3778 -20.7685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8068 -20.7685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8068 -21.5935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0923 -22.0060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3778 -21.5935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5212 -22.0060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 -22.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6633 -20.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5211 -22.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2356 -23.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8066 -23.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6445 -25.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 14 23 1 6 0 0 0 15 13 1 0 0 0 0 15 19 1 1 0 0 0 15 16 1 0 0 0 0 16 20 1 1 0 0 0 16 17 1 0 0 0 0 17 21 1 6 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 18 22 1 6 0 0 0 20 24 1 0 0 0 0 21 39 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 27 1 0 0 0 0 28 35 1 6 0 0 0 29 27 1 0 0 0 0 29 8 1 6 0 0 0 29 30 1 0 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 19 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 34 1 6 0 0 0 33 36 1 0 0 0 0 37 36 2 0 0 0 0 38 36 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 135815_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 11.2546 -15.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 -16.2486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5401 -15.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5401 -16.6611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8256 -15.4236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8256 -16.2486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5401 -17.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1112 -16.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1112 -15.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3967 -15.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9691 -17.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 -17.8987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9691 -16.6612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6835 -17.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3967 -17.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3967 -17.8987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6822 -16.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 -18.3112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9678 -17.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9678 -17.8987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1112 -18.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 -19.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2533 -18.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2533 -16.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -17.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9677 -19.5487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9677 -20.3737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2532 -19.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 -20.7862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5387 -19.5487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5387 -20.3737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6822 -20.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 -21.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 -20.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 -19.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 -19.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9691 -15.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 37 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 8 1 6 0 0 0 10 9 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 8 1 1 0 0 0 16 18 1 0 0 0 0 16 21 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 1 0 0 0 25 24 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 22 1 6 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 1 0 0 0 36 35 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 135817_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 10.5045 -12.1563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5045 -12.9813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7900 -11.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 -13.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0756 -12.1563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0756 -12.9813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2190 -11.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2190 -13.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 -14.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3611 -13.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3611 -11.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9335 -10.5063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9335 -11.3313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6480 -10.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6480 -11.7438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3625 -10.5063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3625 -11.3313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2190 -10.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6480 -12.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0769 -11.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0769 -10.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9335 -8.0313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9335 -8.8563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2190 -7.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2190 -9.2688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5046 -8.0313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5046 -8.8563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6480 -7.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6480 -9.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7901 -9.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7901 -7.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3625 -5.5563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3625 -6.3813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6480 -5.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6480 -6.7938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9335 -5.5563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9335 -6.3813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0770 -5.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0770 -6.7938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2191 -6.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2191 -5.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5046 -5.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7915 -6.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7915 -5.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5059 -6.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -8.8563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3612 -9.2688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0757 -8.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6467 -8.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3612 -7.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6467 -8.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3612 -10.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 -9.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 -7.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3612 -6.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6468 -6.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 7 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 1 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 18 1 6 0 0 0 26 27 1 0 0 0 0 26 31 1 6 0 0 0 27 30 1 1 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 1 0 0 0 33 35 1 0 0 0 0 33 39 1 6 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 28 1 1 0 0 0 36 37 1 0 0 0 0 36 41 1 1 0 0 0 37 40 1 6 0 0 0 39 43 1 0 0 0 0 42 41 1 0 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 30 1 6 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 55 1 0 0 0 0 M END $$$$ 135818_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 9.1958 -4.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1958 -3.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9119 -5.2254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6403 -4.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9119 -6.0504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6280 -6.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -6.4586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2082 -7.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 -6.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4920 -5.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7760 -6.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 -7.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4674 -2.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1835 -2.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4674 -3.5683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7513 -3.9779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7513 -4.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0475 -3.5697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3314 -3.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0475 -2.7447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7636 -2.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 -2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6276 -2.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 0 0 0 0 9 11 1 1 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 15 2 1 6 0 0 0 16 15 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 20 18 1 0 0 0 0 20 22 1 1 0 0 0 21 13 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 M END $$$$ 135849_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 5.8230 -10.5561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8230 -11.3811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1085 -10.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -11.7936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3940 -10.5561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3940 -11.3811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5375 -10.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -11.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 -12.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -11.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -10.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 -8.0811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2520 -8.9061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5375 -7.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -9.3186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8230 -8.0811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8230 -8.9061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9665 -7.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9665 -9.3186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -9.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -7.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3941 -8.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6809 -8.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6809 -8.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 -9.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 23 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 M END $$$$ 135866_p OpenBabel02171217032D 39 41 0 0 0 0 0 0 0 0999 V2000 13.2697 -4.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2697 -5.5911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5551 -4.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 -6.0036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8407 -4.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8407 -5.5911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9841 -4.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9841 -6.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 -6.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -6.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -4.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4117 -4.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9841 -6.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6985 -7.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2696 -7.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1263 -6.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4117 -7.2411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8407 -7.2411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8407 -8.0661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1263 -8.4786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4117 -8.0661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5551 -8.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1263 -9.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6974 -8.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 -6.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1263 -10.1285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8407 -10.5410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4117 -10.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8407 -11.3661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4117 -11.3661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1262 -11.7786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5552 -10.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 -11.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -12.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 -11.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 -12.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9828 -11.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8352 -4.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8775 -8.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 38 1 0 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 17 25 1 6 0 0 0 18 16 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 19 22 1 1 0 0 0 19 20 1 0 0 0 0 20 23 1 6 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 21 24 1 6 0 0 0 24 39 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 23 1 6 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 6 0 0 0 35 37 1 0 0 0 0 36 35 2 0 0 0 0 M END $$$$ 135867_p OpenBabel02171217032D 55 58 0 0 0 0 0 0 0 0999 V2000 13.2698 -4.7662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2698 -5.5912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5552 -4.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5552 -6.0037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8408 -4.7662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8408 -5.5912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9842 -4.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9842 -6.0037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5552 -6.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1263 -6.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1263 -4.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 -4.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9842 -6.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6987 -7.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2697 -7.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8407 -7.2412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8407 -8.0662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1262 -6.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -8.4787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4118 -7.2411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4118 -8.0662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5552 -8.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -9.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6972 -8.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 -6.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9828 -7.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6972 -6.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5552 -9.3037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2697 -9.7162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8407 -9.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2697 -10.5413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8407 -10.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5552 -10.9537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9842 -9.3037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9841 -10.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5552 -11.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -10.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -11.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6987 -9.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4131 -9.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6986 -10.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9841 -11.7788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6986 -12.1913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2696 -12.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6985 -13.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2696 -13.0163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9841 -13.4288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4131 -11.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4130 -13.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9841 -14.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 -13.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 -14.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8407 -13.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0917 -4.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -14.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 7 54 1 0 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 9 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 25 27 2 0 0 0 0 26 25 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 22 1 1 0 0 0 29 31 1 0 0 0 0 29 34 1 6 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 1 0 0 0 33 36 1 6 0 0 0 34 39 1 0 0 0 0 38 37 1 0 0 0 0 40 39 2 0 0 0 0 41 39 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 35 1 6 0 0 0 43 45 1 0 0 0 0 43 48 1 6 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 1 0 0 0 46 47 1 0 0 0 0 46 51 1 1 0 0 0 47 50 1 1 0 0 0 50 55 1 0 0 0 0 51 53 1 0 0 0 0 52 51 2 0 0 0 0 M END $$$$ 136019_p OpenBabel02171217032D 141151 0 0 0 0 0 0 0 0999 V2000 7.9613 -0.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6758 -1.3086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4796 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6758 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9613 -2.5461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9613 -3.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2468 -2.1336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5324 -2.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2468 -0.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2468 -1.3086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8179 -1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 -0.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5324 -0.8963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5324 -0.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0407 -0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5823 0.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8639 -0.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1036 -2.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -2.9586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8180 -3.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5324 -4.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1036 -4.1961 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109110 1 0 0 0 0 109111 1 0 0 0 0 109 91 1 6 0 0 0 110112 1 0 0 0 0 110115 1 6 0 0 0 111113 1 0 0 0 0 112114 1 0 0 0 0 112116 1 1 0 0 0 113114 1 0 0 0 0 113118 1 1 0 0 0 114117 1 6 0 0 0 119118 1 0 0 0 0 120121 1 0 0 0 0 120122 1 0 0 0 0 120117 1 6 0 0 0 121123 1 0 0 0 0 121126 1 6 0 0 0 122124 1 0 0 0 0 123125 1 0 0 0 0 123127 1 1 0 0 0 124125 1 0 0 0 0 124129 1 1 0 0 0 125128 1 6 0 0 0 130129 1 0 0 0 0 131132 1 0 0 0 0 131133 1 0 0 0 0 131130 1 6 0 0 0 132134 1 0 0 0 0 132137 1 6 0 0 0 133135 1 0 0 0 0 134136 1 0 0 0 0 134138 1 1 0 0 0 135136 1 0 0 0 0 135140 1 1 0 0 0 136139 1 1 0 0 0 141140 1 0 0 0 0 M END $$$$ 136021_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 7.1811 -11.4059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1811 -12.2309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4666 -10.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -12.6434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7522 -11.4059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7522 -12.2309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8956 -10.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 -12.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -13.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 -12.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 -10.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3232 -11.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -12.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -11.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3245 -12.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 -9.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0390 -10.5808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3245 -9.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3245 -10.9933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6100 -9.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6100 -10.5808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7535 -9.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7535 -10.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3245 -11.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 -9.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1811 -9.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 -10.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 -9.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1824 -10.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 6 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 7 1 1 0 0 0 23 27 1 0 0 0 0 26 25 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 136022_p OpenBabel02171217032D 51 53 0 0 0 0 0 0 0 0999 V2000 10.7864 -5.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5009 -5.5485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2153 -5.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5009 -6.3736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2153 -6.7862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 -6.3736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3576 -6.7862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7864 -6.7862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7864 -7.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 -5.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3576 -5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6430 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6432 -5.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9285 -6.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3588 -3.8985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3588 -4.7235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6442 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 -5.1360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9298 -3.8985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9298 -4.7235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0732 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0732 -5.1360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 -5.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2153 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5008 -3.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0732 -5.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7877 -6.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3588 -6.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2152 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9297 -8.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5008 -8.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5021 -3.4860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5021 -4.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7876 -3.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7876 -2.2485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2166 -2.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0270 -2.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9310 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5021 -1.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2166 -3.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0732 -1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3588 -2.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2153 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0733 -1.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 -6.3735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4996 -6.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 -5.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6591 -7.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2166 -4.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2166 -5.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9310 -4.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 6 0 0 0 7 12 1 0 0 0 0 8 4 1 0 0 0 0 8 9 1 1 0 0 0 9 48 1 0 0 0 0 10 6 1 0 0 0 0 10 11 1 1 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 1 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 3 1 6 0 0 0 22 26 1 0 0 0 0 24 43 2 0 0 0 0 25 24 1 0 0 0 0 27 26 2 0 0 0 0 28 26 1 0 0 0 0 30 29 2 0 0 0 0 31 29 1 0 0 0 0 32 40 1 0 0 0 0 32 33 1 1 0 0 0 33 49 1 0 0 0 0 34 32 1 0 0 0 0 34 21 1 6 0 0 0 35 34 1 0 0 0 0 35 39 1 0 0 0 0 35 41 1 6 0 0 0 36 40 1 0 0 0 0 36 37 1 1 0 0 0 39 36 1 0 0 0 0 40 38 1 1 0 0 0 41 42 1 0 0 0 0 41 44 2 0 0 0 0 45 46 1 0 0 0 0 45 47 1 6 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 M RAD 1 36 2 M END $$$$ 136023_p OpenBabel02171217032D 51 53 0 0 0 0 0 0 0 0999 V2000 10.7864 -5.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5009 -5.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2153 -5.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5009 -6.3736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2153 -6.7862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 -6.3736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3576 -6.7862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7864 -6.7862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7864 -7.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 -5.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3576 -5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6430 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6432 -5.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9285 -6.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3588 -3.8985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3588 -4.7235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6442 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 -5.1360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9298 -3.8985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9298 -4.7235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0732 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0732 -5.1360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 -5.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2153 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5008 -3.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0732 -5.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7877 -6.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3588 -6.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2152 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9297 -8.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5008 -8.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5021 -3.4860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5021 -4.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7876 -3.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7876 -2.2485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2166 -2.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0270 -2.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9310 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5021 -1.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2166 -3.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0732 -1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3588 -2.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2153 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0733 -1.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 -6.3735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4996 -6.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 -5.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6591 -7.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2166 -4.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2166 -5.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9310 -4.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 6 0 0 0 7 12 1 0 0 0 0 8 4 1 0 0 0 0 8 9 1 1 0 0 0 9 48 1 0 0 0 0 10 6 1 0 0 0 0 10 11 1 1 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 1 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 3 1 6 0 0 0 22 26 1 0 0 0 0 24 43 2 0 0 0 0 25 24 1 0 0 0 0 27 26 2 0 0 0 0 28 26 1 0 0 0 0 30 29 2 0 0 0 0 31 29 1 0 0 0 0 32 40 1 0 0 0 0 32 33 1 1 0 0 0 33 49 1 0 0 0 0 34 32 1 0 0 0 0 34 21 1 6 0 0 0 35 34 1 0 0 0 0 35 39 1 0 0 0 0 35 41 1 6 0 0 0 36 40 1 0 0 0 0 36 37 1 1 0 0 0 39 36 1 0 0 0 0 40 38 1 1 0 0 0 41 42 1 0 0 0 0 41 44 2 0 0 0 0 45 46 1 0 0 0 0 45 47 1 6 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 M RAD 1 36 2 M END $$$$ 136024_p OpenBabel02171217032D 51 54 0 0 0 0 0 0 0 0999 V2000 10.8540 -3.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5685 -4.2589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2829 -3.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5685 -5.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2829 -5.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 -5.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8540 -6.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1395 -5.0839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4252 -5.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1395 -4.2589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1395 -3.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7107 -4.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 -3.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4252 -3.8464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4252 -3.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 -8.3839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2816 -9.2089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5671 -7.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5671 -9.6214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8527 -8.3839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8527 -9.2089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9961 -7.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -9.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5671 -10.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -9.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -7.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4237 -8.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 -6.7339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1396 -7.5589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4250 -6.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -7.9714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7106 -6.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7106 -7.5589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8540 -7.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -8.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -6.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 -6.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9973 -5.9089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7118 -5.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9973 -6.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4263 -5.9090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7117 -7.1464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4263 -6.7340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7119 -4.6714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1408 -5.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1407 -7.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7117 -7.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4262 -8.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4263 -4.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4264 -3.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1408 -4.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 4 2 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 6 0 0 0 10 8 1 0 0 0 0 10 14 1 0 0 0 0 10 11 1 6 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 14 15 1 6 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 26 1 1 0 0 0 21 25 1 1 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 7 1 6 0 0 0 29 31 1 0 0 0 0 29 34 1 6 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 1 0 0 0 32 33 1 0 0 0 0 32 36 1 1 0 0 0 33 22 1 6 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 5 1 6 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 6 0 0 0 44 49 1 0 0 0 0 48 47 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 M END $$$$ 136035_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 11.1343 -5.7627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1343 -6.5877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4199 -5.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4199 -7.0002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7055 -5.7627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7055 -6.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8487 -5.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8487 -7.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4199 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -7.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -5.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 -5.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 -8.2377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7054 -9.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9909 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -9.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -8.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2764 -9.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4199 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -7.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 M END $$$$ 136044_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 1 0 0 0 9 6 1 0 0 0 0 10 8 1 6 0 0 0 11 12 1 0 0 0 0 M END $$$$ 136045_p OpenBabel02171217032D 11 11 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 6 0 0 0 3 1 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 9 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 6 0 0 0 M END $$$$ 136093_p OpenBabel02171217032D 42 45 0 0 0 0 0 0 0 0999 V2000 4.3450 -14.6461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3450 -15.4639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6476 -15.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9253 -15.4868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9128 -14.6620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2029 -14.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 -15.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2154 -15.9073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6226 -14.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7712 -12.1664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7712 -12.9914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0567 -11.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 -13.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3423 -12.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3423 -12.9914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4857 -11.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4857 -13.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6278 -13.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6278 -11.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9133 -12.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 -10.5164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6291 -11.3414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9147 -10.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9147 -11.7539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2002 -10.5164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2002 -11.3414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3436 -10.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3436 -11.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9146 -12.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4857 -10.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0582 -8.0413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0582 -8.8663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3437 -7.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3437 -9.2788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6292 -8.0413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6292 -8.8663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7727 -7.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7727 -9.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9147 -9.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9147 -7.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 -8.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 -14.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 6 0 0 0 2 1 1 0 0 0 0 2 7 1 6 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 4 8 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 9 1 1 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 6 0 0 0 11 13 1 0 0 0 0 11 17 1 1 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 1 0 0 0 14 15 1 0 0 0 0 14 19 1 1 0 0 0 15 18 1 6 0 0 0 20 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 1 0 0 0 22 24 1 0 0 0 0 22 28 1 6 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 26 1 0 0 0 0 25 30 1 6 0 0 0 26 16 1 1 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 6 0 0 0 32 34 1 0 0 0 0 32 38 1 6 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 27 1 1 0 0 0 35 36 1 0 0 0 0 35 40 1 1 0 0 0 36 39 1 1 0 0 0 41 40 1 0 0 0 0 M END $$$$ 136094_p OpenBabel02171217032D 110117 0 0 0 0 0 0 0 0999 V2000 17.4341 -17.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7284 -16.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8968 -14.2612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8968 -15.0862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6113 -13.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6113 -15.4987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3258 -14.2612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3258 -15.0862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6113 -16.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0403 -15.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0403 -13.8487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7548 -14.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4693 -13.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0403 -13.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0227 -17.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1397 -16.7312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3170 -16.7312 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.7245 -16.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9096 -17.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4679 -15.9112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4679 -16.7362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7535 -15.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7535 -17.1487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0390 -15.9112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0390 -16.7362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1825 -17.1487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7534 -17.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3245 -17.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3245 -15.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6101 -15.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1826 -17.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4682 -18.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8972 -18.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -18.7565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2188 -19.5815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5042 -18.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -19.9940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7898 -18.7565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7898 -19.5815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9332 -18.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 -19.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -20.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 -19.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 -18.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3608 -18.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0767 -17.1065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0767 -17.9315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3622 -16.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -18.3440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6477 -17.1065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6477 -17.9315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7912 -16.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7912 -18.3440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3621 -19.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 -16.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -17.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5056 -17.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5056 -17.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2201 -18.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5057 -14.6315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5057 -15.4565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7912 -14.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7912 -15.8690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0767 -14.6315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0767 -15.4565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2202 -14.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 -15.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -15.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -14.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -14.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3636 -12.9814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3636 -13.8064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6491 -12.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 -14.2189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9346 -12.9814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9346 -13.8064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0781 -12.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 -14.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 -15.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 -12.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5057 -12.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2216 -11.3314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2216 -12.1564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5071 -10.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 -12.5689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7926 -11.3314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7926 -12.1564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9360 -10.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9360 -12.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 -13.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 -10.9189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0781 -10.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3069 -11.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5357 -10.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0795 -9.6814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0795 -10.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3650 -9.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3650 -10.9189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6505 -9.6814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6505 -10.5064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4920 -8.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3650 -11.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9360 -9.2689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2216 -9.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9045 -9.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3170 -8.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3170 -10.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 -9.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9360 -8.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1824 -15.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 90 1 1 0 0 0 4 6 1 0 0 0 0 4110 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 1 0 0 0 9 17 1 0 0 0 0 11 14 1 1 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 2 1 0 0 0 0 16 1 1 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20110 1 6 0 0 0 21 23 1 0 0 0 0 21 26 1 6 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 1 0 0 0 24 25 1 0 0 0 0 24 29 1 1 0 0 0 25 28 1 6 0 0 0 26 31 1 0 0 0 0 30 29 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 1 0 0 0 35 37 1 0 0 0 0 35 41 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 39 1 0 0 0 0 38 44 1 1 0 0 0 39 43 1 1 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 1 0 0 0 47 49 1 0 0 0 0 47 53 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 54 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 40 1 6 0 0 0 53 57 1 0 0 0 0 56 55 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 66 1 1 0 0 0 61 63 1 0 0 0 0 61 67 1 6 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 63 52 1 1 0 0 0 64 65 1 0 0 0 0 64 69 1 1 0 0 0 65 68 1 1 0 0 0 70 69 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 71 77 1 1 0 0 0 72 74 1 0 0 0 0 72 78 1 6 0 0 0 73 75 1 0 0 0 0 74 76 1 0 0 0 0 74 79 1 1 0 0 0 75 76 1 0 0 0 0 75 80 1 1 0 0 0 76 66 1 6 0 0 0 81 80 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 82 88 1 6 0 0 0 83 85 1 0 0 0 0 83 89 1 1 0 0 0 85 87 1 0 0 0 0 85 90 1 1 0 0 0 86 84 1 1 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 87 77 1 6 0 0 0 91 92 1 6 0 0 0 93 91 1 0 0 0 0 94 93 1 0 0 0 0 95 96 1 0 0 0 0 95 97 1 0 0 0 0 95101 1 6 0 0 0 96 98 1 0 0 0 0 98100 1 0 0 0 0 98102 1 1 0 0 0 99 97 1 1 0 0 0 99100 1 0 0 0 0 99103 1 0 0 0 0 100 88 1 1 0 0 0 103109 1 1 0 0 0 104103 1 0 0 0 0 105 95 1 0 0 0 0 106105 1 0 0 0 0 107105 2 0 0 0 0 108104 1 0 0 0 0 M END $$$$ 136095_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 9.8819 -17.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1704 -17.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -17.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9155 -18.4940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3280 -19.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0905 -18.4940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6780 -19.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8251 -16.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 -16.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0387 -17.4959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4553 -18.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8355 -17.7094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8355 -16.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 3 12 1 0 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 9 1 0 0 0 0 10 8 1 0 0 0 0 10 11 1 6 0 0 0 12 6 1 0 0 0 0 12 10 1 0 0 0 0 12 13 1 1 0 0 0 M RAD 1 2 2 M END $$$$ 136096_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 11.4723 -4.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7578 -4.6922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7578 -5.5173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0433 -4.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0432 -5.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3289 -4.6921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3289 -5.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4721 -5.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0431 -6.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6144 -5.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6146 -4.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -5.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1855 -5.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -4.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3287 -7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4721 -6.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 6 0 0 0 6 7 1 0 0 0 0 6 11 1 6 0 0 0 7 10 1 6 0 0 0 8 16 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END $$$$ 136097_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 11.4726 -1.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7582 -2.2175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1871 -2.2175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1871 -3.0425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4726 -3.4550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7582 -3.0425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9015 -1.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9015 -3.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -4.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0437 -1.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7581 -4.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7581 -5.5175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0436 -4.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0435 -5.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3292 -4.6922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3292 -5.5173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4725 -5.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0434 -6.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 -5.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6148 -4.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9003 -5.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0437 -3.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 -5.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9004 -4.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3290 -7.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4725 -6.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 1 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 4 8 1 6 0 0 0 4 5 1 0 0 0 0 5 9 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 22 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 9 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 6 0 0 0 16 19 1 6 0 0 0 17 26 1 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 M END $$$$ 136098_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 9.0881 -5.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3736 -5.6921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3736 -6.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6592 -5.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 -6.9297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9448 -5.6921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9448 -6.5172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0881 -6.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 -7.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -6.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -5.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 -6.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 6 0 0 0 6 7 1 0 0 0 0 6 11 1 6 0 0 0 7 10 1 1 0 0 0 10 12 1 0 0 0 0 M END $$$$ 136099_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 10.8741 -4.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1597 -5.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5886 -5.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5886 -5.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8741 -6.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1597 -5.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3030 -4.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8741 -7.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4453 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4452 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 -7.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7309 -5.8983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0163 -6.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7309 -5.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 -5.8983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0165 -4.6609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3019 -5.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0163 -7.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5873 -6.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5874 -4.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 -3.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -3.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 6 0 0 0 3 1 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 9 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 6 0 0 0 17 18 1 0 0 0 0 17 22 1 6 0 0 0 18 21 1 1 0 0 0 21 23 1 0 0 0 0 M END $$$$ 136100_p OpenBabel02171217032D 27 28 0 0 0 0 0 0 0 0999 V2000 16.8958 -4.2840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8958 -5.1090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1813 -3.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -5.5215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4668 -4.2840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4668 -5.1090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6103 -3.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6103 -5.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -6.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7524 -5.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7524 -3.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 -4.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 -5.9340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0379 -6.7590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3234 -5.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3234 -7.1715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6090 -5.9340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6090 -6.7590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7524 -7.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3234 -7.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -7.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -5.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 -5.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 -5.5215 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 -5.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 -4.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 -6.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 M END $$$$ 136101_p OpenBabel02171217032D 38 40 0 0 0 0 0 0 0 0999 V2000 16.8958 -4.2144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8958 -5.0394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1813 -3.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -5.4519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4668 -4.2144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4668 -5.0394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6103 -3.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6103 -5.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -6.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7524 -5.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7524 -3.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 -4.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 -5.8644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0379 -6.6894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3234 -5.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3234 -7.1019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6090 -5.8644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6090 -6.6894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7524 -7.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3234 -7.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -7.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -5.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 -5.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6089 -8.3394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6089 -9.1644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8944 -7.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8944 -9.5769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1799 -8.3394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1799 -9.1644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3234 -9.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8944 -10.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 -9.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 -7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 -8.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 -5.4519 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.7511 -5.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 -4.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 -6.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 M END $$$$ 136102_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 18.1881 -0.4374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1881 -1.2624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4737 -0.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4737 -1.6749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7592 -0.4374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7592 -1.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9026 -0.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9026 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4736 -2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0447 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0447 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3302 -0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3303 -2.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3303 -2.9124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6157 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6157 -3.3249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9013 -2.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9013 -2.9124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0447 -3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6157 -4.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1868 -3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1868 -1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 -2.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9012 -4.5624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9012 -5.3874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1867 -4.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1867 -5.7999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4723 -4.5624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4723 -5.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7052 -6.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1867 -6.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7578 -5.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7578 -4.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0433 -4.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2750 -7.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6076 -7.5475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9424 -7.5475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6876 -8.3321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1724 -8.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8625 -8.3321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3776 -8.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8229 -7.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2097 -7.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7578 -1.6749 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0433 -2.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7578 -0.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5443 -2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 40 1 0 0 0 0 36 42 1 6 0 0 0 37 30 1 1 0 0 0 38 37 1 0 0 0 0 38 39 1 6 0 0 0 40 38 1 0 0 0 0 40 41 1 1 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 44 47 1 0 0 0 0 M END $$$$ 136103_p OpenBabel02171217032D 60 64 0 0 0 0 0 0 0 0999 V2000 18.1880 -0.4374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1880 -1.2624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4735 -0.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4735 -1.6749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7590 -0.4374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7590 -1.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9024 -0.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9024 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4734 -2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0446 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0446 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3301 -0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3301 -2.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3301 -2.9124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6156 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6156 -3.3249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9011 -2.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9011 -2.9124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0446 -3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6155 -4.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1867 -3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1867 -1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4722 -2.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9011 -4.5624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9011 -5.3874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1865 -4.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 -5.7999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4721 -4.5624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4721 -5.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1865 -6.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 -5.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 -4.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0432 -4.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6155 -5.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4721 -7.0374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4721 -7.8624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7576 -6.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7576 -8.2749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0432 -7.0374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0432 -7.8624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7576 -9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3286 -8.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3286 -6.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6142 -7.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 -8.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0431 -9.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0431 -10.3374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3286 -9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3286 -10.7499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6141 -9.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6141 -10.3374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3286 -11.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8996 -10.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8996 -9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1852 -9.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7576 -10.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 -1.6749 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0433 -2.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 -0.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5442 -2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 1 0 0 0 25 27 1 0 0 0 0 25 34 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 1 0 0 0 28 29 1 0 0 0 0 28 32 1 1 0 0 0 29 31 1 1 0 0 0 33 32 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 30 1 1 0 0 0 36 38 1 0 0 0 0 36 45 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 1 0 0 0 39 40 1 0 0 0 0 39 43 1 1 0 0 0 40 42 1 1 0 0 0 44 43 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 41 1 1 0 0 0 47 49 1 0 0 0 0 47 56 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 1 0 0 0 50 51 1 0 0 0 0 50 54 1 1 0 0 0 51 53 1 1 0 0 0 55 54 1 0 0 0 0 57 58 1 0 0 0 0 57 59 2 0 0 0 0 57 60 1 0 0 0 0 M END $$$$ 136104_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 13.8344 -3.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8344 -4.1648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1199 -2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1199 -4.5773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4054 -3.3398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4054 -4.1648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5488 -2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5886 -5.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1199 -5.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 -4.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 -2.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9765 -3.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8344 -6.3614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8344 -7.1864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1199 -5.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1199 -7.5989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4054 -6.3614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4054 -7.1864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5488 -7.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1199 -8.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 -7.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 -5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9765 -6.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 136105_p OpenBabel02171217032D 11 11 0 0 0 0 0 0 0 0999 V2000 10.3157 -18.9620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3157 -20.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1639 -18.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1639 -20.9570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0121 -18.9620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0121 -20.2920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4675 -18.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4675 -20.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1638 -22.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 -20.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 -18.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 M END $$$$ 136106_p OpenBabel02171217032D 183193 0 0 0 0 0 0 0 0999 V2000 22.8574 -16.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1517 -15.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3201 -13.2636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3201 -14.0885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0346 -12.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0346 -14.5010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7491 -13.2636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7491 -14.0885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0346 -15.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4636 -14.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4636 -12.8511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1781 -13.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8926 -12.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4636 -12.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4460 -16.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5630 -15.7335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7403 -15.7335 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.1478 -15.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3329 -16.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8912 -14.9135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8912 -15.7385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1768 -14.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1768 -16.1510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4624 -14.9135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4624 -15.7385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6058 -16.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1767 -16.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7478 -16.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7478 -14.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0335 -14.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6059 -16.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8916 -17.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -17.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6057 -14.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5568 -16.5064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5568 -17.3314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8422 -16.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8422 -17.7438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1278 -16.5064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1278 -17.3314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2712 -16.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2712 -17.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8422 -18.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4133 -17.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4133 -16.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -16.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4146 -14.8564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4146 -15.6813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7002 -14.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7002 -16.0938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9856 -14.8564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9856 -15.6813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1291 -14.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1291 -16.0938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7000 -16.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2712 -14.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5567 -14.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8435 -15.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8435 -14.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5580 -16.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8436 -12.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8436 -13.2064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1291 -11.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1291 -13.6189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4146 -12.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4146 -13.2064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5581 -11.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5581 -13.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7002 -13.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7002 -11.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9857 -12.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7014 -10.7314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7014 -11.5564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9870 -10.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9870 -11.9689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2724 -10.7314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2724 -11.5564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4159 -10.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4159 -11.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9870 -12.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5581 -10.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8436 -10.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5594 -9.0814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5594 -9.9064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8449 -8.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8449 -10.3189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1304 -9.0814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1304 -9.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2738 -8.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2738 -10.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8648 -11.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4159 -8.6689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4159 -7.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6447 -9.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8736 -8.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4173 -7.4315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4173 -8.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7028 -7.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7028 -8.6689 0.0000 C 0 0 2 0 0 0 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0 0 10.1519 -13.0111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1519 -13.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8664 -12.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8664 -14.2486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5808 -13.0111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5808 -13.8361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4374 -12.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4374 -14.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8664 -15.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 -12.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4388 -17.1361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4388 -17.9611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1533 -16.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1533 -18.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8677 -17.1361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8677 -17.9611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7243 -18.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5823 -18.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5823 -16.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 18 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 6 0 0 0 27 28 1 0 0 0 0 27 32 1 6 0 0 0 28 31 1 1 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 6 0 0 0 35 37 1 0 0 0 0 35 41 1 1 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 39 1 0 0 0 0 38 43 1 1 0 0 0 39 29 1 6 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 30 1 1 0 0 0 45 47 1 0 0 0 0 45 50 1 1 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 48 52 1 6 0 0 0 49 51 1 6 0 0 0 M END $$$$ 136778_p OpenBabel02171217032D 88 93 0 0 0 0 0 0 0 0999 V2000 20.6408 -6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9351 -5.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1036 -3.2044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1036 -4.0294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8181 -2.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8181 -4.4419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5325 -3.2044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5325 -4.0294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8181 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2471 -4.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2471 -2.7919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9615 -3.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6760 -2.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2471 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2294 -6.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3464 -5.6744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5237 -5.6744 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.9313 -4.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1164 -6.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6747 -4.8544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6747 -5.6794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9603 -4.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9603 -6.0919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2458 -4.8544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2458 -5.6794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3893 -6.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9602 -6.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5314 -6.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5314 -4.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8170 -4.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3894 -6.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 -7.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1040 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9981 -5.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7126 -3.5747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7126 -4.3997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9981 -3.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9981 -4.8122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2836 -3.5747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2836 -4.3997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4271 -3.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4271 -4.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 -4.8121 0.0000 O 0 0 0 0 0 0 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7139 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2849 0.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2849 1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5137 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7426 0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2863 1.3753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2863 0.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5717 1.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5717 0.1378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8573 1.3753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8573 0.5503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6987 2.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5717 -0.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1428 1.7878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4284 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1112 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5237 2.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5237 0.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7139 1.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1428 2.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3892 -4.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8573 2.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9994 0.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5325 -2.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 65 1 1 0 0 0 4 6 1 0 0 0 0 4 85 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 7 5 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 88 1 1 0 0 0 8 10 1 1 0 0 0 9 17 1 0 0 0 0 11 14 1 1 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 2 1 0 0 0 0 16 1 1 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 85 1 6 0 0 0 21 23 1 0 0 0 0 21 26 1 6 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 1 0 0 0 24 25 1 0 0 0 0 24 29 1 1 0 0 0 25 28 1 6 0 0 0 26 31 1 0 0 0 0 30 29 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 1 0 0 0 36 38 1 0 0 0 0 36 42 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 34 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 1 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 1 0 0 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0 0 0 0 0 0 0 0 0 10.3735 -5.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 -6.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5155 -5.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5155 -4.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 -3.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 -2.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -5.3093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0865 -5.7218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8010 -4.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 -5.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -4.0717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3720 -4.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0866 -6.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 -4.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0864 -3.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 -7.3717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6589 -7.7842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2300 -7.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6588 -8.6093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2300 -8.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9444 -9.0217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3734 -7.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3932 -9.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9444 -9.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5155 -9.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5155 -9.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5169 -4.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5168 -5.3092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8024 -4.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8024 -5.7217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0879 -4.4842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0879 -5.3092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2313 -4.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2313 -5.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 -6.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3735 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -11.8395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0819 -12.2520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7965 -11.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3675 -11.8396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0820 -10.6021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3675 -11.0146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5109 -12.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -13.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -12.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 -10.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -9.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3675 -9.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 -11.8396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2239 -12.2521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9384 -11.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5095 -11.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -10.6019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5094 -11.0145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2240 -13.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 -10.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -9.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -13.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7964 -14.3145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3674 -14.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7963 -15.1395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3674 -15.1394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0818 -15.5520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5108 -13.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5107 -15.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 -16.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 -15.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 -16.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6543 -11.0145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6543 -11.8395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9398 -10.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9398 -12.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2254 -11.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2254 -11.8395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3687 -12.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9397 -13.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5109 -10.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 8 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 1 0 0 0 32 31 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 1 0 0 0 34 36 1 0 0 0 0 34 40 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 41 1 6 0 0 0 37 38 1 0 0 0 0 37 42 1 6 0 0 0 38 7 1 1 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 49 1 6 0 0 0 44 46 1 0 0 0 0 44 50 1 1 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 51 1 1 0 0 0 47 48 1 0 0 0 0 47 53 1 1 0 0 0 48 52 1 6 0 0 0 54 53 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 51 1 6 0 0 0 56 58 1 0 0 0 0 56 61 1 1 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 1 0 0 0 60 62 1 6 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64 50 1 6 0 0 0 65 67 1 0 0 0 0 65 70 1 6 0 0 0 66 68 1 0 0 0 0 67 69 1 0 0 0 0 67 71 1 1 0 0 0 68 69 1 0 0 0 0 68 73 1 1 0 0 0 69 72 1 1 0 0 0 74 73 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 75 29 1 1 0 0 0 76 78 1 0 0 0 0 76 81 1 6 0 0 0 77 79 1 0 0 0 0 78 80 1 0 0 0 0 78 82 1 6 0 0 0 79 80 1 0 0 0 0 79 83 1 6 0 0 0 80 49 1 1 0 0 0 M END $$$$ 136791_p OpenBabel02171217032D 55 59 0 0 0 0 0 0 0 0999 V2000 13.0696 -5.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7841 -3.7115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7841 -4.5365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0696 -3.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 -4.9490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3552 -3.7115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3552 -4.5365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4986 -3.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4986 -4.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6407 -4.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6407 -3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 -9.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 -6.5990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7841 -7.0115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3551 -7.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7841 -7.8365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3552 -7.8365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0696 -8.2490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4985 -6.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4985 -8.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6406 -8.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3552 -9.4865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3552 -10.3116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6407 -9.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6407 -10.7241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9262 -9.4865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9262 -10.3116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0696 -10.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6407 -11.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2116 -10.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2116 -9.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4971 -9.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9261 -11.9617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9261 -12.7868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2116 -11.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2116 -13.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4971 -11.9617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4971 -12.7868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6407 -13.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7825 -13.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7825 -11.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6407 -2.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9262 -4.5365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2118 -4.9489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9262 -3.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4972 -4.5364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2118 -3.2989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4973 -3.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2117 -5.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 -4.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 -3.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2118 -2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4974 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5165 -3.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0478 -10.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 1 0 0 0 8 54 1 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 1 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 6 0 0 0 17 18 1 0 0 0 0 17 21 1 6 0 0 0 18 12 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 12 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 28 55 1 0 0 0 0 32 31 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 29 1 6 0 0 0 34 36 1 0 0 0 0 34 39 1 1 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 1 0 0 0 38 40 1 6 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 10 1 6 0 0 0 44 46 1 0 0 0 0 44 49 1 6 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 50 1 1 0 0 0 47 48 1 0 0 0 0 47 52 1 1 0 0 0 48 51 1 6 0 0 0 53 52 1 0 0 0 0 M END $$$$ 136794_p OpenBabel02171217032D 22 22 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 0.4126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4288 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 1 0 0 0 2 3 1 0 0 0 0 3 19 1 1 0 0 0 3 4 1 0 0 0 0 4 7 1 6 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 6 0 0 0 13 15 1 0 0 0 0 17 1 1 0 0 0 0 17 5 1 0 0 0 0 17 6 1 0 0 0 0 17 18 1 6 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 M END $$$$ 136899_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 8.6546 -12.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 -10.5759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3691 -11.4009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6546 -10.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -11.8134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9401 -10.5759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9401 -11.4009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0835 -10.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0835 -11.8134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2256 -11.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2256 -10.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 -10.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 -8.9259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0835 -9.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7980 -8.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 -8.9259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0835 -7.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3691 -8.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5125 -9.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -9.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -7.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0835 -6.8634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3690 -6.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 -7.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 -6.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3690 -5.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0835 -12.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 -13.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 -13.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 -9.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3704 -10.1634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6559 -8.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6559 -10.5759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9415 -9.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9415 -10.1634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0849 -8.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0849 -10.5759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6559 -11.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2270 -10.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2270 -8.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 1 0 0 0 9 27 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 8 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 6 0 0 0 18 21 1 6 0 0 0 19 40 1 0 0 0 0 22 25 1 1 0 0 0 23 22 1 0 0 0 0 23 26 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 36 1 6 0 0 0 31 33 1 0 0 0 0 31 37 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 38 1 1 0 0 0 34 35 1 0 0 0 0 34 40 1 1 0 0 0 35 39 1 6 0 0 0 M END $$$$ 136906_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 6 0 0 0 9 6 1 0 0 0 0 10 8 1 6 0 0 0 11 12 1 0 0 0 0 M END $$$$ 136907_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6674 -0.4849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4521 -0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.2695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8974 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.2695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8974 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 -0.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 -0.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 6 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 6 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 10 1 0 0 0 0 M END $$$$ 137338_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 13.4924 -4.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4924 -5.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7779 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7779 -6.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0634 -4.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0634 -5.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2068 -4.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2068 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7779 -6.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3489 -6.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3489 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6344 -4.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6344 -6.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6344 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9198 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9198 -7.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2055 -6.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2055 -7.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3489 -7.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9198 -8.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 -7.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7766 -6.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7766 -8.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7766 -8.9958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0621 -7.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0621 -9.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3476 -8.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3476 -8.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4910 -9.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 -10.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 -9.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9186 -8.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3500 -3.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3500 -4.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6356 -2.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6356 -4.4582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9212 -3.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9212 -4.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0644 -2.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0644 -4.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6356 -5.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2068 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4923 -3.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 21 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 1 0 0 0 36 38 1 0 0 0 0 36 42 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 43 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 7 1 6 0 0 0 45 44 1 0 0 0 0 M END $$$$ 137340_p OpenBabel02171217032D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.7417 1.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7417 0.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0296 -0.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3176 0.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3176 1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4573 1.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4598 2.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 1.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4555 -0.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 -0.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -0.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 1 0 0 0 2 3 1 0 0 0 0 2 11 1 6 0 0 0 3 9 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 6 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 M END $$$$ 137354_p OpenBabel02171217032D 46 49 0 0 0 0 0 0 0 0999 V2000 14.9576 -16.2714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9576 -17.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2430 -15.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2430 -17.5089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5286 -16.2714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5286 -17.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6720 -15.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6720 -17.5089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2430 -18.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -17.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -15.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3865 -17.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1009 -17.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3865 -16.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -15.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0996 -17.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3852 -17.5089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0996 -16.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 -17.0963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3852 -15.8589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6707 -16.2713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3851 -18.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9563 -17.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9563 -15.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3852 -15.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8305 -19.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2430 -19.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0055 -19.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8304 -20.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5930 -19.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0055 -20.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0680 -19.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2429 -21.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5929 -21.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -19.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3555 -20.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7824 -20.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7824 -21.0004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4970 -19.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4970 -21.4129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2114 -20.1754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2114 -21.0004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1574 -21.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4970 -22.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9259 -21.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9259 -19.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 1 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 6 0 0 0 20 21 1 0 0 0 0 20 25 1 6 0 0 0 21 24 1 6 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 9 1 1 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 1 0 0 0 36 35 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 32 1 6 0 0 0 38 40 1 0 0 0 0 38 43 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 45 1 1 0 0 0 M END $$$$ 137472_p OpenBabel02171217032D 13 12 0 0 0 0 0 0 0 0999 V2000 1.4289 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 0.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 7 1 6 0 0 0 3 2 1 0 0 0 0 3 8 1 6 0 0 0 4 3 1 0 0 0 0 4 9 1 1 0 0 0 5 4 1 0 0 0 0 5 10 1 1 0 0 0 6 1 2 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 137473_p OpenBabel02171217032D 16 15 0 0 0 0 0 0 0 0999 V2000 12.2740 -4.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 -5.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 -6.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 -8.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 -9.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 -10.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4258 -11.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4258 -3.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9440 -5.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 -5.4277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9440 -6.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 -6.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9440 -8.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 -8.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9440 -9.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 -9.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 1 0 0 0 3 2 1 0 0 0 0 3 11 1 1 0 0 0 3 12 1 1 0 0 0 4 3 1 0 0 0 0 4 13 1 1 0 0 0 4 14 1 1 0 0 0 5 4 1 0 0 0 0 5 15 1 1 0 0 0 5 16 1 1 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 M END $$$$ 137476_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 17.5413 -5.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5411 -7.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8266 -6.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8266 -7.0448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1045 -5.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1042 -7.4590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3860 -6.2197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3860 -7.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1079 -8.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6791 -5.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6788 -7.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3953 -8.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9618 -7.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 2 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 7 10 1 6 0 0 0 7 8 1 0 0 0 0 8 11 1 1 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 137477_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 17.5413 -5.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5411 -7.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8266 -6.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8266 -7.0448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1045 -5.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1042 -7.4590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3860 -6.2197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3860 -7.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1079 -8.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6791 -5.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6788 -7.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3953 -8.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 2 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 7 10 1 6 0 0 0 7 8 1 0 0 0 0 8 11 1 1 0 0 0 9 12 1 0 0 0 0 M END $$$$ 137478_p OpenBabel02171217032D 17 17 0 0 0 0 0 0 0 0999 V2000 22.8990 -2.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4701 -5.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1845 -3.1291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1845 -3.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4702 -2.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4701 -4.3666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7557 -3.1291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7557 -3.9541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8990 -4.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0412 -4.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0412 -2.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7556 -5.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3268 -3.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8989 -5.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.7239 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0739 -5.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8988 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 1 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 2 1 6 0 0 0 7 8 1 0 0 0 0 7 11 1 6 0 0 0 8 10 1 1 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 15 14 2 0 0 0 0 16 14 2 0 0 0 0 17 14 1 0 0 0 0 M END $$$$ 137483_p OpenBabel02171217032D 181196 0 0 0 0 0 0 0 0999 V2000 14.7921 6.0788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7954 6.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5065 5.6663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2243 6.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5032 4.8413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1979 3.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7856 4.4288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7822 3.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0710 4.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0743 5.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3657 4.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0810 8.1413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0810 7.3163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3664 8.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3664 6.9038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6520 8.1413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6520 7.3163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7954 8.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3664 6.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9374 6.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9374 8.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 8.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5099 10.6163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5099 9.7913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7954 11.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7954 9.3788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0810 10.6163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0810 9.7913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2243 11.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2243 9.3788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3664 9.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3664 11.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6520 10.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9388 9.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9389 10.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6533 9.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9364 13.0899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6516 13.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9380 12.2649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6549 11.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2227 11.8538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5058 12.2677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7905 11.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5042 13.0927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2194 13.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7996 13.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4801 -4.5368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4833 -3.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1945 -4.9493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9123 -4.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1912 -5.7743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9056 -7.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4735 -6.1868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4702 -7.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7590 -5.7743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7623 -4.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0537 -6.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7689 -2.4744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7689 -3.2994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0544 -2.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0544 -3.7118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3399 -2.4744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3399 -3.2994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4833 -2.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0544 -4.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6254 -3.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6254 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9110 -2.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1979 0.0006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1979 -0.8244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4833 0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4833 -1.2369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7689 0.0006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7689 -0.8244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9123 0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9123 -1.2369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0544 -1.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0544 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6267 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6269 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3413 -1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6244 2.4742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6259 1.6492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3429 1.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9107 1.2381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1938 1.6520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4785 1.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1922 2.4770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9074 2.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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9.2040 -14.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 -12.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4896 -12.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7765 -10.3964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7765 -11.2214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0619 -9.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0619 -11.6339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3475 -10.3964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3475 -11.2214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4909 -9.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4909 -11.6339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6330 -11.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6330 -9.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9186 -10.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2054 -11.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2054 -10.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9198 -11.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2030 -7.9228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2046 -8.7478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9215 -9.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4893 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0 0 0 0 0 0 0 0 0 0 0 0 13.6078 -22.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8909 -18.5384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8925 -19.3634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6094 -19.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1772 -19.7745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4604 -19.3606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7450 -19.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4588 -18.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1740 -18.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -18.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 6 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 0 0 0 0 9 11 1 6 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 2 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 18 1 1 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2210 -8.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -6.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 6 0 0 0 3 5 1 0 0 0 0 3 1 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 6 0 0 0 17 18 1 0 0 0 0 17 22 1 6 0 0 0 18 12 1 1 0 0 0 23 8 1 6 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 1 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 27 30 1 6 0 0 0 28 26 1 0 0 0 0 28 29 1 1 0 0 0 M END $$$$ 137587_p OpenBabel02171217032D 77 79 0 0 0 0 0 0 0 0999 V2000 11.1400 -5.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -6.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -6.0041 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 -6.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 -7.2416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7109 -7.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7109 -8.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9965 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -8.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8543 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -7.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4255 -8.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4255 -9.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -6.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5689 -6.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5689 -5.1791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2833 -4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2832 -3.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9977 -3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7122 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9975 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9965 -6.4166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2821 -6.0041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7111 -6.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2821 -5.1789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7111 -5.1791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9967 -4.7666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9965 -7.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5676 -6.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5677 -4.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 -3.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 -4.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4257 -3.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5690 -7.6541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2834 -7.2416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5690 -8.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9979 -7.6541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2834 -8.8916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9979 -8.4791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8545 -7.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2834 -6.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7124 -7.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7124 -8.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2834 -9.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9979 -10.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4267 -3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1411 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8556 -3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5701 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2845 -3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9990 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7135 -3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7135 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9990 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2845 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5701 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8556 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1411 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4267 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -4.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -3.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1399 -3.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5688 -3.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1398 -2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4253 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4252 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7105 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9960 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9959 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7104 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4249 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1395 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1396 -1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8541 -1.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8542 -2.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 2 1 0 0 0 0 3 14 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 1 0 0 0 7 12 1 0 0 0 0 7 8 1 1 0 0 0 9 11 1 0 0 0 0 9 10 1 1 0 0 0 11 40 1 6 0 0 0 12 9 1 0 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 60 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 6 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 1 0 0 0 26 27 1 0 0 0 0 26 32 1 1 0 0 0 27 31 1 6 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 6 0 0 0 35 37 1 0 0 0 0 35 41 1 1 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 39 1 0 0 0 0 38 44 1 1 0 0 0 39 43 1 6 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 M END $$$$ 137776_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 15.6303 -2.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6303 -3.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9158 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9158 -3.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2014 -2.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2014 -3.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3448 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3448 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9158 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4869 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4869 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7724 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2014 -4.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2014 -5.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4868 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4868 -5.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7724 -4.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7724 -5.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9158 -5.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4868 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0579 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0579 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 -4.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 -6.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3434 -7.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6289 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 -7.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9145 -6.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9145 -7.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0579 -7.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4855 -6.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6303 -5.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6303 -4.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3447 -5.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 35 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 21 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 137777_p OpenBabel02171217032D 21 21 0 0 0 0 0 0 0 0999 V2000 10.8070 -5.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0925 -5.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0925 -6.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3780 -5.2989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6635 -5.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0925 -4.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6635 -4.0615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6635 -3.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9491 -4.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2345 -4.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3780 -4.4739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3780 -3.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8070 -4.4739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8070 -6.9490 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.5214 -6.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8070 -7.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8070 -6.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5215 -4.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2195 -3.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0445 -3.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8070 -3.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 1 0 0 0 4 11 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 6 1 0 0 0 0 11 7 1 0 0 0 0 11 12 1 6 0 0 0 13 1 1 0 0 0 0 13 6 1 0 0 0 0 13 18 1 6 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 M END $$$$ 137778_p OpenBabel02171217032D 21 21 0 0 0 0 0 0 0 0999 V2000 13.4251 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7106 -5.9368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7106 -6.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9962 -5.5243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2817 -5.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7106 -4.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2817 -4.2869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2817 -3.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 -4.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8528 -4.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9962 -4.6994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9962 -3.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1395 -3.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1395 -4.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 -4.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4251 -4.6994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4251 -3.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2817 -6.7618 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5672 -7.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9962 -7.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1242 -7.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 1 0 0 0 4 11 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 6 1 0 0 0 0 11 7 1 0 0 0 0 11 12 1 6 0 0 0 14 13 2 0 0 0 0 14 15 1 0 0 0 0 16 1 1 0 0 0 0 16 6 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 137779_p OpenBabel02171217032D 54 57 0 0 0 0 0 0 0 0999 V2000 12.8871 -5.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 -5.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1725 -5.4510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1725 -6.2760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8870 -6.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 -6.6885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4581 -7.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 -6.2760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0292 -6.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 -4.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 -5.4510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3147 -5.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6003 -5.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -5.0384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0292 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 -7.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3148 -7.9258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6003 -6.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6003 -8.3383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8859 -7.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8859 -7.9258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0292 -8.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6003 -9.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1715 -8.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1715 -6.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -7.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7437 -8.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 -8.3385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1727 -8.7510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8871 -8.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1727 -9.5760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8871 -9.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4582 -9.9885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4582 -10.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -9.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7437 -9.5760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0293 -10.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 -11.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0293 -9.9885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3148 -9.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 -9.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 -8.7511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3160 -8.3385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3160 -7.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0305 -8.7510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7450 -8.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0306 -9.5760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7450 -9.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 -10.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3161 -9.9885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0306 -11.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0306 -12.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3161 -10.8135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6016 -11.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 3 1 1 6 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 6 0 0 0 11 8 1 0 0 0 0 11 10 1 6 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 14 15 1 6 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 9 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 6 0 0 0 26 25 1 0 0 0 0 27 36 1 0 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 29 28 1 0 0 0 0 29 30 1 1 0 0 0 31 29 1 0 0 0 0 31 32 1 1 0 0 0 33 31 1 0 0 0 0 33 34 1 6 0 0 0 36 33 1 0 0 0 0 36 35 1 6 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 39 37 1 0 0 0 0 39 40 1 6 0 0 0 41 50 1 0 0 0 0 41 42 1 0 0 0 0 42 30 1 6 0 0 0 43 42 1 0 0 0 0 43 44 1 1 0 0 0 45 43 1 0 0 0 0 45 46 1 1 0 0 0 47 45 1 0 0 0 0 47 48 1 6 0 0 0 50 47 1 0 0 0 0 50 49 1 6 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 53 51 1 0 0 0 0 53 54 1 6 0 0 0 M END $$$$ 138708_p OpenBabel02171217032D 24 24 0 0 0 0 0 0 0 0999 V2000 20.2264 -7.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5119 -8.3370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2264 -7.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5119 -9.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7975 -7.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0830 -8.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9409 -8.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3685 -8.7495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3685 -9.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6540 -8.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6540 -9.9871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9395 -8.7495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9395 -9.5746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6540 -10.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2250 -9.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2250 -8.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5106 -8.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0830 -10.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3685 -11.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0830 -9.9871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7975 -11.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7975 -7.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6553 -7.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2264 -9.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 1 0 0 0 2 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 7 1 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 6 1 6 0 0 0 9 11 1 0 0 0 0 9 20 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 13 15 1 1 0 0 0 17 16 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 M RAD 1 4 2 M END $$$$ 138709_p OpenBabel02171217032D 45 46 0 0 0 0 0 0 0 0999 V2000 23.9238 -16.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2094 -17.2529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9238 -16.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2094 -18.0779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4949 -16.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7804 -17.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6383 -17.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0659 -17.6654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0659 -18.4904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3514 -17.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3514 -18.9029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6370 -17.6654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6370 -18.4904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3514 -19.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9225 -18.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9225 -17.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2080 -17.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7804 -19.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0659 -20.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7804 -18.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4948 -20.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4935 -18.0779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4935 -18.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7791 -19.3155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0645 -18.9029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7791 -17.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0646 -18.0779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7911 -20.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4892 -20.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2534 -20.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4793 -19.5639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8641 -20.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0379 -17.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4936 -17.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7791 -16.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2081 -16.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1581 -18.0804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4436 -17.6679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7292 -18.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0147 -17.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4436 -16.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1581 -18.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4949 -16.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3528 -16.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9238 -18.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 1 0 0 0 2 5 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 7 1 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 6 1 6 0 0 0 9 11 1 0 0 0 0 9 20 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 13 15 1 1 0 0 0 17 16 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 22 23 1 0 0 0 0 22 17 1 6 0 0 0 22 34 1 1 0 0 0 24 23 1 0 0 0 0 24 28 1 6 0 0 0 25 24 1 0 0 0 0 25 31 1 1 0 0 0 26 22 1 0 0 0 0 27 25 1 0 0 0 0 27 26 1 0 0 0 0 27 33 1 1 0 0 0 27 37 1 0 0 0 0 30 29 2 0 0 0 0 31 29 1 0 0 0 0 32 29 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 6 0 0 0 38 39 1 0 0 0 0 38 41 1 1 0 0 0 39 40 1 0 0 0 0 M RAD 1 4 2 M END $$$$ 138710_p OpenBabel02171217032D 23 23 0 0 0 0 0 0 0 0999 V2000 10.1971 -7.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4826 -8.3172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1971 -7.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4826 -9.1422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 -7.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0537 -8.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 -8.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3392 -8.7297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3392 -9.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6247 -8.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 -9.9672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9102 -8.7297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9102 -9.5547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6246 -10.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 -9.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 -8.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 -8.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0536 -10.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3392 -11.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0537 -9.9672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 -11.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1971 -9.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6260 -7.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 1 0 0 0 2 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 7 1 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 6 1 6 0 0 0 9 11 1 0 0 0 0 9 20 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 13 15 1 1 0 0 0 17 16 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 M RAD 1 4 2 M END $$$$ 138711_p OpenBabel02171217032D 44 45 0 0 0 0 0 0 0 0999 V2000 11.5289 -17.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 -18.0978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5289 -16.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 -18.9228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -17.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -18.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2434 -18.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6711 -18.5103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6711 -19.3353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9565 -18.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9565 -19.7478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2421 -18.5103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2421 -19.3353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9565 -20.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5276 -19.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5276 -18.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8131 -18.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -20.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -20.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -19.7478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -20.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0987 -18.9228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0987 -19.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 -20.1603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6697 -19.7478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3842 -18.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 -18.9228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3962 -21.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0943 -21.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 -21.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0844 -20.4087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4692 -21.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -18.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0987 -18.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 -17.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 -17.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 -18.9253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0488 -18.5128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3343 -18.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -18.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0488 -17.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 -19.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9579 -17.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5290 -19.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 1 0 0 0 2 5 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 7 1 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 6 1 6 0 0 0 9 11 1 0 0 0 0 9 20 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 13 15 1 1 0 0 0 17 16 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 22 23 1 0 0 0 0 22 17 1 6 0 0 0 22 34 1 1 0 0 0 24 23 1 0 0 0 0 24 28 1 6 0 0 0 25 24 1 0 0 0 0 25 31 1 1 0 0 0 26 22 1 0 0 0 0 27 25 1 0 0 0 0 27 26 1 0 0 0 0 27 33 1 1 0 0 0 27 37 1 0 0 0 0 30 29 2 0 0 0 0 31 29 1 0 0 0 0 32 29 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 6 0 0 0 38 39 1 0 0 0 0 38 41 1 1 0 0 0 39 40 1 0 0 0 0 M RAD 1 4 2 M END $$$$ 138712_p OpenBabel02171217032D 121129 0 0 0 0 0 0 0 0999 V2000 4.7893 -20.1183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7893 -20.9433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0747 -19.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 -21.3558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3603 -20.1183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3603 -20.9433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5037 -19.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5037 -21.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 -22.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -21.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -19.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 -20.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6471 -18.4683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6471 -19.2933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9327 -18.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 -19.7058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2182 -18.4683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2182 -19.2933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3616 -18.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 -19.7058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 -20.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5037 -18.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 -18.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0761 -19.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0761 -18.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7906 -19.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 -15.9932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0762 -16.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3617 -15.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3617 -17.2307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6472 -15.9932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6472 -16.8182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7907 -15.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7907 -17.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 -17.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 -15.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2183 -15.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9341 -14.3432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9341 -15.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2196 -13.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2196 -15.5807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5051 -14.3432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5051 -15.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6486 -13.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6486 -15.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2195 -16.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7907 -13.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 -14.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7920 -12.6931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7920 -13.5181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0775 -12.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0775 -13.9307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3631 -12.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3631 -13.5181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5065 -12.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5065 -13.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0775 -14.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6486 -12.2806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9341 -12.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2196 -12.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6486 -11.4556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6499 -11.0431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6499 -11.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9354 -10.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9354 -12.2806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2209 -11.0431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2209 -11.8681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0624 -10.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9354 -13.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5065 -10.6306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7920 -11.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0775 -10.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5065 -9.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4750 -11.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8874 -10.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8874 -11.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6796 -17.5606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6796 -18.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9650 -17.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 -18.7981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2506 -17.5606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2506 -18.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3940 -17.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3940 -18.7981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 -19.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5361 -18.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5361 -17.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8216 -17.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1085 -15.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1085 -16.7356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8230 -15.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8230 -17.1481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5375 -15.9106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5375 -16.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8230 -17.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2520 -17.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2520 -15.4981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9664 -15.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6809 -15.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2520 -14.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5375 -18.3856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5375 -19.2106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2520 -17.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2520 -19.6232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9664 -18.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9664 -19.2106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8230 -19.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2520 -20.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6809 -19.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6809 -17.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3954 -18.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3954 -15.9106 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.1098 -15.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8243 -15.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5388 -15.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2533 -15.9107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3953 -16.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6089 -15.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3940 -19.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1084 -20.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6795 -20.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 6 0 0 0 20 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 1 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 19 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 1 0 0 0 39 41 1 0 0 0 0 39 45 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 33 1 6 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 50 56 1 1 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 53 51 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 44 1 6 0 0 0 58 61 1 6 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 68 1 6 0 0 0 63 65 1 0 0 0 0 65 67 1 0 0 0 0 65 69 1 1 0 0 0 66 64 1 1 0 0 0 66 67 1 0 0 0 0 66 70 1 0 0 0 0 67 55 1 1 0 0 0 70 73 1 1 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 74 62 1 0 0 0 0 75 74 1 0 0 0 0 76 74 2 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 77 83 1 6 0 0 0 78 80 1 0 0 0 0 78 84 1 6 0 0 0 79 81 1 0 0 0 0 80 82 1 0 0 0 0 80 85 1 1 0 0 0 81 82 1 0 0 0 0 81 87 1 1 0 0 0 82 86 1 6 0 0 0 84119 1 0 0 0 0 88 87 1 0 0 0 0 89 90 1 0 0 0 0 89 91 1 0 0 0 0 89 57 1 1 0 0 0 90 92 1 0 0 0 0 90 83 1 6 0 0 0 92 94 1 0 0 0 0 92 95 1 6 0 0 0 93 91 1 6 0 0 0 93 94 1 0 0 0 0 93 97 1 0 0 0 0 94 96 1 1 0 0 0 97100 1 1 0 0 0 98 97 1 0 0 0 0 99 98 1 0 0 0 0 99112 1 0 0 0 0 101102 1 0 0 0 0 101103 1 0 0 0 0 101 95 1 1 0 0 0 102104 1 0 0 0 0 102107 1 1 0 0 0 103105 1 0 0 0 0 104106 1 0 0 0 0 104108 1 6 0 0 0 105106 1 0 0 0 0 105110 1 6 0 0 0 106109 1 1 0 0 0 111110 1 0 0 0 0 112113 1 0 0 0 0 112117 2 0 0 0 0 112118 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 119120 2 0 0 0 0 119121 1 0 0 0 0 M END $$$$ 138949_p OpenBabel02171217032D 59 62 0 0 0 0 0 0 0 0999 V2000 12.3530 -2.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9241 -2.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6385 -2.9162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6385 -3.7412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3530 -4.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9241 -4.1537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9241 -4.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -3.7412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4952 -4.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -2.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -2.9162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7807 -2.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 -2.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -2.5036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4952 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -4.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -5.3912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2096 -6.2163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9240 -6.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 -6.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4950 -7.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7806 -6.2162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0662 -6.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7807 -4.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7807 -5.3912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3517 -5.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 -4.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 -4.9787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0663 -4.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2094 -7.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9239 -7.4538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6383 -7.8663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3527 -7.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6383 -8.6913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3529 -9.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9238 -9.1038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9237 -9.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 -8.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2094 -8.6913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4948 -9.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7803 -10.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4949 -9.1037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7804 -8.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4965 -2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 -2.5036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7820 -3.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 -2.0911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7820 -0.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3530 -0.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3530 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6387 -1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9242 -0.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 -1.2662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0676 -0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2109 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2109 -0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9254 -1.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4965 -1.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4965 -0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 3 1 1 6 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 6 0 0 0 11 8 1 0 0 0 0 11 10 1 6 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 14 15 1 6 0 0 0 16 25 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 6 0 0 0 18 17 1 0 0 0 0 18 19 1 1 0 0 0 20 18 1 0 0 0 0 20 21 1 1 0 0 0 22 20 1 0 0 0 0 22 23 1 6 0 0 0 25 22 1 0 0 0 0 25 24 1 6 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 28 26 1 0 0 0 0 28 29 1 6 0 0 0 30 39 1 0 0 0 0 30 31 1 0 0 0 0 31 19 1 6 0 0 0 32 31 1 0 0 0 0 32 33 1 1 0 0 0 34 32 1 0 0 0 0 34 35 1 1 0 0 0 36 34 1 0 0 0 0 36 37 1 6 0 0 0 39 36 1 0 0 0 0 39 38 1 6 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 42 40 1 0 0 0 0 42 43 1 6 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 45 47 1 0 0 0 0 47 1 1 1 0 0 0 47 53 1 0 0 0 0 49 50 1 1 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 53 48 1 0 0 0 0 53 49 1 0 0 0 0 53 54 1 6 0 0 0 56 55 2 0 0 0 0 56 57 1 0 0 0 0 58 44 1 0 0 0 0 58 48 1 0 0 0 0 58 56 1 0 0 0 0 58 59 1 6 0 0 0 M END $$$$ 138950_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 15.4248 -3.8865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4248 -4.7115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7104 -3.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7104 -5.1240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9959 -3.8865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9959 -4.7115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1393 -3.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1393 -5.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7103 -5.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2814 -5.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2814 -3.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5669 -3.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5670 -5.5365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5670 -6.3615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8524 -5.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8524 -6.7740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1380 -5.5365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1380 -6.3615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2814 -6.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8524 -7.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4235 -6.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4235 -5.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7090 -5.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1379 -8.0116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1379 -8.8366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4234 -7.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 -9.2491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7090 -8.0116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7090 -8.8366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8524 -9.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 -10.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9945 -9.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9945 -7.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 -8.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 M END $$$$ 139420_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 11.1343 -5.7627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1343 -6.5877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4199 -5.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4199 -7.0002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7055 -5.7627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7055 -6.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8487 -5.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8487 -7.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4199 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -7.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -5.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 -5.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 -8.2377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7054 -9.0627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9909 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -9.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -8.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2764 -9.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4199 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -7.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 M END $$$$ 139421_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 10.4198 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 -8.2377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7053 -9.0627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9908 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9908 -9.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -8.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2764 -9.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4198 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -7.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 M END $$$$ 139422_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 17.0398 -8.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3253 -9.2119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3253 -10.0368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6109 -8.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6109 -10.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8964 -9.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8964 -10.0368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0398 -10.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1819 -10.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1819 -8.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 1 0 0 0 M END $$$$ 139423_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 10.4198 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 -8.2377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7053 -9.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9908 -7.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9908 -9.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -8.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2764 -9.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4198 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -9.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5619 -7.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 M END $$$$ 139427_p OpenBabel02171217032D 93 98 0 0 0 0 0 0 0 0999 V2000 13.4868 -6.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6303 -5.1760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6303 -6.0010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9158 -4.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9158 -6.4135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2013 -5.1760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2013 -6.0010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3447 -4.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3447 -6.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9158 -7.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4868 -4.7635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4868 -3.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7156 -5.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9444 -4.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4882 -3.5259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4882 -4.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7736 -3.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7736 -4.7635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0592 -3.5259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0592 -4.3510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9006 -2.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7736 -5.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3447 -3.1134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6303 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3131 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7256 -2.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7256 -4.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9158 -3.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3447 -2.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0592 -2.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2013 -4.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2013 -7.6509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2013 -8.4759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4868 -7.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4868 -8.8884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7724 -7.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7724 -8.4759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2880 -9.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0578 -8.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0578 -7.2384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3434 -7.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 -7.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0578 -6.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9157 -8.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7724 -6.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9157 -9.7134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6302 -10.1259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2013 -10.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6303 -10.9509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2013 -10.9509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9158 -11.3634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3448 -9.7133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3446 -11.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9158 -12.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4869 -11.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4869 -12.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0592 -10.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0594 -10.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7736 -9.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 -10.1758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0963 -11.0006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3819 -9.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3819 -11.4131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6675 -10.1758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6675 -11.0006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8109 -11.4133 0.0000 O 0 0 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2022 -6.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2023 -5.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9166 -6.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1876 -8.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0127 -6.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8377 -6.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 6 0 0 0 7 1 1 6 0 0 0 11 12 1 6 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 6 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 17 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 30 1 6 0 0 0 20 8 1 1 0 0 0 23 29 1 1 0 0 0 24 23 1 0 0 0 0 25 15 1 0 0 0 0 26 25 1 0 0 0 0 27 25 2 0 0 0 0 28 24 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 10 1 6 0 0 0 33 35 1 0 0 0 0 33 44 1 1 0 0 0 35 37 1 0 0 0 0 35 38 1 1 0 0 0 36 34 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 36 45 1 6 0 0 0 37 39 1 6 0 0 0 40 43 1 6 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 71 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 44 1 6 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 52 57 1 0 0 0 0 56 55 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 38 1 1 0 0 0 61 63 1 0 0 0 0 61 66 1 6 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 63 67 1 1 0 0 0 64 65 1 0 0 0 0 64 68 1 1 0 0 0 65 70 1 6 0 0 0 69 68 1 0 0 0 0 72 71 1 0 0 0 0 72 75 1 0 0 0 0 73 71 1 0 0 0 0 74 71 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 79 22 1 6 0 0 0 80 82 1 0 0 0 0 82 84 1 0 0 0 0 82 85 1 1 0 0 0 83 81 1 0 0 0 0 83 84 1 0 0 0 0 83 86 1 0 0 0 0 83 93 1 6 0 0 0 84 78 1 1 0 0 0 86 92 1 1 0 0 0 87 86 1 0 0 0 0 88 79 1 0 0 0 0 89 88 2 0 0 0 0 90 88 1 0 0 0 0 91 87 1 0 0 0 0 M END $$$$ 139428_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 15.4166 -5.0842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4166 -5.9092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7021 -4.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7021 -6.3217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9877 -5.0842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9877 -5.9092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1311 -4.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1311 -6.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7021 -7.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2732 -6.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2732 -4.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5587 -5.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8443 -3.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8443 -4.6717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1297 -5.0843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1297 -5.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 -4.6717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7008 -5.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 -3.8467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7009 -3.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8443 -3.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1299 -3.4342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4155 -2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4155 -1.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1299 -2.6093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8444 -2.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 22 1 0 0 0 0 13 14 1 0 0 0 0 14 12 1 6 0 0 0 15 14 1 0 0 0 0 15 16 1 1 0 0 0 17 15 1 0 0 0 0 17 18 1 1 0 0 0 19 17 1 0 0 0 0 19 20 1 6 0 0 0 22 19 1 0 0 0 0 22 21 1 6 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 23 1 0 0 0 0 25 26 1 1 0 0 0 M END $$$$ 139969_p OpenBabel02171217032D 56 61 0 0 0 0 0 0 0 0999 V2000 11.7318 -5.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 -5.9751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3992 -5.9751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1838 -5.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1443 -6.7597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6292 -7.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3193 -6.7597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8344 -7.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2797 -5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6666 -6.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2642 -5.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5967 -6.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9315 -6.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6767 -6.8246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1615 -7.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8516 -6.8246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3667 -7.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 -5.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6406 -4.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1886 -5.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5211 -4.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8560 -4.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6011 -3.9385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0860 -2.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -3.9385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2912 -3.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 -4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -4.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 -2.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 -2.0700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5255 -2.0700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2706 -1.2854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7555 -0.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4456 -1.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9607 -0.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 -1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -7.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2471 -7.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5820 -7.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3271 -8.5317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8816 -9.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -8.5317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0171 -9.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -7.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -8.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 -9.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 -10.4706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2937 -10.4706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0388 -11.2551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5237 -11.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 -11.2551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7289 -11.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -10.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -10.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 -6.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 6 0 0 0 4 56 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 1 0 0 0 13 10 1 6 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 27 1 6 0 0 0 22 19 1 1 0 0 0 23 22 1 0 0 0 0 23 24 1 6 0 0 0 25 23 1 0 0 0 0 25 26 1 1 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 30 36 1 6 0 0 0 31 24 1 6 0 0 0 32 31 1 0 0 0 0 32 33 1 6 0 0 0 34 32 1 0 0 0 0 34 35 1 1 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 43 1 0 0 0 0 39 45 1 1 0 0 0 40 17 1 6 0 0 0 41 40 1 0 0 0 0 41 42 1 1 0 0 0 43 41 1 0 0 0 0 43 44 1 6 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 52 1 0 0 0 0 48 54 1 1 0 0 0 49 42 1 1 0 0 0 50 49 1 0 0 0 0 50 51 1 1 0 0 0 52 50 1 0 0 0 0 52 53 1 6 0 0 0 54 55 1 0 0 0 0 M END $$$$ 139970_p OpenBabel02171217032D 38 41 0 0 0 0 0 0 0 0999 V2000 22.4830 -14.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8156 -14.5864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1504 -14.5864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.9350 -14.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8955 -15.3710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3804 -16.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0704 -15.3710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5855 -16.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0309 -14.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4177 -14.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0153 -14.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3479 -14.6513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6827 -14.6513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4278 -15.4359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9126 -16.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6028 -15.4359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1179 -16.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5632 -14.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5683 -14.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9008 -14.5361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2357 -14.5361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9808 -15.3207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4657 -16.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1558 -15.3207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6709 -15.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1162 -14.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5029 -14.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2378 -16.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5704 -17.1893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9052 -17.1893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6503 -17.9738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1352 -18.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8253 -17.9738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3404 -18.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 -16.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1726 -17.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5482 -14.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9502 -14.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 6 0 0 0 4 37 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 1 0 0 0 13 10 1 6 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 20 26 1 1 0 0 0 21 38 1 6 0 0 0 22 21 1 0 0 0 0 22 23 1 1 0 0 0 24 22 1 0 0 0 0 24 25 1 6 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 33 1 0 0 0 0 29 35 1 1 0 0 0 30 23 1 1 0 0 0 31 30 1 0 0 0 0 31 32 1 1 0 0 0 33 31 1 0 0 0 0 33 34 1 6 0 0 0 35 36 1 0 0 0 0 M END $$$$ 139971_p OpenBabel02171217032D 38 41 0 0 0 0 0 0 0 0999 V2000 5.9145 -7.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2471 -7.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5820 -7.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3271 -8.5317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8816 -9.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -8.5317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0171 -9.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -7.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -8.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 -9.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 -10.4706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2937 -10.4706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0388 -11.2551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5237 -11.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 -11.2551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7289 -11.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -10.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -10.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7318 -5.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 -5.9751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3992 -5.9751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1838 -5.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1443 -6.7597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6292 -7.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3193 -6.7597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8344 -7.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2797 -5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6666 -6.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2642 -5.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5967 -6.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9315 -6.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6767 -6.8246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1615 -7.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8516 -6.8246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3667 -7.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 -5.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6406 -4.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 -6.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 1 0 0 0 3 35 1 6 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 6 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 1 0 0 0 12 5 1 1 0 0 0 13 12 1 0 0 0 0 13 14 1 1 0 0 0 15 13 1 0 0 0 0 15 16 1 6 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 20 27 1 1 0 0 0 21 22 1 6 0 0 0 22 38 1 0 0 0 0 23 21 1 0 0 0 0 23 24 1 1 0 0 0 25 23 1 0 0 0 0 25 26 1 6 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 30 36 1 1 0 0 0 31 28 1 6 0 0 0 32 31 1 0 0 0 0 32 33 1 1 0 0 0 34 32 1 0 0 0 0 34 35 1 6 0 0 0 36 37 1 0 0 0 0 M END $$$$ 140087_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 6.2902 -13.7866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2902 -14.6116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5756 -13.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 -15.0241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8612 -13.7866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8612 -14.6116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0046 -13.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0046 -15.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 -15.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -15.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -13.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 -13.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1480 -12.1365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1480 -12.9615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4336 -11.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4336 -13.3741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7191 -12.1365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7191 -12.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8626 -11.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8626 -13.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4336 -14.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0046 -11.7240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2902 -12.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5757 -11.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0046 -10.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 15 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 7 1 6 0 0 0 22 25 1 6 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 M END $$$$ 140088_p OpenBabel02171217032D 27 28 0 0 0 0 0 0 0 0999 V2000 6.3428 -17.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3428 -18.1874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6282 -16.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -18.5999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9138 -17.3624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9138 -18.1874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0572 -16.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0572 -18.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -19.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -18.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -16.9499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4848 -17.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 -16.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -16.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7717 -14.8874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7717 -15.7124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0572 -14.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0572 -16.1249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3428 -14.8874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3428 -15.7124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4862 -14.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4862 -16.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -16.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -14.4749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9138 -14.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -14.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -13.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 6 0 0 0 11 14 1 6 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 6 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 17 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 23 1 6 0 0 0 24 27 1 6 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 M END $$$$ 140089_p OpenBabel02171217032D 41 43 0 0 0 0 0 0 0 0999 V2000 18.8781 -12.8391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5926 -13.2516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1636 -13.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5926 -14.0767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1637 -14.0767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8781 -14.4892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3071 -12.8392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3071 -14.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8781 -15.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4492 -14.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4492 -15.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0215 -13.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7360 -12.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0215 -14.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8781 -12.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1637 -10.7766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1637 -11.6016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4491 -10.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4491 -12.0141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7347 -10.7766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7347 -11.6016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8781 -10.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4491 -12.8392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 -12.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 -10.3641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3057 -10.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5913 -10.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 -9.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5926 -8.3016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5926 -9.1266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8781 -7.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8781 -9.5391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1637 -8.3016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1637 -9.1266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3071 -7.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3071 -9.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4491 -9.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4491 -7.8891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7347 -8.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 -7.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4491 -7.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 15 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 7 12 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 6 0 0 0 17 19 1 0 0 0 0 17 15 1 1 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 18 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 24 1 6 0 0 0 25 28 1 6 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 6 0 0 0 30 32 1 0 0 0 0 30 36 1 1 0 0 0 32 34 1 0 0 0 0 32 22 1 1 0 0 0 33 31 1 1 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 37 1 6 0 0 0 38 41 1 6 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 M END $$$$ 140090_p OpenBabel02171217032D 38 40 0 0 0 0 0 0 0 0999 V2000 4.6700 -7.9221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6700 -8.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9554 -7.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -9.1596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2410 -7.9221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2410 -8.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3844 -7.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -9.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -9.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -9.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -7.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -7.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 -6.2720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5279 -7.0970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8134 -5.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 -7.5096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0989 -6.2720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0989 -7.0970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2423 -5.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 -7.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 -8.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -5.8595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6700 -6.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -5.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -5.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 -8.7471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5279 -9.5721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2423 -8.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 -9.9846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9568 -8.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9568 -9.5721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8134 -9.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 -10.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6713 -9.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6713 -8.3346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3858 -8.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1003 -8.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6713 -7.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 15 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 7 1 6 0 0 0 22 25 1 6 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 21 1 1 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 29 31 1 0 0 0 0 29 33 1 6 0 0 0 30 28 1 6 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 34 1 1 0 0 0 35 38 1 1 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 M END $$$$ 140092_p OpenBabel02171217032D 79 83 0 0 0 0 0 0 0 0999 V2000 8.2007 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -7.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9151 -7.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9151 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2007 -8.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4862 -8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7718 -6.7623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2006 -9.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7717 -8.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -6.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0574 -7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 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0 0 0 0 12.9784 -5.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2640 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2640 -4.8148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4074 -3.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4074 -5.2273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 -6.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 -5.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 -3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7026 -7.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3092 -6.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8836 -8.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9952 -9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -9.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7096 -9.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7096 -10.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9952 -11.1852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2807 -10.7726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5663 -9.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9951 -12.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 -11.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -9.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 -9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 -9.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 -8.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4971 -10.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -9.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 -10.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 -6.0523 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2640 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6258 -6.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2654 -3.5773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2654 -4.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5508 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5508 -4.8148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8364 -3.5773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8364 -4.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9798 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9798 -4.8148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5508 -5.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1219 -4.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1219 -3.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9798 -2.3398 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.6942 -1.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2653 -1.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7767 -2.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 6 0 0 0 3 42 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 22 1 1 0 0 0 19 15 1 0 0 0 0 19 14 1 0 0 0 0 19 26 1 6 0 0 0 19 28 1 0 0 0 0 20 18 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 1 0 0 0 23 25 1 0 0 0 0 26 41 1 0 0 0 0 28 27 1 0 0 0 0 28 29 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 1 0 0 0 32 34 1 0 0 0 0 32 38 1 6 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 39 1 1 0 0 0 35 36 1 0 0 0 0 35 41 1 1 0 0 0 36 40 1 6 0 0 0 37 75 1 0 0 0 0 40 61 1 0 0 0 0 43 42 2 0 0 0 0 44 42 1 0 0 0 0 46 45 1 0 0 0 0 46 54 1 6 0 0 0 46 50 1 0 0 0 0 47 45 1 0 0 0 0 47 48 1 0 0 0 0 47 8 1 6 0 0 0 47 58 1 0 0 0 0 49 48 1 0 0 0 0 49 52 1 1 0 0 0 50 49 1 0 0 0 0 50 53 1 1 0 0 0 51 46 1 0 0 0 0 51 57 1 1 0 0 0 51 56 1 0 0 0 0 56 55 1 0 0 0 0 59 58 2 0 0 0 0 60 58 1 0 0 0 0 61 62 1 0 0 0 0 61 63 2 0 0 0 0 61 64 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 65 71 1 6 0 0 0 66 68 1 0 0 0 0 66 72 1 6 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 68 73 1 1 0 0 0 69 70 1 0 0 0 0 69 75 1 1 0 0 0 70 74 1 6 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 76 79 1 0 0 0 0 M END $$$$ 140108_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 12.5044 -5.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2189 -4.9767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5044 -6.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7900 -4.9767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2189 -4.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7900 -4.1517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0755 -5.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5044 -3.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9334 -3.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0755 -3.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -4.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9334 -5.3892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6479 -4.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3623 -5.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6479 -4.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9321 -6.6267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6466 -7.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3610 -5.8017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6466 -5.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -6.6267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9321 -5.8017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0754 -7.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6466 -7.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2177 -7.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2177 -5.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5032 -5.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 24 1 1 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 25 26 1 0 0 0 0 M END $$$$ 140109_p OpenBabel02171217032D 59 63 0 0 0 0 0 0 0 0999 V2000 18.6851 -2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6851 -3.1609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9706 -1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9706 -3.5734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2562 -2.3359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2562 -3.1609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3996 -1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3996 -3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9706 -4.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5417 -3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5417 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8272 -2.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8272 -3.9859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8272 -4.8109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1127 -3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1127 -5.2234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3982 -3.9859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3982 -4.8109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5417 -5.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1126 -6.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6838 -5.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6838 -3.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9693 -3.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3982 -6.4609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3982 -7.2859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6837 -6.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6837 -7.6984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9692 -6.4609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9692 -7.2859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1126 -7.6984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6836 -8.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2548 -7.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2548 -6.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5402 -6.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1126 -8.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8271 -8.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3982 -8.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5403 -8.1109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5403 -8.9359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8258 -7.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8258 -9.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1113 -8.1109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1113 -8.9359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2548 -9.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8257 -10.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3968 -9.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3968 -7.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6824 -8.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1112 -10.5860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1112 -11.4110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3968 -10.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3968 -11.8235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6823 -10.5860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6823 -11.4110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8257 -11.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3967 -12.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -11.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -10.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2533 -10.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 6 0 0 0 30 35 1 0 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 32 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 1 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 45 1 6 0 0 0 50 52 1 0 0 0 0 50 55 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 56 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 1 0 0 0 54 57 1 1 0 0 0 59 58 1 0 0 0 0 M END $$$$ 140110_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 12.1659 -4.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1659 -5.3935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4514 -4.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4514 -5.8061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7369 -4.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7369 -5.3935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8804 -4.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8804 -5.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4514 -6.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0224 -5.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0224 -4.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3078 -4.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 -7.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7369 -7.8687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0223 -6.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0223 -8.2812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3078 -7.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3078 -7.8687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4514 -8.2812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0223 -9.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 -8.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 -6.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 -7.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 -8.6937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8788 -9.5187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1643 -8.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -9.9313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4498 -8.6937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4498 -9.5187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5933 -9.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -10.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7353 -9.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7353 -8.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -8.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 -7.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 -7.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8803 -8.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3094 -4.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0239 -2.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0239 -3.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3094 -2.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3094 -4.1560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5949 -2.9185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5949 -3.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7384 -2.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7384 -4.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8804 -2.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 -2.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 35 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 21 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 45 1 0 0 0 0 40 42 1 0 0 0 0 40 46 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 38 1 1 0 0 0 43 44 1 0 0 0 0 43 47 1 1 0 0 0 44 7 1 6 0 0 0 48 47 1 0 0 0 0 M END $$$$ 140111_p OpenBabel02171217032D 36 37 0 0 0 0 0 0 0 0999 V2000 9.1648 -4.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4504 -5.3858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1659 -6.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4513 -4.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4515 -6.6238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4515 -7.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7369 -6.2114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1659 -5.3864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7369 -5.3864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8792 -5.3858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8792 -6.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -6.6234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4504 -6.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0227 -4.9738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0227 -6.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -5.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0229 -4.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -4.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5937 -4.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -4.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5937 -4.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8805 -4.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4515 -4.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1661 -4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8805 -4.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0227 -5.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -4.9732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1648 -7.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 -6.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4504 -4.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -4.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0216 -5.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -4.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5950 -5.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3095 -4.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0239 -5.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 30 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 22 34 1 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 2 1 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 M END $$$$ 140112_p OpenBabel02171217032D 36 37 0 0 0 0 0 0 0 0999 V2000 10.0997 -3.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3852 -4.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2431 -4.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6720 -4.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2431 -4.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5285 -3.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9575 -3.6714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9575 -5.3214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6720 -4.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8141 -4.0839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8141 -4.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0997 -5.3214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3852 -4.9089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3865 -3.6716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9575 -2.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1010 -4.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3865 -2.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8141 -3.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8154 -3.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0997 -2.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5285 -2.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9573 -6.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3864 -5.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6719 -5.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6717 -6.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6720 -3.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -3.6712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0996 -6.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -5.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3852 -3.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2419 -3.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9564 -4.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -2.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 -6.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 -7.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5284 -7.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 30 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 6 1 6 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 6 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 22 34 1 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 2 1 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 M END $$$$ 140113_p OpenBabel02171217032D 52 54 0 0 0 0 0 0 0 0999 V2000 16.3693 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6548 -3.9548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3704 -4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6558 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6560 -5.1928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6560 -6.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9414 -4.7803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3704 -3.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9414 -3.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0837 -3.9548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0837 -4.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 -5.1923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6548 -4.7798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -3.5428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -5.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5124 -3.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2274 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0837 -3.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7982 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7982 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0850 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6560 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3705 -3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0850 -2.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2271 -4.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9404 -3.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3692 -6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9403 -5.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6548 -3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5115 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -3.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9404 -2.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7994 -4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2283 -4.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7994 -3.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5138 -3.5428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5138 -5.1928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2283 -3.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9428 -3.5430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5138 -2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6572 -3.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9428 -2.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3716 -3.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5137 -6.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9427 -5.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2282 -5.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2281 -6.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2283 -3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7992 -6.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7992 -7.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0847 -7.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 30 1 6 0 0 0 2 13 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 2 1 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 36 34 1 0 0 0 0 36 22 1 1 0 0 0 37 36 1 0 0 0 0 37 41 1 1 0 0 0 38 35 1 0 0 0 0 38 34 1 0 0 0 0 38 45 1 6 0 0 0 38 47 1 0 0 0 0 39 37 1 0 0 0 0 39 35 1 0 0 0 0 39 40 1 0 0 0 0 39 49 1 6 0 0 0 40 42 1 0 0 0 0 40 43 1 6 0 0 0 42 44 1 0 0 0 0 45 50 1 0 0 0 0 47 46 1 0 0 0 0 47 48 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 M END $$$$ 140122_p OpenBabel02171217032D 23 23 0 0 0 0 0 0 0 0999 V2000 6.4555 -5.5090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4555 -6.3340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7409 -5.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7409 -6.7465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0265 -5.5090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0265 -6.3340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1699 -6.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7409 -7.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -6.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -5.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -5.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1699 -5.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3134 -3.8590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5989 -4.2715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8844 -3.8590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1699 -4.2715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4555 -3.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0279 -4.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5989 -5.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8844 -3.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -4.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7423 -3.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3134 -3.0340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 23 1 1 0 0 0 14 13 1 0 0 0 0 14 19 1 1 0 0 0 15 14 1 0 0 0 0 15 20 1 1 0 0 0 16 15 1 0 0 0 0 16 12 1 6 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 M END $$$$ 140124_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 11.8197 -4.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8197 -5.1077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1052 -3.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 -5.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3908 -4.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3908 -5.1077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5342 -3.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5342 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 -6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 -4.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3908 -6.7576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3908 -7.5826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6763 -6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -7.9951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9619 -6.7576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9619 -7.5826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1052 -7.9951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -8.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -7.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -6.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5329 -6.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2486 -6.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9630 -7.1701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2486 -5.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9630 -5.5201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6776 -5.9327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6776 -6.7577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9632 -4.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3920 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3920 -7.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9630 -7.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1053 -8.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8198 -9.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3908 -9.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 M END $$$$ 140125_p OpenBabel02171217032D 33 35 0 0 0 0 0 0 0 0999 V2000 11.8197 -4.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8197 -5.1077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1052 -3.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 -5.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3908 -4.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3908 -5.1077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5342 -3.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5342 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 -6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 -4.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3908 -6.7576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3908 -7.5826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6763 -6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -7.9951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9619 -6.7576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9619 -7.5826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1052 -7.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -8.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -7.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -6.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5329 -6.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2486 -6.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9630 -7.1701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2486 -5.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9630 -5.5201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6776 -5.9327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6776 -6.7577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9632 -4.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3920 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3920 -7.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9630 -7.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 M END $$$$ 140132_p OpenBabel02171217032D 98104 0 0 0 0 0 0 0 0999 V2000 9.4311 -23.0106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4311 -23.8356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7165 -22.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7165 -24.2481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0021 -23.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0021 -23.8356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1455 -22.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1455 -24.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7165 -25.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2876 -24.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2876 -22.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 -23.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 -21.3606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2890 -22.1856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5744 -20.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5744 -22.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8600 -21.3606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8600 -22.1856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0034 -20.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0034 -22.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5744 -23.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1455 -20.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4311 -21.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1469 -19.7106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1469 -20.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4324 -19.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4324 -20.9481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7179 -19.7106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7179 -20.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8613 -19.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8613 -20.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4324 -21.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0034 -19.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 -19.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0048 -18.0606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0048 -18.8856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2903 -17.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2903 -19.2981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5758 -18.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5758 -18.8856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7191 -17.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7191 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-15.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7191 -15.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4223 -15.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2171 -23.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5115 -23.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6799 -20.9903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6799 -21.8152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3944 -20.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3944 -22.2277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1089 -20.9903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1089 -21.8152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3944 -23.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8234 -22.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8234 -20.5778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5379 -20.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2524 -20.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8234 -19.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8058 -23.8676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9227 -23.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1001 -23.4602 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.5076 -22.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6928 -24.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2511 -22.6402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2511 -23.4652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5367 -22.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5367 -23.8777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8223 -22.6402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8223 -23.4652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9656 -23.8777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5366 -24.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1077 -23.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1077 -22.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3934 -22.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9658 -24.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2514 -25.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6804 -25.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9656 -22.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 19 1 6 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 6 0 0 0 36 38 1 0 0 0 0 36 42 1 1 0 0 0 38 40 1 0 0 0 0 38 43 1 1 0 0 0 39 37 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 39 48 1 6 0 0 0 40 30 1 6 0 0 0 44 45 1 6 0 0 0 46 44 1 0 0 0 0 47 46 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 52 54 1 0 0 0 0 52 56 1 1 0 0 0 53 51 1 0 0 0 0 53 54 1 0 0 0 0 53 57 1 0 0 0 0 53 64 1 6 0 0 0 54 41 1 1 0 0 0 57 63 1 1 0 0 0 58 57 1 0 0 0 0 59 49 1 0 0 0 0 60 59 1 0 0 0 0 61 59 2 0 0 0 0 62 58 1 0 0 0 0 65 66 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67 43 1 1 0 0 0 68 70 1 0 0 0 0 68 98 1 6 0 0 0 70 72 1 0 0 0 0 70 73 1 6 0 0 0 71 69 1 6 0 0 0 71 72 1 0 0 0 0 71 75 1 0 0 0 0 72 74 1 1 0 0 0 73 81 1 0 0 0 0 75 78 1 1 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 79 66 1 0 0 0 0 80 65 1 0 0 0 0 81 79 1 0 0 0 0 82 81 2 0 0 0 0 83 81 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 84 98 1 6 0 0 0 85 87 1 0 0 0 0 85 90 1 6 0 0 0 86 88 1 0 0 0 0 87 89 1 0 0 0 0 87 91 1 1 0 0 0 88 89 1 0 0 0 0 88 93 1 1 0 0 0 89 92 1 6 0 0 0 90 95 1 0 0 0 0 94 93 1 0 0 0 0 96 95 2 0 0 0 0 97 95 1 0 0 0 0 M END $$$$ 140426_p OpenBabel02171217032D 26 28 0 0 0 0 0 0 0 0999 V2000 3.1835 0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 -0.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8979 -1.0607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1835 -1.4732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4690 -1.0607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4690 -0.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3269 1.4143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3269 2.2392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6124 2.6518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8979 2.2394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8979 1.4144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6124 1.0018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1834 1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 -1.4732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 3.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 2.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1835 -2.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 2.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 1.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5964 1.8267 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1798 2.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1798 1.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 6 0 0 0 3 4 1 0 0 0 0 3 14 1 6 0 0 0 4 5 1 0 0 0 0 4 18 1 1 0 0 0 5 6 1 0 0 0 0 5 15 1 6 0 0 0 6 19 1 1 0 0 0 7 12 1 0 0 0 0 7 23 1 1 0 0 0 8 9 1 0 0 0 0 8 7 1 0 0 0 0 8 22 1 1 0 0 0 9 10 1 0 0 0 0 9 16 1 1 0 0 0 10 11 1 0 0 0 0 10 17 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 1 0 0 0 12 21 1 6 0 0 0 19 20 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END $$$$ 140429_p OpenBabel02171217032D 39 40 0 0 0 0 0 0 0 0999 V2000 11.7704 -4.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0559 -4.4428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0559 -5.2677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7704 -5.6802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4848 -5.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7703 -6.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3415 -4.0301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6270 -4.4426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3416 -3.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9126 -4.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 -5.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1983 -4.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0560 -3.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4848 -4.4428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3415 -5.6801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0560 -6.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3415 -6.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 -6.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3194 -4.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8759 -3.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4425 -3.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7006 -3.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1773 -4.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1773 -5.6856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4628 -4.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4628 -6.0981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7483 -4.8606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7483 -5.6856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8918 -4.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8918 -6.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4628 -6.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0339 -6.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0339 -4.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 -4.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 -3.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 -4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6063 -5.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6063 -4.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3207 -6.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 1 0 0 0 2 3 1 0 0 0 0 3 15 1 1 0 0 0 3 4 1 0 0 0 0 4 6 1 6 0 0 0 4 5 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 8 10 1 0 0 0 0 8 11 1 6 0 0 0 10 12 1 0 0 0 0 12 34 1 0 0 0 0 14 1 1 0 0 0 0 14 5 1 0 0 0 0 14 19 1 6 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 17 16 1 0 0 0 0 17 18 2 0 0 0 0 19 33 1 0 0 0 0 21 20 2 0 0 0 0 22 20 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 33 1 1 0 0 0 28 32 1 1 0 0 0 30 37 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 M END $$$$ 140435_p OpenBabel02171217032D 93 99 0 0 0 0 0 0 0 0999 V2000 11.7868 -1.1729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7868 -1.9979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0722 -0.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0722 -2.4104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3578 -1.1729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3578 -1.9979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5012 -0.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5012 -2.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0722 -3.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 -2.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5026 2.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5026 1.3021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7881 2.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7881 0.8896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0736 2.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0736 1.3021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2171 0.8896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7881 0.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3591 0.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3591 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6447 2.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2171 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9315 -0.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5026 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6447 0.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6447 -0.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9302 0.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9302 -0.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2157 0.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2157 -0.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3591 -0.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9302 -1.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5012 0.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7868 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3591 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0736 -1.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6447 -1.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3578 -3.6479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3578 -4.4729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6433 -3.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 -4.8854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9288 -3.6479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9288 -4.4729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0722 -4.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6432 -5.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 -4.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 -3.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -3.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 0.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9289 0.4771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2143 0.0646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9289 1.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.4772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2144 1.7146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4999 1.3022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2143 -0.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 1.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2144 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 2.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 0.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3564 0.0648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0709 1.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 0.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3565 1.7148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6420 1.3023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3564 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9275 0.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 1.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3565 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 3.7772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7855 4.1897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2145 4.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 5.0148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2145 5.0147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5000 5.4272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0710 3.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 5.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5001 6.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9289 5.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 6.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 2.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6460 2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0750 2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9316 2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3605 2.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0750 3.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9316 1.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3605 1.3022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7895 2.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2171 2.5396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6461 0.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 92 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 18 23 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 20 1 1 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 34 1 1 0 0 0 31 7 1 6 0 0 0 32 36 1 0 0 0 0 35 34 1 0 0 0 0 37 36 2 0 0 0 0 38 36 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 9 1 6 0 0 0 40 42 1 0 0 0 0 40 45 1 1 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 46 1 1 0 0 0 43 44 1 0 0 0 0 43 48 1 1 0 0 0 44 47 1 6 0 0 0 49 48 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 50 1 6 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54 58 1 1 0 0 0 55 56 1 0 0 0 0 55 60 1 1 0 0 0 56 59 1 6 0 0 0 61 60 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 58 1 6 0 0 0 63 65 1 0 0 0 0 63 68 1 1 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 65 69 1 1 0 0 0 66 67 1 0 0 0 0 66 71 1 1 0 0 0 67 70 1 6 0 0 0 71 83 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72 61 1 6 0 0 0 73 75 1 0 0 0 0 73 78 1 1 0 0 0 74 76 1 0 0 0 0 75 77 1 0 0 0 0 75 79 1 1 0 0 0 76 77 1 0 0 0 0 76 81 1 1 0 0 0 77 80 1 6 0 0 0 82 81 1 0 0 0 0 84 86 1 0 0 0 0 84 87 1 0 0 0 0 85 87 1 0 0 0 0 85 88 2 0 0 0 0 86 89 2 0 0 0 0 86 92 1 0 0 0 0 87 90 1 1 0 0 0 90 93 1 0 0 0 0 91 85 1 0 0 0 0 M RAD 1 90 2 M END $$$$ 140529_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 13.8115 -5.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8115 -5.9291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0970 -4.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 -6.3416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3825 -5.1041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3825 -5.9291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5260 -4.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 -6.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 -7.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6680 -6.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6680 -4.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9536 -5.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2391 -4.6916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5246 -5.1041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2391 -3.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8101 -4.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5246 -3.4541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8101 -3.8666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5246 -5.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0956 -5.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0957 -3.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5247 -2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8102 -2.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 140626_p OpenBabel02171217032D 53 56 0 0 0 0 0 0 0 0999 V2000 15.1567 -8.0449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1567 -8.8701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8694 -9.2764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5818 -8.8701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5818 -8.0449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8694 -7.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2941 -7.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2923 -9.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8694 -10.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4422 -9.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4404 -7.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4380 -6.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5856 -5.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5856 -6.4011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2941 -6.8074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0067 -6.4011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0067 -5.5761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2941 -5.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7229 -5.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8694 -5.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7211 -6.8126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8712 -6.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7199 -7.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4345 -8.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0044 -8.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7267 -8.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8686 -4.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0160 -4.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4300 -2.7047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7187 -3.1227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7273 -3.9394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4388 -4.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1500 -3.9301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1500 -3.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4229 -1.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1330 -1.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4459 -5.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0020 -2.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7340 -5.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7377 -6.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0148 -5.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5775 -2.7237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8662 -3.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8769 -3.9620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5882 -4.3704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2996 -3.9523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2996 -3.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5934 -5.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1656 -4.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1494 -2.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5702 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2803 -1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8518 -1.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 1 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 29 34 1 0 0 0 0 29 35 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 38 1 1 0 0 0 31 32 1 0 0 0 0 31 28 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 6 0 0 0 33 34 1 0 0 0 0 33 27 1 1 0 0 0 35 36 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 42 47 1 0 0 0 0 42 51 1 1 0 0 0 43 42 1 0 0 0 0 43 50 1 6 0 0 0 44 49 1 1 0 0 0 44 43 1 0 0 0 0 45 48 1 6 0 0 0 45 44 1 0 0 0 0 46 28 1 1 0 0 0 46 45 1 0 0 0 0 46 47 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 M END $$$$ 140627_p OpenBabel02171217032D 41 43 0 0 0 0 0 0 0 0999 V2000 9.3619 -6.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3619 -7.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0746 -7.7159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7871 -7.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7871 -6.4844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0746 -6.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4993 -6.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4975 -7.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0746 -8.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6474 -7.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6456 -6.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6432 -5.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 -4.0156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7908 -4.8406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4993 -5.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2120 -4.8406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2120 -4.0156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4993 -3.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 -3.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0746 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9264 -5.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0764 -5.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9251 -6.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6398 -6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 -6.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 -6.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0738 -2.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 -2.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6352 -1.1442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9240 -1.5622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9325 -2.3789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6440 -2.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3553 -2.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3553 -1.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6281 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3382 0.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6511 -3.6119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2072 -1.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9392 -4.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9428 -4.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -3.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 1 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 29 34 1 0 0 0 0 29 35 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 38 1 1 0 0 0 31 32 1 0 0 0 0 31 28 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 6 0 0 0 33 34 1 0 0 0 0 33 27 1 1 0 0 0 35 36 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 M END $$$$ 140628_p OpenBabel02171217032D 27 27 0 0 0 0 0 0 0 0999 V2000 11.1517 -24.8647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1517 -26.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9999 -24.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9999 -26.8597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8481 -24.8647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8481 -26.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3035 -24.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3035 -26.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 -28.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6963 -26.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6963 -24.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5445 -24.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4195 -22.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4195 -24.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4195 -25.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4195 -26.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4195 -28.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4195 -29.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2677 -30.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2677 -22.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7495 -24.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7495 -25.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0895 -25.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7495 -26.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0895 -26.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7495 -28.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0895 -28.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 14 21 1 6 0 0 0 14 7 1 6 0 0 0 15 14 1 0 0 0 0 15 22 1 6 0 0 0 15 23 1 6 0 0 0 16 15 1 0 0 0 0 16 24 1 6 0 0 0 16 25 1 6 0 0 0 17 16 1 0 0 0 0 17 26 1 6 0 0 0 17 27 1 6 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 13 2 0 0 0 0 M END $$$$ 140629_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 22 23 1 0 0 0 0 M END $$$$ 140942_p OpenBabel02171217032D 128138 0 0 0 0 0 0 0 0999 V2000 16.9804 -5.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5501 -8.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5501 -9.5516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8355 -8.3141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 -9.9641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1211 -8.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1211 -9.5516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2645 -8.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2645 -9.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 -10.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -9.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -8.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2658 -5.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2658 -6.2515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5514 -5.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5514 -6.6640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8368 -5.4265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8368 -6.2515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9804 -6.6640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5514 -7.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1224 -6.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1224 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4080 -5.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9804 -7.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6948 -7.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2658 -7.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4080 -7.0765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4080 -7.9015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6935 -6.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6935 -8.3140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9789 -7.0765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9789 -7.9015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1224 -8.3141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6935 -9.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2645 -6.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5501 -7.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1224 -9.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8368 -9.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4080 -9.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1211 -11.2016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1211 -12.0266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4066 -10.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -12.4391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6920 -11.2016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6920 -12.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8355 -12.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 -13.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9776 -12.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9776 -10.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -11.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 -13.2641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5499 -13.6766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1210 -13.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5499 -14.5016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1210 -14.5016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8355 -14.9141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2645 -13.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2643 -14.9141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 -15.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -14.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -15.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -7.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6922 -7.0765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9776 -7.4890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6922 -6.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -7.0765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9776 -5.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2632 -6.2515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9776 -8.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5486 -7.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -5.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9776 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -4.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8341 -7.0765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1197 -7.4890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8341 -6.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -7.0763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1197 -5.8388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4053 -6.2513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1197 -8.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -7.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 -5.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -8.7265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4053 -9.5515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6907 -8.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -9.9640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9763 -8.7265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9763 -9.5515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1197 -9.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -10.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 -9.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 -8.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 -8.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 -4.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9789 -13.6766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6935 -13.2641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9789 -14.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4079 -13.6768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6933 -14.9141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4079 -14.5018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6935 -12.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1224 -13.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1223 -14.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6933 -15.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4079 -16.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -3.7765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5487 -3.3640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9777 -3.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -2.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9777 -2.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2632 -2.1265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8342 -3.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8344 -2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -1.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6922 -2.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6923 -1.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 -3.3638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4053 -3.7762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1198 -2.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 -3.3636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4054 -2.1262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6909 -2.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4053 -4.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 -3.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9765 -2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 -1.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -0.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 7 1 0 0 0 0 6 12 1 1 0 0 0 7 11 1 6 0 0 0 12 62 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 1 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 21 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 35 1 1 0 0 0 32 8 1 6 0 0 0 33 37 1 0 0 0 0 36 35 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 10 1 6 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 47 1 1 0 0 0 44 45 1 0 0 0 0 44 49 1 1 0 0 0 45 48 1 6 0 0 0 50 49 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 46 1 6 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54 58 1 1 0 0 0 55 56 1 0 0 0 0 55 60 1 1 0 0 0 56 59 1 6 0 0 0 61 60 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 62 1 6 0 0 0 64 66 1 0 0 0 0 64 69 1 1 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 66 70 1 1 0 0 0 67 68 1 0 0 0 0 67 72 1 1 0 0 0 68 71 1 6 0 0 0 73 72 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 74 70 1 6 0 0 0 75 77 1 0 0 0 0 75 80 1 1 0 0 0 76 78 1 0 0 0 0 77 79 1 0 0 0 0 77 81 1 1 0 0 0 78 79 1 0 0 0 0 78 83 1 1 0 0 0 79 82 1 6 0 0 0 83 95 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 84 80 1 6 0 0 0 85 87 1 0 0 0 0 85 90 1 1 0 0 0 86 88 1 0 0 0 0 87 89 1 0 0 0 0 87 91 1 1 0 0 0 88 89 1 0 0 0 0 88 93 1 1 0 0 0 89 92 1 6 0 0 0 94 93 1 0 0 0 0 96 97 1 0 0 0 0 96 98 1 0 0 0 0 96 57 1 6 0 0 0 97 99 1 0 0 0 0 97102 1 1 0 0 0 98100 1 0 0 0 0 99101 1 0 0 0 0 99103 1 1 0 0 0 100101 1 0 0 0 0 100105 1 1 0 0 0 101104 1 6 0 0 0 106105 1 0 0 0 0 107108 1 0 0 0 0 107109 1 0 0 0 0 107 73 1 6 0 0 0 108110 1 0 0 0 0 108113 1 1 0 0 0 109111 1 0 0 0 0 110112 1 0 0 0 0 110114 1 1 0 0 0 111112 1 0 0 0 0 111116 1 1 0 0 0 112115 1 6 0 0 0 117116 1 0 0 0 0 118119 1 0 0 0 0 118120 1 0 0 0 0 118113 1 6 0 0 0 119121 1 0 0 0 0 119124 1 1 0 0 0 120122 1 0 0 0 0 121123 1 0 0 0 0 121125 1 1 0 0 0 122123 1 0 0 0 0 122127 1 1 0 0 0 123126 1 6 0 0 0 128127 1 0 0 0 0 M END $$$$ 140956_p OpenBabel02171217032D 51 53 0 0 0 0 0 0 0 0999 V2000 13.3603 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6457 -6.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6459 -8.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6459 -8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 -7.6941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3603 -6.8691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9313 -6.8691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2171 -6.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2171 -8.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5022 -6.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2172 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7881 -6.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0748 -6.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6459 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3603 -6.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0748 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -6.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9328 -6.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9328 -7.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2182 -6.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2182 -7.6941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5038 -6.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5038 -7.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6472 -6.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6472 -7.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2182 -8.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 -7.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 -6.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 -8.5191 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.0748 -8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5038 -8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8656 -9.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5052 -6.0441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5052 -6.8691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7906 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7906 -7.2816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0762 -6.0441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0762 -6.8691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2196 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2196 -7.2816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7906 -8.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3617 -7.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3617 -5.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2196 -4.8066 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.9340 -4.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5051 -4.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0165 -5.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9314 -9.3441 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2169 -8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9314 -10.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2557 -9.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 4 48 1 0 0 0 0 5 3 1 0 0 0 0 5 9 1 1 0 0 0 6 2 1 0 0 0 0 6 1 1 0 0 0 0 6 13 1 6 0 0 0 6 15 1 0 0 0 0 7 5 1 0 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 6 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 10 12 1 0 0 0 0 13 28 1 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 1 0 0 0 19 21 1 0 0 0 0 19 25 1 6 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 1 0 0 0 22 23 1 0 0 0 0 22 28 1 1 0 0 0 23 27 1 6 0 0 0 24 43 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 6 0 0 0 34 36 1 0 0 0 0 34 40 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 37 38 1 0 0 0 0 37 43 1 1 0 0 0 38 42 1 6 0 0 0 39 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 44 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 48 51 1 0 0 0 0 M END $$$$ 140957_p OpenBabel02171217032D 51 53 0 0 0 0 0 0 0 0999 V2000 13.3603 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6457 -6.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6459 -8.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6459 -8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 -7.6941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3603 -6.8691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9313 -6.8691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2171 -6.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2171 -8.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5022 -6.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2172 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7881 -6.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0748 -6.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6459 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3603 -6.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0748 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -6.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9328 -6.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9328 -7.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2182 -6.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2182 -7.6941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5038 -6.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5038 -7.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6472 -6.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6472 -7.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2182 -8.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 -7.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 -6.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 -8.5191 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.0748 -8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5038 -8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8656 -9.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5052 -6.0441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5052 -6.8691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7906 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7906 -7.2816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0762 -6.0441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0762 -6.8691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2196 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2196 -7.2816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7906 -8.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3617 -7.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3617 -5.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2196 -4.8066 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.9340 -4.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5051 -4.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0165 -5.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -8.9316 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -9.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9316 -9.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2934 -9.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 9 1 1 0 0 0 6 2 1 0 0 0 0 6 1 1 0 0 0 0 6 13 1 6 0 0 0 6 15 1 0 0 0 0 7 5 1 0 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 6 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 9 48 1 0 0 0 0 10 12 1 0 0 0 0 13 28 1 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 1 0 0 0 19 21 1 0 0 0 0 19 25 1 6 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 1 0 0 0 22 23 1 0 0 0 0 22 28 1 1 0 0 0 23 27 1 6 0 0 0 24 43 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 6 0 0 0 34 36 1 0 0 0 0 34 40 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 37 38 1 0 0 0 0 37 43 1 1 0 0 0 38 42 1 6 0 0 0 39 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 44 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 48 51 1 0 0 0 0 M END $$$$ 140963_p OpenBabel02171217032D 30 31 0 0 0 0 0 0 0 0999 V2000 10.0954 -6.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 -4.9196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8100 -5.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0957 -4.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0956 -6.1571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3810 -4.9196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3810 -5.7445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6666 -6.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6668 -4.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9522 -4.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5244 -6.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5244 -6.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2389 -7.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 -7.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5244 -4.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3809 -7.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3809 -8.2198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6665 -6.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6665 -8.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 -7.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9520 -8.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0954 -8.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -8.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -6.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2388 -4.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9533 -4.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6678 -4.9195 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 13.6678 -5.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3823 -4.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3823 -5.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 11 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 9 1 1 0 0 0 7 8 1 1 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 1 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 1 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 1 0 0 0 21 23 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M END $$$$ 140964_p OpenBabel02171217032D 49 52 0 0 0 0 0 0 0 0999 V2000 7.9942 -7.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7088 -5.0303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7088 -5.8553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9945 -4.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 -6.2678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2798 -5.0303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2798 -5.8552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5654 -6.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5656 -4.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -5.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -6.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -7.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1377 -7.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7088 -7.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -4.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5664 -3.3801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5664 -4.2051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8520 -2.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 -4.6178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1376 -3.3801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1376 -4.2051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2810 -2.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2810 -4.6178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 -5.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -2.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9954 -4.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7101 -4.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9954 -3.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -2.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 -7.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5568 -6.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2737 -7.1426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5568 -5.8643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2737 -5.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 -6.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9907 -5.8643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2737 -7.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7077 -7.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7077 -5.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2797 -7.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2797 -8.3305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5653 -7.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5653 -8.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 -7.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8508 -8.3305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9942 -8.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 -8.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 -7.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2810 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 11 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 9 1 1 0 0 0 7 8 1 1 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 15 1 6 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 31 30 1 6 0 0 0 32 31 1 0 0 0 0 32 37 1 1 0 0 0 33 31 1 0 0 0 0 33 24 1 6 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 35 38 1 1 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 39 1 1 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 1 1 1 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 45 1 0 0 0 0 44 48 1 1 0 0 0 45 47 1 6 0 0 0 M END $$$$ 141111_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 13.8660 -5.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8660 -6.2919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1515 -5.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1515 -6.7044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4370 -5.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4370 -6.2919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7694 -7.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1515 -7.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7226 -6.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7226 -5.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0081 -5.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8959 -8.5482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8959 -9.3732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1813 -8.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1813 -9.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4669 -8.5482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4669 -9.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6103 -9.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1813 -10.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7524 -9.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7524 -8.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0379 -8.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4669 -11.0232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4669 -11.8482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7523 -10.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7523 -12.2607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0379 -11.0232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0379 -11.8482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1813 -12.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7523 -13.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 -12.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 -10.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5805 -5.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6090 -11.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 33 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 7 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 19 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 32 34 1 0 0 0 0 M END $$$$ 141115_p OpenBabel02171217032D 127132 0 0 0 0 0 0 0 0999 V2000 28.0619 -6.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9100 -5.7885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8024 -5.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9100 -7.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6504 -5.7885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.8024 -7.7379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6504 -7.0732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8024 -9.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4984 -5.0796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4984 -3.7504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6947 -3.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6947 -1.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4984 -6.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3022 -5.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3464 -3.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4984 -7.7379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4984 -9.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3022 -9.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6504 -9.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5747 -4.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9039 -4.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9100 -3.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7774 -9.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6255 -9.2001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.5179 -8.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6255 -10.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3659 -9.2001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.5179 -11.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.3659 -10.4849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.5179 -12.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2139 -8.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.2139 -7.1621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.4102 -6.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4102 -5.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2139 -9.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0177 -9.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2139 -11.1495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.2139 -12.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0177 -13.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3659 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0 0 0 0 0 0 0 0 12.0674 -0.9146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0674 -2.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2194 -2.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1437 2.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4729 2.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4791 3.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1946 -2.3769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0869 -1.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1946 -3.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9349 -2.3769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0869 -4.3263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9349 -3.6616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0869 -5.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7829 -1.6680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7829 -0.3388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9792 0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9792 1.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7829 -3.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5867 -2.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7829 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0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 105106 2 0 0 0 0 105107 1 0 0 0 0 108109 1 0 0 0 0 108110 1 0 0 0 0 108125 1 1 0 0 0 108 15 1 6 0 0 0 109111 1 0 0 0 0 110112 1 0 0 0 0 111113 1 0 0 0 0 111115 1 0 0 0 0 111119 1 1 0 0 0 112114 1 6 0 0 0 112113 1 0 0 0 0 113121 1 1 0 0 0 115116 1 0 0 0 0 115120 1 6 0 0 0 116117 1 0 0 0 0 116 86 1 6 0 0 0 117118 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122124 2 0 0 0 0 125126 2 0 0 0 0 125127 1 0 0 0 0 M END $$$$ 141116_p OpenBabel02171217032D 133138 0 0 0 0 0 0 0 0999 V2000 7.9772 -2.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 -1.8202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5756 -1.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 -2.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -1.8202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5756 -3.0294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8610 -2.6171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5756 -3.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 -1.3805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1465 -0.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8885 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8885 0.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 -2.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 -1.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4318 -0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 -3.0294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -4.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -1.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 -1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 -0.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5227 -4.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 -3.9365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1211 -3.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 -4.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4065 -3.9365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1211 -5.1457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4065 -4.7334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1211 -5.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 -3.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6918 -2.6722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4339 -2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4339 -1.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 -3.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 -5.1457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 -5.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 -6.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4065 -6.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2205 -3.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0450 -3.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 -2.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0680 -6.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3535 -6.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6665 -5.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3535 -6.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9518 -6.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6665 -7.2620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9518 -6.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6665 -8.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 -5.6130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2373 -4.7885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9793 -4.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9793 -3.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4953 -6.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 -7.2620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 -8.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4953 -8.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9518 -8.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7658 -5.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5904 -5.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3535 -4.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6135 -8.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8989 -8.1690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2118 -7.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8989 -8.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4973 -8.1690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2118 -9.3782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4973 -8.9659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2118 -10.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7827 -7.7293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7827 -6.9048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5247 -6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5247 -5.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7827 -8.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0406 -8.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7827 -9.3782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7827 -10.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0406 -10.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4973 -10.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3112 -7.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1357 -7.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8989 -6.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 2.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 2.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5152 2.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 2.4124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5152 1.2032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2297 1.6154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5152 0.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 2.8521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9444 3.6766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2023 4.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 4.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 2.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 2.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 4.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 1.2032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 3.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 3.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 0.2961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0303 0.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 0.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0303 -0.9131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3156 -0.5008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0303 -1.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 0.7358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6010 1.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3431 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 2.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -0.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -0.9131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -2.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -2.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1296 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 1.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 -0.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 -5.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 -7.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4953 -9.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0406 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 1 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 6 0 0 0 6 7 1 0 0 0 0 7 16 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 11 12 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18130 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 1 0 0 0 24 23 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 35 1 1 0 0 0 28 30 1 6 0 0 0 28 29 1 0 0 0 0 29 37 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 6 0 0 0 32 33 1 0 0 0 0 32 1 1 6 0 0 0 33 34 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39131 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 62 1 1 0 0 0 45 44 1 6 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 52 1 0 0 0 0 48 56 1 1 0 0 0 49 51 1 6 0 0 0 49 50 1 0 0 0 0 50 58 1 1 0 0 0 52 53 1 0 0 0 0 52 57 1 6 0 0 0 53 54 1 0 0 0 0 53 23 1 6 0 0 0 54 55 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 2 0 0 0 0 60132 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 83 1 1 0 0 0 66 65 1 6 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 69 73 1 0 0 0 0 69 77 1 1 0 0 0 70 72 1 6 0 0 0 70 71 1 0 0 0 0 71 79 1 1 0 0 0 73 74 1 0 0 0 0 73 78 1 6 0 0 0 74 75 1 0 0 0 0 74 44 1 6 0 0 0 75 76 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 81133 1 0 0 0 0 83 84 2 0 0 0 0 83 85 1 0 0 0 0 87 88 1 0 0 0 0 87 89 1 0 0 0 0 87105 1 1 0 0 0 87 86 1 6 0 0 0 88 90 1 0 0 0 0 89 91 1 0 0 0 0 90 92 1 0 0 0 0 90 94 1 0 0 0 0 90 98 1 1 0 0 0 91 93 1 6 0 0 0 91 92 1 0 0 0 0 92101 1 1 0 0 0 94 95 1 0 0 0 0 94 99 1 6 0 0 0 95 96 1 0 0 0 0 95100 1 6 0 0 0 96 97 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 103128 1 0 0 0 0 105106 2 0 0 0 0 105107 1 0 0 0 0 108109 1 0 0 0 0 108110 1 0 0 0 0 108125 1 1 0 0 0 108 15 1 6 0 0 0 109111 1 0 0 0 0 110112 1 0 0 0 0 111113 1 0 0 0 0 111115 1 0 0 0 0 111119 1 1 0 0 0 112114 1 6 0 0 0 112113 1 0 0 0 0 113121 1 1 0 0 0 115116 1 0 0 0 0 115120 1 6 0 0 0 116117 1 0 0 0 0 116 86 1 6 0 0 0 117118 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122124 2 0 0 0 0 123129 1 0 0 0 0 125126 2 0 0 0 0 125127 1 0 0 0 0 M END $$$$ 141117_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 12.0679 -4.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7823 -4.7873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3535 -5.6122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6390 -6.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7823 -5.6122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0679 -6.0247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0679 -6.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3535 -4.7873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6390 -4.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9245 -4.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 -6.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 -7.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 -6.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7823 -7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 -4.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 -4.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 -4.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9257 -4.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9257 -6.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 2 15 1 1 0 0 0 3 6 1 0 0 0 0 3 4 1 6 0 0 0 5 2 1 0 0 0 0 5 11 1 6 0 0 0 6 5 1 0 0 0 0 6 7 1 1 0 0 0 8 3 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 11 13 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 18 17 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 21 16 2 0 0 0 0 M END $$$$ 141118_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 12.0679 -4.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7823 -4.7873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3535 -5.6122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6390 -6.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7823 -5.6122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0679 -6.0247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0679 -6.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3535 -4.7873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6390 -4.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9245 -4.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 -6.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 -7.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 -6.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7823 -7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 -4.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 -4.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 -4.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9257 -4.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9257 -6.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 2 15 1 6 0 0 0 3 6 1 0 0 0 0 3 4 1 6 0 0 0 5 2 1 0 0 0 0 5 11 1 6 0 0 0 6 5 1 0 0 0 0 6 7 1 1 0 0 0 8 3 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 11 13 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 18 17 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 21 16 2 0 0 0 0 M END $$$$ 141492_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 14.0715 -2.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0715 -3.7302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3571 -2.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3571 -4.1427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6426 -2.9052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6426 -3.7302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7860 -2.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7860 -4.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3570 -4.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 -4.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 -2.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2136 -2.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 -4.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2137 -5.3802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4992 -4.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4992 -5.7926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7848 -4.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7848 -5.3802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9281 -5.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4992 -6.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0703 -5.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0703 -4.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3558 -4.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7846 -7.0302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7846 -7.8552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0702 -6.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0702 -8.2677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3558 -7.0302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3558 -7.8552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4992 -8.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0702 -9.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6413 -8.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6413 -6.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9268 -7.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 M END $$$$ 141495_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 14.4773 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4773 -2.0724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7628 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7628 -2.4849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0483 -1.2474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0483 -2.0724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1918 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1918 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7628 -3.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3339 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3339 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 -1.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 -2.8974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6194 -3.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9049 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9049 -4.1349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1904 -2.8974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1904 -3.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3339 -4.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9049 -4.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4760 -4.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4760 -2.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7615 -2.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1904 -5.3724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1904 -6.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4759 -4.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4759 -6.6099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7614 -5.3724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7614 -6.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9049 -6.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4759 -7.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 -6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 -4.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3325 -5.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 M END $$$$ 141496_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 12.1367 -4.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 -5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 -5.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7079 -4.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7079 -6.3295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9934 -5.0920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9934 -5.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1367 -6.3295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 -7.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 -6.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 -4.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5644 -5.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1367 -7.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8512 -7.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 -7.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5645 -6.7420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5645 -7.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8500 -6.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -7.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1356 -6.7420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1356 -7.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2790 -7.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 -8.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -7.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -6.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1354 -9.2170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1354 -10.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4210 -8.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -10.4545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7066 -9.2170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7066 -10.0420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8499 -10.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -11.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -10.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -8.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 -9.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 23 1 6 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 M END $$$$ 141499_p OpenBabel02171217032D 58 62 0 0 0 0 0 0 0 0999 V2000 12.9704 -7.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2560 -6.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9704 -7.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2560 -8.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5415 -7.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5415 -7.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2558 -9.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8271 -8.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8271 -6.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2560 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6848 -8.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1137 -8.3043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8282 -7.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1137 -9.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3993 -7.8918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8282 -7.0668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3993 -7.0668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1137 -6.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5426 -6.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6848 -6.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5426 -8.3043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2571 -7.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9714 -8.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2571 -7.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6848 -5.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1137 -11.6042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8282 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1137 -9.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3993 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8282 -10.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3993 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5425 -9.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5426 -11.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1138 -12.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6848 -11.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9704 -11.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2572 -4.5918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2572 -5.4168 0.0000 C 0 0 1 0 0 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0 0 0 0 2 10 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 1 0 0 0 4 7 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 6 0 0 0 15 17 1 0 0 0 0 15 11 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 20 1 1 0 0 0 17 18 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 26 34 1 1 0 0 0 27 26 1 0 0 0 0 27 33 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 14 1 1 0 0 0 29 31 1 0 0 0 0 30 27 1 0 0 0 0 30 32 1 6 0 0 0 31 26 1 0 0 0 0 31 35 1 1 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 1 0 0 0 38 40 1 0 0 0 0 38 44 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 19 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 45 1 1 0 0 0 47 46 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51 56 1 1 0 0 0 52 53 1 0 0 0 0 52 57 1 1 0 0 0 53 43 1 6 0 0 0 58 57 1 0 0 0 0 M END $$$$ 141500_p OpenBabel02171217032D 106114 0 0 0 0 0 0 0 0999 V2000 14.0274 -4.9753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7419 -4.5628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0274 -5.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3130 -4.5628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7419 -3.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3130 -3.7378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5985 -4.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0274 -3.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4563 -3.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5985 -3.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4563 -4.9753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1708 -4.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8852 -4.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1708 -3.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5985 -2.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4551 -3.7377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4551 -4.5627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8840 -4.5628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8840 -3.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1696 -4.9752 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0 M END $$$$ 141501_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 7.9942 -7.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7088 -5.0303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7088 -5.8553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9945 -4.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 -6.2678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2798 -5.0303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2798 -5.8552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5654 -6.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5656 -4.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -5.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -6.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -7.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1377 -7.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7088 -7.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -4.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5664 -3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5664 -4.2051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8520 -2.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 -4.6178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1376 -3.3801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1376 -4.2051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2810 -2.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2810 -4.6178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 -5.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -2.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2806 -5.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9952 -5.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5659 -5.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 -2.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 11 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 9 1 1 0 0 0 7 8 1 1 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 15 1 6 0 0 0 23 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 M END $$$$ 141502_p OpenBabel02171217032D 49 52 0 0 0 0 0 0 0 0999 V2000 18.1141 -12.6395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3971 -13.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1141 -11.8112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3971 -11.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6799 -12.6395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6799 -11.8112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8187 -13.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3971 -13.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9630 -13.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9630 -11.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8273 -11.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6840 -8.4590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9695 -8.8715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6840 -7.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2551 -8.4590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9696 -7.2217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2552 -7.6340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3986 -8.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 -8.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5409 -7.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9696 -6.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2554 -5.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5416 -7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5416 -8.4590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8273 -7.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8273 -8.8716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1128 -7.6341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1128 -8.4590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2562 -7.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2562 -8.8716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8273 -9.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3986 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5320 -10.9745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2490 -11.3965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5320 -10.1182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2490 -9.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9660 -10.9745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9660 -10.1182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2490 -12.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6828 -11.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6828 -9.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9706 -8.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6850 -8.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9706 -7.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3986 -6.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9695 -9.6965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2551 -10.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2550 -10.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 -9.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 1 1 0 0 0 0 3 11 1 1 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 6 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 46 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 18 1 6 0 0 0 30 42 1 0 0 0 0 32 45 1 0 0 0 0 33 11 1 6 0 0 0 34 33 1 0 0 0 0 34 39 1 1 0 0 0 35 33 1 0 0 0 0 35 31 1 6 0 0 0 36 35 1 0 0 0 0 37 34 1 0 0 0 0 37 40 1 1 0 0 0 38 36 1 0 0 0 0 38 37 1 0 0 0 0 38 41 1 1 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 46 47 1 0 0 0 0 48 47 2 0 0 0 0 49 47 1 0 0 0 0 M END $$$$ 141503_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 6.9226 -5.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 -5.2366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3515 -5.6491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0660 -4.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6371 -5.2366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3516 -3.9991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6372 -4.4115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7804 -5.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9227 -3.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3516 -3.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6372 -2.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9236 -4.4116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9236 -5.2366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2092 -3.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2092 -5.6493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4948 -4.4116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4948 -5.2366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6383 -3.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 -5.6493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2092 -6.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7804 -3.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3527 -5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0672 -5.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3527 -4.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7804 -3.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 -6.4741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -6.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -7.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9226 -6.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3528 -1.9368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3528 -2.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6383 -1.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 -3.1743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9239 -1.9368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9239 -2.7617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0672 -1.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0672 -3.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2092 -3.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2092 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4948 -1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 3 26 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 1 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 8 1 6 0 0 0 19 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 26 27 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 36 1 6 0 0 0 31 33 1 0 0 0 0 31 37 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 18 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 1 0 0 0 40 39 1 0 0 0 0 M END $$$$ 141504_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 9.2763 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0 0 0 0 14.9920 -5.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9920 -6.8340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2776 -5.5965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2776 -6.4214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4210 -5.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4210 -6.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5630 -6.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5630 -5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8486 -5.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 4 36 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 1 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 8 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 9 1 6 0 0 0 20 32 1 0 0 0 0 22 35 1 0 0 0 0 23 2 1 6 0 0 0 24 23 1 0 0 0 0 24 29 1 1 0 0 0 25 23 1 0 0 0 0 25 21 1 6 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 27 30 1 1 0 0 0 28 26 1 0 0 0 0 28 27 1 0 0 0 0 28 31 1 1 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 36 37 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 46 1 6 0 0 0 41 43 1 0 0 0 0 41 47 1 6 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 19 1 1 0 0 0 44 45 1 0 0 0 0 44 49 1 1 0 0 0 45 48 1 1 0 0 0 50 49 1 0 0 0 0 M END $$$$ 141505_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 7.0982 -8.4878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3889 -8.0664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 -8.0781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 -7.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 -7.2413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1088 -6.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0920 -9.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6691 -8.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 -6.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1088 -6.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5312 -8.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6747 -8.0805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9602 -8.4930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6747 -7.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 -8.0805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9603 -6.8430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2459 -7.2554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3892 -8.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 -6.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9603 -6.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 -5.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5324 -7.2555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5324 -8.0805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8180 -6.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 -8.4931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1036 -7.2555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1036 -8.0805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2469 -6.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2469 -8.4931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 -9.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3892 -6.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9613 -8.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6759 -8.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9613 -7.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3892 -6.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9602 -9.3180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 -9.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 -10.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5312 -9.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9615 -4.7806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9615 -5.6056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2469 -4.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2469 -6.0181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5325 -4.7806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5325 -5.6056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6759 -4.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6759 -6.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 -6.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 -4.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1036 -4.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 1 1 0 0 0 0 3 11 1 1 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 6 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 36 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 11 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 19 1 1 0 0 0 21 20 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 1 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 18 1 6 0 0 0 29 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 36 37 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 46 1 6 0 0 0 41 43 1 0 0 0 0 41 47 1 6 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 28 1 1 0 0 0 44 45 1 0 0 0 0 44 49 1 1 0 0 0 45 48 1 1 0 0 0 50 49 1 0 0 0 0 M END $$$$ 141506_p OpenBabel02171217032D 49 52 0 0 0 0 0 0 0 0999 V2000 16.2567 -13.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5397 -14.1347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2567 -12.8984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5397 -12.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8226 -13.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8226 -12.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9613 -14.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5397 -14.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1057 -14.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1057 -12.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9699 -12.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8267 -9.5463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1122 -9.9588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8267 -8.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3978 -9.5463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1123 -8.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3979 -8.7213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5412 -9.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6833 -9.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6836 -8.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1123 -7.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3981 -7.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6842 -8.7214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6842 -9.5463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9699 -8.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9699 -9.9589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2554 -8.7214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2554 -9.5463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3987 -8.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3987 -9.9589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9699 -10.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5412 -8.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6746 -12.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3915 -12.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6746 -11.2055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3915 -10.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1085 -12.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1085 -11.2055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3915 -13.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8254 -12.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8254 -10.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1131 -9.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8275 -9.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1131 -8.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5412 -7.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1122 -10.7838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3978 -11.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3977 -12.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6833 -10.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 1 1 0 0 0 0 3 11 1 1 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 6 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 46 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 18 1 6 0 0 0 30 42 1 0 0 0 0 32 45 1 0 0 0 0 33 11 1 6 0 0 0 34 33 1 0 0 0 0 34 39 1 1 0 0 0 35 33 1 0 0 0 0 35 31 1 6 0 0 0 36 35 1 0 0 0 0 37 34 1 0 0 0 0 37 40 1 1 0 0 0 38 36 1 0 0 0 0 38 37 1 0 0 0 0 38 41 1 1 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 46 47 1 0 0 0 0 48 47 2 0 0 0 0 49 47 1 0 0 0 0 M END $$$$ 141582_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 18.4369 -5.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4369 -6.1194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7223 -4.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7223 -6.5318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0079 -5.2944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0079 -6.1194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1513 -4.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1513 -6.5318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7223 -7.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2934 -6.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2934 -4.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5790 -5.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0080 -7.7692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0080 -8.5942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2934 -7.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2935 -9.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5789 -7.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5790 -8.5942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7225 -9.0067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2933 -9.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8646 -9.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8644 -7.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1501 -7.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7225 -9.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4369 -10.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0080 -10.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1515 -7.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8659 -7.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4370 -7.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 8 27 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 141584_p OpenBabel02171217032D 15 15 0 0 0 0 0 0 0 0999 V2000 11.9436 -5.3368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9436 -6.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2291 -4.9243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5147 -5.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2291 -4.0994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6580 -4.0994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3724 -3.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3724 -5.3368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9436 -3.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6580 -4.9243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5147 -3.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8002 -4.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3724 -6.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0868 -6.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6579 -6.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 6 0 0 0 8 13 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 6 0 0 0 11 12 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 M END $$$$ 141585_p OpenBabel02171217032D 58 62 0 0 0 0 0 0 0 0999 V2000 9.9422 -5.1940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6566 -4.7815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9422 -6.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 -4.7815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6566 -3.9565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2278 -3.9565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5133 -5.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9422 -3.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3710 -3.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5133 -3.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3710 -5.1940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 -4.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 -5.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 -3.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5133 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3699 -3.9563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3699 -4.7813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7987 -4.7815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7987 -3.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0843 -5.1938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0843 -3.5438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0843 -6.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6553 -5.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 -3.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0843 -2.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3699 -2.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -7.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2275 -8.0813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9422 -6.8438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6566 -7.2563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6565 -8.0813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9421 -8.4938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3710 -6.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3710 -8.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9421 -9.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5131 -8.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 -1.4815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0856 -2.3065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3710 -1.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3710 -2.7190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6566 -1.4815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6566 -2.3065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8000 -1.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9422 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9422 -1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9435 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9435 -0.6563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2291 0.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2291 -1.0690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5146 0.1687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5146 -0.6563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6581 0.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6581 -1.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2291 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 24 1 1 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 6 0 0 0 29 27 1 0 0 0 0 29 3 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 34 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 35 1 6 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 1 0 0 0 38 40 1 0 0 0 0 38 44 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 9 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 45 1 1 0 0 0 47 46 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51 56 1 1 0 0 0 52 53 1 0 0 0 0 52 57 1 1 0 0 0 53 43 1 6 0 0 0 58 57 1 0 0 0 0 M END $$$$ 141586_p OpenBabel02171217032D 57 60 0 0 0 0 0 0 0 0999 V2000 11.5190 -3.6852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8039 -3.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 -3.6852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0890 -4.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8039 -4.9227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5190 -4.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3741 -3.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4014 -4.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8039 -5.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2340 -4.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 -3.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -6.3527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0990 -5.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -7.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5015 -6.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3841 -6.3527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0990 -7.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1890 -6.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5015 -7.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3841 -7.1776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0990 -8.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -5.9126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6690 -5.0877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9265 -4.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9265 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0 0 0 0 0 0 0 14.0748 -6.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0746 -4.8120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8996 -4.8120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3121 -5.5264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8996 -6.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3121 -4.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1371 -5.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3121 -6.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6622 -6.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8057 -2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8057 -2.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5202 -3.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 33 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 12 13 1 0 0 0 0 12 9 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 16 26 1 1 0 0 0 17 21 1 6 0 0 0 17 20 1 0 0 0 0 20 29 1 1 0 0 0 22 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15.5085 -6.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5085 -7.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7936 -6.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7936 -7.9824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2230 -7.9824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0790 -6.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0790 -7.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7936 -8.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2230 -8.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3645 -6.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9376 -9.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5085 -9.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6773 -6.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9376 -4.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9376 -5.0681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2230 -3.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2230 -5.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5085 -4.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5085 -5.0681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6520 -3.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6520 -5.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4362 -5.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7940 -3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8271 -10.6529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1179 -11.0733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3611 -10.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -11.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8271 -9.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 -11.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7940 -3.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9676 -5.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1112 -4.8073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3967 -5.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1112 -3.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6822 -4.8070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3968 -3.5696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6823 -3.9821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3966 -6.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9678 -3.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6824 -2.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 27 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 12 13 1 0 0 0 0 12 9 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 25 2 0 0 0 0 16 19 1 0 0 0 0 16 26 1 1 0 0 0 17 20 1 6 0 0 0 17 19 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 6 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 1 0 0 0 33 37 1 0 0 0 0 34 38 1 1 0 0 0 34 35 1 0 0 0 0 35 27 1 6 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 38 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 48 1 1 0 0 0 43 45 1 0 0 0 0 43 49 1 6 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 28 1 1 0 0 0 46 47 1 0 0 0 0 46 51 1 1 0 0 0 47 50 1 1 0 0 0 51 58 1 0 0 0 0 52 53 1 0 0 0 0 52 56 1 1 0 0 0 52 16 1 0 0 0 0 53 54 1 0 0 0 0 53 57 1 6 0 0 0 54 55 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 50 1 1 0 0 0 61 63 1 0 0 0 0 61 66 1 6 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 63 59 1 1 0 0 0 64 65 1 0 0 0 0 64 68 1 1 0 0 0 65 67 1 6 0 0 0 69 68 1 0 0 0 0 M END $$$$ 141589_p OpenBabel02171217032D 69 73 0 0 0 0 0 0 0 0999 V2000 9.9829 -6.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8414 -4.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1269 -5.0537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1269 -5.8781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4120 -4.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -6.2905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8414 -6.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6974 -5.0537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6974 -5.8781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4120 -7.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8414 -7.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -4.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5560 -7.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1269 -7.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2957 -5.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5560 -2.5512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5560 -3.3762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8414 -2.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8414 -3.7886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1269 -2.5512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1269 -3.3762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2704 -2.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2704 -3.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0546 -3.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4124 -2.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4124 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 -3.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7296 -3.1154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0151 -3.5278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7296 -2.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3006 -3.1151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0152 -1.8777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3007 -2.2902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0150 -4.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5862 -1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0152 -1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3008 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6976 -7.4726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9830 -7.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2684 -7.4726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2684 -8.2973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9830 -8.7097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6976 -8.2973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5811 -7.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6085 -8.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9830 -9.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 -8.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8665 -7.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 -10.1388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3061 -9.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 -10.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6806 -10.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5916 -10.1388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3061 -11.3759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3678 -10.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5916 -10.9634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3061 -12.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 -11.3759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 -12.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 -12.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5916 -12.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7057 -11.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 -9.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 -9.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1655 -10.1509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4087 -9.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 -10.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 -8.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 -10.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 1 0 0 0 7 11 1 0 0 0 0 8 12 1 1 0 0 0 8 9 1 0 0 0 0 9 1 1 6 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 2 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 25 26 1 0 0 0 0 28 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0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 6 0 0 0 11 12 1 0 0 0 0 M END $$$$ 141795_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 14.5293 -5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5294 -6.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8154 -4.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1014 -5.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7965 -3.9294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0825 -3.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5104 -3.5161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4835 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2756 -3.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2433 -4.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9896 -3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9708 -2.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3685 -4.7563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6546 -5.1698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6409 -6.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 -4.7598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1942 -5.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 -3.9366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2265 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6544 -3.5231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3684 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6543 -2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 -2.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 -6.4577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9271 -7.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6411 -7.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1618 -7.6808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1807 -8.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4803 -7.2521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7663 -7.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4802 -6.4288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1942 -6.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7663 -6.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 -6.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6411 -8.5142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3865 -8.9349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1035 -8.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3775 -9.7599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0849 -10.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6230 -10.1642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6138 -10.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -9.7440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9241 -8.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 -10.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1889 -10.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 11 1 1 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 4 1 6 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 0 0 0 0 20 22 1 1 0 0 0 21 13 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 24 15 1 6 0 0 0 25 24 1 0 0 0 0 25 26 1 1 0 0 0 27 25 1 0 0 0 0 27 28 1 1 0 0 0 29 27 1 0 0 0 0 29 30 1 6 0 0 0 31 29 1 0 0 0 0 31 33 1 1 0 0 0 32 24 1 0 0 0 0 32 31 1 0 0 0 0 34 33 1 0 0 0 0 35 26 1 6 0 0 0 36 35 1 0 0 0 0 36 37 1 1 0 0 0 38 36 1 0 0 0 0 38 39 1 1 0 0 0 40 38 1 0 0 0 0 40 41 1 6 0 0 0 42 40 1 0 0 0 0 42 44 1 1 0 0 0 43 35 1 0 0 0 0 43 42 1 0 0 0 0 45 44 1 0 0 0 0 M END $$$$ 141798_p OpenBabel02171217032D 15 14 0 0 0 0 0 0 0 0999 V2000 22.1033 -4.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1033 -6.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1033 -7.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1033 -8.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1033 -10.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1033 -11.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4333 -6.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7733 -6.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4333 -7.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7733 -7.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4333 -8.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7733 -8.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4333 -10.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7733 -10.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1167 -4.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 7 1 1 0 0 0 2 8 1 1 0 0 0 3 2 1 0 0 0 0 3 9 1 1 0 0 0 3 10 1 1 0 0 0 4 3 1 0 0 0 0 4 11 1 1 0 0 0 4 12 1 1 0 0 0 5 4 1 0 0 0 0 5 13 1 1 0 0 0 5 14 1 1 0 0 0 6 5 1 0 0 0 0 15 1 2 0 0 0 0 M END $$$$ 141806_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 11.4684 -9.3860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4684 -10.7160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3165 -8.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 -11.3810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1647 -9.3860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1647 -10.7160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6202 -8.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6202 -11.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 -12.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0129 -11.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0129 -8.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2275 -8.7210 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2275 -10.0510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0756 -8.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0756 -10.7160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9238 -8.7210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9238 -10.0510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3793 -8.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3793 -10.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0756 -12.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7720 -10.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7720 -8.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 23 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 4 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 M END $$$$ 141807_p OpenBabel02171217032D 16 15 0 0 0 0 0 0 0 0999 V2000 12.5147 -8.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -9.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -10.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -12.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -13.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -14.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6665 -15.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6665 -7.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 -9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8447 -9.4810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 -10.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8447 -10.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 -12.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8447 -12.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 -13.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8447 -13.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 1 0 0 0 3 2 1 0 0 0 0 3 11 1 1 0 0 0 3 12 1 1 0 0 0 4 3 1 0 0 0 0 4 13 1 1 0 0 0 4 14 1 1 0 0 0 5 4 1 0 0 0 0 5 15 1 1 0 0 0 5 16 1 1 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 M END $$$$ 141814_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 11.3355 -3.3567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3355 -4.1817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6211 -2.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6211 -4.5942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9067 -3.3567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9067 -4.1817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0500 -2.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -4.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6211 -5.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 -4.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 -2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4778 -3.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9067 -5.8316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9067 -6.6566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1921 -5.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 -7.0690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4778 -5.8316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4778 -6.6566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6211 -7.0690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 -7.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7633 -7.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7633 -5.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0488 -5.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7644 -5.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4788 -6.2441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7644 -5.0066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4788 -4.5941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1934 -5.0067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1934 -5.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4791 -3.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9078 -4.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9078 -6.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4788 -7.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6211 -7.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 -8.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9067 -8.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4791 -0.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7646 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7646 -1.7068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0500 -0.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -2.1192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3356 -0.8818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3356 -1.7068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4791 -2.1192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6212 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6212 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9066 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1934 -1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1934 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9079 -2.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 0 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 7 1 1 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 43 45 1 1 0 0 0 44 48 1 0 0 0 0 47 46 1 0 0 0 0 49 48 2 0 0 0 0 50 48 1 0 0 0 0 M END $$$$ 141815_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 10.1661 -6.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8808 -4.2976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8808 -5.1226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1661 -3.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1661 -5.5351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4517 -4.2976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4517 -5.1226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5952 -5.5351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7373 -5.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7373 -3.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0229 -4.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3096 -5.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 -4.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0241 -5.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5952 -3.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4502 -6.7698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4502 -7.5948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1664 -8.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 -8.0045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7340 -8.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0179 -7.5891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3018 -7.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0178 -6.7641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7340 -6.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3142 -6.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3031 -11.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 -9.2412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0191 -10.0664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7353 -10.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3031 -10.4761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5870 -10.0608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8710 -10.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 -9.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3030 -8.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -8.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1527 -12.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7304 -11.3065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4440 -11.7206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1625 -11.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4391 -12.5455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7206 -12.9565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7157 -13.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 -12.5427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0118 -11.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3008 -12.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 1 1 1 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 19 17 1 0 0 0 0 19 20 1 6 0 0 0 21 19 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 0 0 0 0 23 25 1 6 0 0 0 24 16 1 0 0 0 0 24 23 1 0 0 0 0 27 20 1 1 0 0 0 28 27 1 0 0 0 0 28 29 1 6 0 0 0 30 28 1 0 0 0 0 30 26 1 6 0 0 0 31 30 1 0 0 0 0 31 32 1 1 0 0 0 33 31 1 0 0 0 0 33 35 1 6 0 0 0 34 27 1 0 0 0 0 34 33 1 0 0 0 0 37 29 1 1 0 0 0 38 37 1 0 0 0 0 38 39 1 6 0 0 0 40 38 1 0 0 0 0 40 36 1 6 0 0 0 41 40 1 0 0 0 0 41 42 1 1 0 0 0 43 41 1 0 0 0 0 43 45 1 6 0 0 0 44 37 1 0 0 0 0 44 43 1 0 0 0 0 M END $$$$ 141816_p OpenBabel02171217032D 109118 0 0 0 0 0 0 0 0999 V2000 11.9752 -13.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6897 -11.0665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6897 -11.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9752 -10.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9752 -12.3040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2608 -11.0665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2608 -11.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4041 -12.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5464 -12.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5464 -10.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8320 -11.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1187 -11.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1188 -11.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8332 -12.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4937 -10.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -13.5388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2591 -14.3637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9753 -14.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5431 -14.7735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5431 -15.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8270 -14.3581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1109 -14.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8269 -13.5331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5429 -13.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1232 -13.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1122 -18.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8282 -16.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8282 -16.8353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6537 -18.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1122 -17.2450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3961 -16.8298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6799 -17.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3961 -16.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1121 -15.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6923 -15.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 -20.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8923 -18.9336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8923 -19.7586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7177 -20.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1763 -20.1683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4602 -19.7530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7440 -20.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 -18.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1762 -18.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7563 -18.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2119 -23.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9265 -21.8810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9265 -22.7060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2119 -21.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2119 -23.1185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4975 -21.8810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4975 -22.7060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6409 -23.1186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 -23.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 -21.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0687 -21.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3554 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0 0 1 0 0 0 0 0 0 0 0 0 6.3488 -26.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -26.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -31.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1291 -29.7480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1291 -30.5731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8451 -30.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -30.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6969 -30.5674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9808 -30.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 -29.7425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4129 -29.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -29.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3162 -4.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8853 -7.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 -5.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6013 -6.0209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4269 -7.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8853 -6.4306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1693 -6.0152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4532 -6.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1693 -5.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8853 -4.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 -4.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9494 -10.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 -8.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6655 -8.9442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9495 -9.3538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2333 -8.9385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5173 -9.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2333 -8.1136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9493 -7.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5295 -7.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 1 1 1 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 19 17 1 0 0 0 0 19 20 1 6 0 0 0 21 19 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 0 0 0 0 23 25 1 6 0 0 0 24 16 1 0 0 0 0 24 23 1 0 0 0 0 27 20 1 1 0 0 0 28 27 1 0 0 0 0 28 29 1 6 0 0 0 30 28 1 0 0 0 0 30 26 1 6 0 0 0 31 30 1 0 0 0 0 31 32 1 1 0 0 0 33 31 1 0 0 0 0 33 35 1 6 0 0 0 34 27 1 0 0 0 0 34 33 1 0 0 0 0 37 29 1 1 0 0 0 38 37 1 0 0 0 0 38 39 1 6 0 0 0 40 38 1 0 0 0 0 40 36 1 6 0 0 0 41 40 1 0 0 0 0 41 42 1 1 0 0 0 43 41 1 0 0 0 0 43 45 1 6 0 0 0 44 37 1 0 0 0 0 44 43 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 39 1 1 0 0 0 48 50 1 0 0 0 0 48 53 1 6 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 50 46 1 1 0 0 0 51 52 1 0 0 0 0 51 55 1 1 0 0 0 52 54 1 6 0 0 0 53 57 1 0 0 0 0 56 55 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 60 46 1 1 0 0 0 61 60 1 0 0 0 0 61 62 1 6 0 0 0 63 61 1 0 0 0 0 63 64 1 6 0 0 0 65 63 1 0 0 0 0 65 66 1 1 0 0 0 67 65 1 0 0 0 0 67 69 1 6 0 0 0 68 60 1 0 0 0 0 68 67 1 0 0 0 0 71 64 1 1 0 0 0 72 71 1 0 0 0 0 72 73 1 6 0 0 0 74 72 1 0 0 0 0 74 70 1 6 0 0 0 75 74 1 0 0 0 0 75 76 1 1 0 0 0 77 75 1 0 0 0 0 77 79 1 6 0 0 0 78 71 1 0 0 0 0 78 77 1 0 0 0 0 81 73 1 1 0 0 0 82 81 1 0 0 0 0 82 83 1 6 0 0 0 84 82 1 0 0 0 0 84 80 1 6 0 0 0 85 84 1 0 0 0 0 85 86 1 1 0 0 0 87 85 1 0 0 0 0 87 89 1 6 0 0 0 88 81 1 0 0 0 0 88 87 1 0 0 0 0 92 90 1 1 0 0 0 93 92 1 0 0 0 0 93 94 1 6 0 0 0 95 93 1 0 0 0 0 95 91 1 6 0 0 0 96 95 1 0 0 0 0 96 97 1 1 0 0 0 98 96 1 0 0 0 0 98100 1 6 0 0 0 99 92 1 0 0 0 0 99 98 1 0 0 0 0 102 94 1 1 0 0 0 103102 1 0 0 0 0 103 15 1 6 0 0 0 104103 1 0 0 0 0 104101 1 6 0 0 0 105104 1 0 0 0 0 105106 1 1 0 0 0 107105 1 0 0 0 0 107109 1 6 0 0 0 108102 1 0 0 0 0 108107 1 0 0 0 0 M END $$$$ 141819_p OpenBabel02171217032D 34 35 0 0 0 0 0 0 0 0999 V2000 5.1957 -1.6441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9100 -2.0566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9100 -2.8816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1957 -3.2941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4811 -2.8816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4811 -2.0566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7667 -3.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 -1.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 -3.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 -0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 -4.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 -4.5316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4812 -5.3566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -4.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -5.7690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0522 -4.5316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0522 -5.3566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1957 -5.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 -6.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -5.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -4.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6232 -4.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3389 -2.8816 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0534 -3.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3389 -2.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3389 -3.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7678 -2.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4823 -3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 -2.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9111 -3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6256 -2.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3401 -3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0546 -2.8816 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 3 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 0 0 0 0 3 10 1 1 0 0 0 4 5 1 0 0 0 0 4 12 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 6 8 1 6 0 0 0 10 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 M END $$$$ 141820_p OpenBabel02171217032D 45 47 0 0 0 0 0 0 0 0999 V2000 11.2690 -3.1232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9833 -3.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9833 -4.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2690 -4.7732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5545 -4.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5545 -3.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8401 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 -3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 -3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -2.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -5.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5546 -6.0106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5546 -6.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8401 -5.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 -7.2480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1256 -6.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1256 -6.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2690 -7.2480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 -8.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 -7.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 -5.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -6.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -4.3607 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.1267 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -5.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8411 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5556 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2700 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9844 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6988 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4133 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1278 -4.3607 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -7.6605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6966 -8.4855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9821 -7.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -8.8980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2677 -7.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2677 -8.4855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4111 -8.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -9.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -8.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -7.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -7.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 3 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 0 0 0 0 3 10 1 1 0 0 0 4 5 1 0 0 0 0 4 12 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 6 8 1 6 0 0 0 10 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 21 1 6 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 6 0 0 0 45 44 1 0 0 0 0 M END $$$$ 141821_p OpenBabel02171217032D 56 59 0 0 0 0 0 0 0 0999 V2000 11.2690 -3.1232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9833 -3.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9833 -4.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2690 -4.7732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5545 -4.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5545 -3.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8401 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 -3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 -3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -2.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -5.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5546 -6.0106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5546 -6.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8401 -5.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 -7.2480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1256 -6.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1256 -6.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2690 -7.2480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 -8.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 -7.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 -5.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -6.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -4.3607 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.1267 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -5.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8411 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5556 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2700 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9844 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6988 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4133 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1278 -4.3607 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -7.6605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6966 -8.4855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9821 -7.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -8.8980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2677 -7.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2677 -8.4855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4111 -8.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -9.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -8.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -7.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -7.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -7.2480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4098 -7.6605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1242 -6.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -7.2480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4098 -6.0105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6953 -6.4230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4097 -8.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 -7.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 -6.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 -5.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6954 -4.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 3 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 0 0 0 0 3 10 1 1 0 0 0 4 5 1 0 0 0 0 4 12 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 6 8 1 6 0 0 0 10 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 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0 0 2 0 0 0 0 0 0 0 0 0 16.2476 -3.2077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5333 -3.6202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8187 -3.2077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8187 -2.3827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1043 -3.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1043 -1.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9619 -1.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9619 -3.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5333 -1.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5333 -4.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8188 -4.8576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8188 -5.6826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1043 -4.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1043 -6.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3898 -4.8576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3898 -5.6826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5333 -6.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1042 -6.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6753 -6.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6753 -4.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9609 -4.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6764 -3.2077 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.3909 -3.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6764 -2.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6764 -4.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1053 -3.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8198 -3.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5342 -3.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2485 -3.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9630 -3.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6775 -3.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3920 -3.2077 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9609 -6.5075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9609 -7.3325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2463 -6.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 -7.7450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5319 -6.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5319 -7.3325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6753 -7.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 -8.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8174 -7.7450 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 -7.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 -10.7369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0290 -11.5620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3145 -10.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3145 -11.9744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6001 -10.7369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6001 -11.5619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7435 -11.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3145 -12.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 -11.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 -10.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1711 -10.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 3 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 0 0 0 0 3 10 1 1 0 0 0 4 5 1 0 0 0 0 4 12 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 6 8 1 6 0 0 0 10 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 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4.2047 -4.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -4.1382 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 -4.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -3.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -4.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0613 -4.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 -4.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 -4.1382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6365 1.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3508 0.8115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3508 -0.0134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6365 -0.4259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9219 -0.0134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9219 0.8115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2076 -0.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2076 1.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0652 1.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0652 -0.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6365 2.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6365 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9220 -1.6634 0.0000 C 0 0 2 0 0 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0 0 0 0 0 0 0 0 4.9888 -7.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2743 -7.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 74 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 1 0 0 0 10 11 1 0 0 0 0 10 17 1 1 0 0 0 11 12 1 0 0 0 0 11 18 1 1 0 0 0 12 13 1 0 0 0 0 12 20 1 6 0 0 0 13 14 1 0 0 0 0 13 15 1 1 0 0 0 14 16 1 6 0 0 0 18 32 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 20 1 6 0 0 0 22 24 1 0 0 0 0 22 27 1 6 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 1 0 0 0 25 26 1 0 0 0 0 25 30 1 1 0 0 0 26 29 1 6 0 0 0 31 30 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 29 1 6 0 0 0 44 46 1 0 0 0 0 44 49 1 1 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 50 1 1 0 0 0 47 48 1 0 0 0 0 47 52 1 1 0 0 0 48 51 1 6 0 0 0 53 52 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 53 1 6 0 0 0 55 57 1 0 0 0 0 55 60 1 1 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 57 61 1 1 0 0 0 58 59 1 0 0 0 0 58 63 1 1 0 0 0 59 62 1 6 0 0 0 64 63 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 65 60 1 6 0 0 0 66 68 1 0 0 0 0 66 71 1 1 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 68 72 1 1 0 0 0 69 70 1 0 0 0 0 69 74 1 1 0 0 0 70 73 1 6 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 75 71 1 6 0 0 0 76 78 1 0 0 0 0 76 81 1 1 0 0 0 77 79 1 0 0 0 0 78 80 1 0 0 0 0 78 82 1 1 0 0 0 79 80 1 0 0 0 0 79 84 1 1 0 0 0 80 83 1 6 0 0 0 85 84 1 0 0 0 0 M END $$$$ 141828_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 7.3308 -4.2180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6164 -3.8055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0453 -3.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6164 -2.9805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0453 -2.9806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3308 -2.5681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9019 -4.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -2.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 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0 0 0 0 0 0 7.3306 -6.6929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0451 -8.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6161 -7.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -6.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 -5.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 24 1 6 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 1 0 0 0 29 30 1 0 0 0 0 29 34 1 1 0 0 0 30 33 1 6 0 0 0 M END $$$$ 141829_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 3.8326 -9.9011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8326 -10.7261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1182 -9.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 -11.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4037 -9.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4036 -10.7260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5470 -11.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 -11.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 -11.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6893 -9.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9748 -9.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 -9.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 -5.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8338 -8.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8338 -9.4887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1193 -8.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 -9.9012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4049 -8.6638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4049 -9.4887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5483 -8.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5483 -9.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 -10.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 -9.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 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31 1 0 0 0 0 29 32 1 1 0 0 0 30 31 1 0 0 0 0 30 34 1 1 0 0 0 31 33 1 6 0 0 0 M END $$$$ 141830_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 10.3386 -8.3153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3386 -9.1403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6240 -7.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 -9.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9096 -8.3153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9096 -9.1403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0530 -9.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 -10.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1951 -9.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1951 -7.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4807 -8.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2567 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2567 -2.9678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5422 -1.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -3.3803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8277 -2.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8277 -2.9678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1601 -4.1755 0.0000 O 0 0 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34 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 18 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 32 1 0 0 0 0 M END $$$$ 141831_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 7.3677 -4.9159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3677 -5.7409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6532 -4.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 -6.1534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9388 -4.9159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9388 -5.7409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0821 -6.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 -6.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 -6.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 -4.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 -4.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0822 -4.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5111 -4.5034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7967 -4.0909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2256 -4.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7967 -3.2659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2256 -3.2661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5111 -2.8536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0823 -2.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5112 -2.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9401 -2.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9401 -2.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5110 -5.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5121 -8.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5121 -9.0408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7976 -7.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 -9.4533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0832 -8.2158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0832 -9.0408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2266 -7.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2266 -9.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 -10.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3688 -9.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3688 -7.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6543 -8.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9398 -7.8033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2254 -8.2158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9399 -6.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5109 -7.8033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2254 -6.5659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5109 -6.9783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2254 -9.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 -8.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 -6.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2254 -5.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 10 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 6 0 0 0 14 16 1 0 0 0 0 14 12 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 22 21 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 34 1 1 0 0 0 29 33 1 6 0 0 0 35 34 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 35 1 6 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 1 0 0 0 40 41 1 0 0 0 0 40 45 1 1 0 0 0 41 44 1 6 0 0 0 M END $$$$ 141832_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 10.8101 -6.8052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8101 -7.6302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0956 -6.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0956 -8.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3811 -6.8051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3810 -7.6301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6437 -8.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0953 -8.8676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6666 -8.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -6.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9522 -6.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5245 -6.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8101 -2.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8113 -5.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8113 -6.3928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0968 -5.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0968 -6.8053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3824 -5.5679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3824 -6.3928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5258 -5.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5258 -6.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0968 -7.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6679 -6.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6679 -5.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9535 -5.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2390 -5.1554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5245 -5.5679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2390 -4.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8101 -5.1554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5245 -3.9178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8101 -4.3303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0956 -5.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0956 -3.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5245 -3.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8797 -9.8569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8797 -10.6818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1652 -9.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -11.0943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4507 -9.8567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4506 -10.6818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5940 -11.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1649 -11.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7362 -11.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 -9.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0218 -9.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 1 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 1 0 0 0 18 19 1 0 0 0 0 18 24 1 1 0 0 0 19 23 1 6 0 0 0 25 24 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 25 1 6 0 0 0 27 29 1 0 0 0 0 27 12 1 1 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 1 0 0 0 30 31 1 0 0 0 0 30 34 1 1 0 0 0 31 33 1 6 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 7 1 6 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 6 0 0 0 45 44 1 0 0 0 0 M END $$$$ 141833_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 10.9969 -10.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2329 -11.4960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2329 -12.3210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5184 -11.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 -12.7335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8039 -11.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8038 -12.3210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9472 -12.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5181 -13.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0894 -12.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0895 -11.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -11.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1136 -5.4127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1136 -6.2377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3991 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3991 -6.6501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6846 -5.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6845 -6.2376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9472 -7.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3988 -7.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9701 -6.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9702 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2557 -5.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 -5.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1136 -1.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1149 -4.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1149 -5.0002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4003 -3.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4003 -5.4127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6859 -4.1753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6859 -5.0002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8293 -3.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8293 -5.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4003 -6.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9715 -5.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9715 -3.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2571 -4.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5425 -3.7628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8280 -4.1753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5425 -2.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1136 -3.7628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8280 -2.5252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1136 -2.9377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3991 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3991 -2.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1832 -8.4644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1832 -9.2893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4687 -8.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4686 -9.7018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7542 -8.4642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7541 -9.2893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4684 -10.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0397 -9.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0398 -8.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3253 -8.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 1 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 1 0 0 0 30 31 1 0 0 0 0 30 36 1 1 0 0 0 31 35 1 6 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 6 0 0 0 39 41 1 0 0 0 0 39 24 1 1 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 1 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 43 45 1 6 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 19 1 6 0 0 0 48 50 1 0 0 0 0 48 1 1 1 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 1 0 0 0 51 52 1 0 0 0 0 51 55 1 1 0 0 0 52 54 1 6 0 0 0 56 55 1 0 0 0 0 M END $$$$ 141834_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 11.2547 -11.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4907 -12.4296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4907 -13.2544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7762 -12.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7761 -13.6669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0618 -12.4294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0617 -13.2544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2049 -13.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7759 -14.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3473 -13.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3474 -12.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 -12.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2049 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4410 -9.3981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4410 -10.2230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7265 -8.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -10.6355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0121 -9.3979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0120 -10.2230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7262 -11.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2976 -10.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2977 -8.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 -9.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0559 -5.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2919 -6.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2919 -7.1915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5775 -5.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5773 -7.6040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8630 -6.3665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8629 -7.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5772 -8.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1485 -7.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1486 -5.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4341 -6.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1726 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1726 -1.1086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4581 0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4581 -1.5210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7437 -0.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7436 -1.1085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0062 -2.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 -2.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -1.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0293 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3149 -0.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8870 0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2422 -3.3352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2422 -4.1601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5277 -2.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5277 -4.5725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8133 -3.3350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8132 -4.1601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5274 -5.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0988 -4.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0989 -2.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 -3.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 11 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 13 1 6 0 0 0 15 17 1 0 0 0 0 15 1 1 1 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 1 0 0 0 19 21 1 6 0 0 0 23 22 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 24 1 6 0 0 0 26 28 1 0 0 0 0 26 13 1 1 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 32 1 6 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 46 1 0 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 6 0 0 0 45 44 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 41 1 6 0 0 0 48 50 1 0 0 0 0 48 24 1 1 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 1 0 0 0 51 52 1 0 0 0 0 51 55 1 1 0 0 0 52 54 1 6 0 0 0 56 55 1 0 0 0 0 M END $$$$ 141835_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 11.2053 -8.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4414 -9.3984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4414 -10.2234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7269 -8.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7268 -10.6359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0124 -9.3983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0123 -10.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7266 -11.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2979 -10.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -8.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5835 -9.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0563 -5.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2923 -6.3669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2923 -7.1918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5778 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5777 -7.6042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8633 -6.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8632 -7.1918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5775 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1488 -7.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1489 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 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0 7.3847 -3.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1558 -10.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 -8.9858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1548 -9.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8690 -8.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4401 -8.9859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1544 -7.7483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4399 -8.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1548 -10.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7256 -9.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7255 -7.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1544 -6.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -6.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 45 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 1 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 32 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 29 1 6 0 0 0 36 38 1 0 0 0 0 36 12 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 1 0 0 0 39 40 1 0 0 0 0 39 43 1 1 0 0 0 40 42 1 6 0 0 0 44 43 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 11 1 6 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 55 1 0 0 0 0 M END $$$$ 141836_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 10.4415 -9.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4415 -10.2235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7270 -8.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7269 -10.6359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0125 -9.3983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0124 -10.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7267 -11.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -10.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 -8.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5836 -9.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1559 -10.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8691 -8.9859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1548 -9.3985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8691 -8.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4402 -8.9860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1545 -7.7484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4400 -8.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1549 -10.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7257 -9.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7256 -7.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1544 -6.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 -6.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 -8.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 23 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 8 1 6 0 0 0 10 9 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 10 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 21 1 0 0 0 0 M END $$$$ 142076_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 9.6978 -31.0858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7012 -31.9099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4116 -30.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 -30.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9874 -32.3203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4150 -32.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4116 -29.8479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2702 -31.0892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9874 -33.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2736 -31.9134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4150 -33.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1254 -29.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6943 -29.4410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5564 -30.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2702 -33.5617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5598 -32.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1288 -33.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7012 -33.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1219 -28.6134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8392 -29.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6943 -28.6134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9840 -29.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8426 -31.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 -33.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2702 -34.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8357 -28.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 -28.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9771 -28.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8392 -33.5617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5495 -34.8065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9874 -34.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5461 -27.5892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2633 -28.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8392 -34.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1254 -33.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5564 -35.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2564 -28.0030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5461 -26.7732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1254 -34.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9736 -27.5927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2529 -28.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2633 -26.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9771 -26.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6874 -28.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6909 -26.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8315 -26.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1120 -26.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 -33.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 4 8 1 0 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 3 1 1 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 1 0 0 0 8 10 1 0 0 0 0 10 16 1 6 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 6 0 0 0 13 21 1 0 0 0 0 13 22 1 1 0 0 0 14 23 1 0 0 0 0 15 9 1 1 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 21 28 1 1 0 0 0 21 27 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 6 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 1 0 0 0 30 36 1 1 0 0 0 30 34 1 0 0 0 0 32 26 1 6 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 34 39 1 1 0 0 0 35 48 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 1 0 0 0 38 42 1 0 0 0 0 38 46 1 1 0 0 0 40 43 1 0 0 0 0 40 44 1 6 0 0 0 42 43 1 0 0 0 0 43 45 1 0 0 0 0 46 47 1 0 0 0 0 M END $$$$ 142078_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 10.5241 -10.3628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2385 -9.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2385 -9.1253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2385 -7.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8096 -9.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8096 -11.6002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8096 -12.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0952 -11.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3808 -11.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5241 -7.8878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8096 -7.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0952 -7.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -7.8878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5241 -8.7128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8096 -9.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -8.7128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6675 -9.1253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -10.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 -9.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3819 -10.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5241 -11.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2385 -11.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0952 -10.3628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3808 -9.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6663 -10.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 -7.4753 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 2 1 1 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 23 1 0 0 0 0 5 1 1 0 0 0 0 6 21 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 1 0 0 0 10 14 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 13 26 1 4 0 0 0 14 3 1 0 0 0 0 14 15 1 6 0 0 0 16 13 1 0 0 0 0 16 17 1 6 0 0 0 17 19 1 0 0 0 0 19 18 2 0 0 0 0 19 20 1 0 0 0 0 21 1 1 0 0 0 0 21 22 1 6 0 0 0 23 8 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 A 26 H M END $$$$ 142342_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 6 0 0 0 11 12 1 0 0 0 0 M END $$$$ 142343_p OpenBabel02171217032D 42 44 0 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -4.0007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6937 -4.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0272 -5.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3842 -3.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 -3.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -2.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1205 -3.0806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1205 -3.9056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4059 -2.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4059 -4.3181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6915 -3.0806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6915 -3.9056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8349 -2.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8349 -4.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 -4.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 -2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -3.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 -9.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3010 -9.9106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5443 -9.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 -9.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 -8.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 -10.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 27 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 12 13 1 0 0 0 0 12 9 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 25 2 0 0 0 0 16 19 1 0 0 0 0 16 26 1 1 0 0 0 17 20 1 6 0 0 0 17 19 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 6 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 1 0 0 0 33 37 1 0 0 0 0 34 38 1 1 0 0 0 34 35 1 0 0 0 0 35 27 1 6 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 38 41 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 6 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 45 49 1 1 0 0 0 47 50 1 1 0 0 0 47 48 1 0 0 0 0 48 51 1 6 0 0 0 50 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 59 1 1 0 0 0 54 56 1 0 0 0 0 54 60 1 6 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 56 28 1 1 0 0 0 57 58 1 0 0 0 0 57 62 1 1 0 0 0 58 61 1 1 0 0 0 63 62 1 0 0 0 0 64 65 1 0 0 0 0 64 68 1 1 0 0 0 64 16 1 0 0 0 0 65 66 1 0 0 0 0 65 69 1 6 0 0 0 66 67 1 0 0 0 0 M END $$$$ 142345_p OpenBabel02171217032D 14 14 0 0 0 0 0 0 0 0999 V2000 11.9006 -4.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 -5.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4717 -4.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4717 -6.4547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7572 -5.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1861 -6.0422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7572 -6.0422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0427 -6.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9006 -6.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6151 -7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9006 -7.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 -7.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4717 -7.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0428 -4.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 1 0 0 0 5 7 1 0 0 0 0 5 14 1 1 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 7 4 1 0 0 0 0 7 8 1 1 0 0 0 9 11 1 0 0 0 0 11 10 1 0 0 0 0 11 12 2 0 0 0 0 M END $$$$ 142346_p OpenBabel02171217032D 67 72 0 0 0 0 0 0 0 0999 V2000 16.3219 -2.5322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6074 -2.9447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3219 -1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8929 -2.5321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6074 -1.2946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8929 -1.7071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0363 -2.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6073 -3.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1784 -2.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1785 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6075 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8930 -0.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8943 -2.9447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8943 -3.7697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1797 -2.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1797 -4.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4653 -2.9447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4653 -3.7697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6087 -2.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6087 -4.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1797 -5.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7508 -4.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7508 -2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8929 -4.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8929 -5.0072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1783 -3.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1783 -5.4197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4639 -4.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4639 -5.0072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6073 -5.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1783 -6.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7494 -5.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7494 -3.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0349 -4.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1797 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0 0 0 0 0 0 0 0 0 0 13.4639 -7.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3771 -10.5362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3771 -11.3612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6627 -10.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6627 -11.7737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9482 -10.5362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9482 -11.3612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0916 -11.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6626 -12.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2337 -11.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2337 -10.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5192 -10.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 23 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 24 25 1 0 0 0 0 24 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142348_p OpenBabel02171217032D 67 72 0 0 0 0 0 0 0 0999 V2000 16.3217 -2.5322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6073 -2.9446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3217 -1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8927 -2.5321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6073 -1.2946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8928 -1.7071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0362 -2.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6072 -3.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1783 -2.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1783 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6073 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8929 -0.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8927 -4.1821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8927 -5.0071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1782 -3.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1782 -5.4196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4638 -4.1821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4638 -5.0071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6072 -5.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1782 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1 0 0 0 0 268269 1 0 0 0 0 269270 1 0 0 0 0 269271 2 0 0 0 0 272273 2 0 0 0 0 272274 1 0 0 0 0 276277 1 0 0 0 0 276278 1 0 0 0 0 276293 1 1 0 0 0 276275 1 6 0 0 0 277279 1 0 0 0 0 278280 1 0 0 0 0 279281 1 0 0 0 0 279283 1 0 0 0 0 279287 1 1 0 0 0 280282 1 6 0 0 0 280281 1 0 0 0 0 281289 1 1 0 0 0 283284 1 0 0 0 0 283288 1 6 0 0 0 284285 1 0 0 0 0 284254 1 6 0 0 0 285286 1 0 0 0 0 289290 1 0 0 0 0 290291 1 0 0 0 0 290292 2 0 0 0 0 293294 2 0 0 0 0 293295 1 0 0 0 0 M END $$$$ 142353_p OpenBabel02171217032D 57 60 0 0 0 0 0 0 0 0999 V2000 11.6723 -6.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7789 -5.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0643 -4.7328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7790 -5.9701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0645 -6.3827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -5.9703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3500 -5.1453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0645 -7.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 -6.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 -4.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0643 -3.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6985 -8.1095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9837 -7.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2691 -8.1095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2691 -8.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9837 -9.3464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6985 -8.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5545 -7.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5818 -9.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9837 -10.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4131 -9.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8398 -8.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -10.7758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2796 -10.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -11.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 -11.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 -10.7758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2796 -12.0126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3686 -10.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 -11.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 -11.6003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2796 -12.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 -10.3359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8502 -9.5114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1080 -9.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -8.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 -11.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -10.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 -9.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 -12.0126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 -12.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -13.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 -13.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4125 -7.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1271 -5.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1271 -6.4596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4126 -5.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4126 -6.8721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6981 -5.6346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6981 -6.4596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8416 -5.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9837 -5.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8416 -6.8721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5560 -6.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2705 -6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5560 -5.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9837 -4.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 3 11 1 6 0 0 0 4 2 1 0 0 0 0 4 1 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 6 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 44 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 21 1 6 0 0 0 18 22 1 0 0 0 0 23 24 1 0 0 0 0 23 20 1 6 0 0 0 23 25 1 0 0 0 0 23 26 1 1 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 27 37 1 1 0 0 0 28 32 1 6 0 0 0 28 31 1 0 0 0 0 31 40 1 1 0 0 0 33 34 1 0 0 0 0 33 38 1 6 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 36 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 51 1 0 0 0 0 46 48 1 0 0 0 0 46 53 1 6 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 44 1 1 0 0 0 49 50 1 0 0 0 0 49 52 1 1 0 0 0 50 1 1 6 0 0 0 52 57 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 M END $$$$ 142354_p OpenBabel02171217032D 18 18 0 0 0 0 0 0 0 0999 V2000 -1.2670 -0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9814 -0.6777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9814 -1.5027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2670 -1.9152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5525 -1.5027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5525 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -1.9152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6959 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -2.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6959 -0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -2.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 -3.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -3.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 -0.6777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1248 -1.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 0.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9978 -1.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 1 0 0 0 3 4 1 0 0 0 0 3 9 1 6 0 0 0 4 5 1 0 0 0 0 4 10 1 1 0 0 0 5 6 1 0 0 0 0 5 8 1 6 0 0 0 6 7 1 0 0 0 0 8 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 2 0 0 0 0 M END $$$$ 142355_p OpenBabel02171217032D 41 44 0 0 0 0 0 0 0 0999 V2000 18.3331 -2.1509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3331 -2.9759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6187 -1.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6187 -3.3885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9042 -2.1509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9042 -2.9759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0476 -3.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6186 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1898 -3.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1898 -1.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9042 -4.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9042 -5.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1896 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1896 -5.8633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4752 -4.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4752 -5.4509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6186 -5.8634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1896 -6.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6186 -6.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3331 -7.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9041 -7.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4754 -2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0476 -1.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1909 -0.5010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1909 -1.3260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4763 -0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4765 -1.7384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7619 -0.5010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7621 -1.3260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9053 -1.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4765 -2.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0476 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9053 -0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7607 -5.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7607 -4.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0462 -4.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0462 -5.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2212 -5.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6306 -6.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8056 -6.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0399 -6.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 23 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 8 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 1 0 0 0 15 35 1 1 0 0 0 16 34 1 1 0 0 0 16 15 1 0 0 0 0 17 19 1 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 33 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 6 0 0 0 28 29 1 0 0 0 0 28 32 1 6 0 0 0 29 23 1 1 0 0 0 36 35 1 0 0 0 0 37 34 1 0 0 0 0 37 36 1 0 0 0 0 37 38 1 6 0 0 0 39 37 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 M END $$$$ 142356_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 12.2861 -15.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 -14.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2860 -15.8993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0092 -16.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5951 -16.3265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5951 -17.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8512 -15.9187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1489 -16.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8398 -15.1064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5422 -14.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -14.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4050 -15.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6705 -14.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9682 -15.1980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0003 -16.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2337 -14.8222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5428 -15.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 -13.9872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4579 -13.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9041 -13.5506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6384 -13.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8721 -12.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1282 -12.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 11 1 1 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 1 0 0 0 14 13 1 0 0 0 0 14 15 1 6 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 0 0 0 0 20 22 1 1 0 0 0 21 13 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 M END $$$$ 142357_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 10.7234 -8.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7234 -9.0606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0088 -7.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0088 -9.4731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2944 -8.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2944 -9.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4378 -9.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0088 -10.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5799 -9.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5799 -7.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8655 -8.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 -2.8881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9270 -1.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9270 -3.3006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2125 -2.0631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2125 -2.8881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5449 -4.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9270 -4.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4981 -3.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4981 -1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7836 -2.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6714 -5.1443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6714 -5.9693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9568 -4.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9568 -6.3818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2424 -5.1443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2424 -5.9693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5250 -7.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9568 -7.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5279 -6.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5279 -4.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8134 -5.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 -1.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 29 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 18 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 32 1 0 0 0 0 M END $$$$ 142487_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 22 23 1 0 0 0 0 M END $$$$ 142488_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 17.5139 -6.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5139 -6.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7994 -5.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7994 -7.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0850 -6.1577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0850 -6.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2284 -5.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2284 -7.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7994 -8.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3705 -7.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3705 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6560 -6.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 142489_p OpenBabel02171217032D 11 10 0 0 0 0 0 0 0 0999 V2000 5.8124 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 -4.1938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0487 -4.1938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4567 -4.9109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2850 -4.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6930 -5.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 -3.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -4.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4567 -3.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0487 -5.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6930 -4.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 8 1 1 0 0 0 3 2 1 0 0 0 0 3 9 1 1 0 0 0 4 3 1 0 0 0 0 4 10 1 6 0 0 0 5 4 1 0 0 0 0 5 11 1 6 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 M END $$$$ 142490_p OpenBabel02171217032D 40 43 0 0 0 0 0 0 0 0999 V2000 9.8628 -3.4856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8628 -4.3108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1484 -3.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 -4.7233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4339 -3.4856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4339 -4.3108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5773 -3.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5773 -4.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 -5.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 -4.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 -3.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0052 -3.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -3.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0051 -5.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0051 -5.9608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2905 -4.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2905 -6.3733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5763 -5.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5763 -5.9608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7195 -6.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2905 -7.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 -6.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 -4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 -5.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7207 -3.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7207 -4.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0063 -3.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0063 -4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -4.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4353 -4.7233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1497 -4.3108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5460 -4.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8642 -4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8316 -5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5460 -6.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2605 -5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2605 -4.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9750 -6.0262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6894 -5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9750 -6.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 13 1 0 0 0 0 12 11 1 0 0 0 0 13 27 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 10 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 1 0 0 0 18 19 1 0 0 0 0 18 23 1 1 0 0 0 19 22 1 1 0 0 0 24 23 1 0 0 0 0 26 25 2 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 28 2 0 0 0 0 29 13 1 0 0 0 0 30 26 1 4 0 0 0 30 31 2 0 0 0 0 31 33 1 4 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 M END $$$$ 143242_p OpenBabel02171217032D 40 40 0 0 0 0 0 0 0 0999 V2000 6.9563 -9.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9563 -8.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9563 -8.8748 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 -5.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 -5.9872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5272 -6.3997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5272 -7.2248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8128 -7.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9562 -7.2248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6705 -7.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9562 -6.3997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2418 -7.6373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6708 -8.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3831 -8.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0996 -8.4695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8120 -8.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5284 -8.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2409 -8.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9574 -8.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2366 -9.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8128 -5.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -5.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6699 -8.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3862 -8.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0987 -8.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8152 -8.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5275 -8.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2441 -8.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9565 -8.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6729 -7.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9565 -7.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2440 -7.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5276 -7.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8151 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0986 -7.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3863 -7.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -7.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6698 -7.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6729 -8.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 -8.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 2 1 0 0 0 0 3 13 1 0 0 0 0 3 40 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 1 0 0 0 7 12 1 0 0 0 0 7 8 1 1 0 0 0 9 11 1 0 0 0 0 9 10 1 1 0 0 0 11 22 1 6 0 0 0 12 9 1 0 0 0 0 12 40 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 39 30 1 0 0 0 0 M END $$$$ 143248_p OpenBabel02171217032D 68 73 0 0 0 0 0 0 0 0999 V2000 11.8534 -10.2773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5679 -9.8648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8534 -8.6273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1390 -9.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5679 -9.0398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1390 -9.8648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2824 -10.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8535 -11.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4245 -10.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4245 -11.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8534 -7.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4245 -6.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8534 -6.9775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5678 -6.5649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1390 -6.5649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5678 -5.7399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1390 -5.7399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8534 -5.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2823 -5.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4245 -5.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2823 -6.9775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9968 -6.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7111 -6.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9968 -5.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4245 -4.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9969 -3.2650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9969 -4.0900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2824 -2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2824 -4.5025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5679 -3.2650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5679 -4.0900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7114 -2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7114 -4.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8534 -4.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8534 -2.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -3.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8548 -1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8548 -2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1403 -1.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1403 -2.8525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4258 -1.6150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4258 -2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5692 -1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5692 -2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1402 -3.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7114 -1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9968 -1.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -5.7399 0.0000 O 0 0 0 0 0 0 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2 1 1 0 0 0 0 2 7 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 1 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 5 68 1 6 0 0 0 6 1 1 0 0 0 0 6 9 1 1 0 0 0 9 10 1 0 0 0 0 13 14 1 0 0 0 0 13 11 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 6 0 0 0 15 17 1 0 0 0 0 15 12 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 20 1 1 0 0 0 17 18 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 1 0 0 0 27 29 1 0 0 0 0 27 33 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 19 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 1 0 0 0 36 35 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 32 1 6 0 0 0 47 46 1 0 0 0 0 49 48 1 0 0 0 0 49 57 1 6 0 0 0 50 48 1 0 0 0 0 50 12 1 1 0 0 0 50 51 1 0 0 0 0 51 54 1 1 0 0 0 51 52 1 0 0 0 0 52 55 1 6 0 0 0 52 53 1 0 0 0 0 53 49 1 0 0 0 0 53 56 1 6 0 0 0 59 58 1 0 0 0 0 59 67 1 6 0 0 0 60 58 1 0 0 0 0 60 61 1 0 0 0 0 60 68 1 1 0 0 0 61 64 1 1 0 0 0 61 62 1 0 0 0 0 62 65 1 6 0 0 0 62 63 1 0 0 0 0 63 59 1 0 0 0 0 63 66 1 6 0 0 0 M END $$$$ 143249_p OpenBabel02171217032D 58 62 0 0 0 0 0 0 0 0999 V2000 5.1777 -8.2132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8922 -8.6257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6066 -7.3882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8921 -6.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 -8.2130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1777 -7.3882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3210 -8.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -9.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4633 -8.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4633 -6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -7.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 -9.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 -10.6882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3212 -9.4506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0356 -9.8630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0356 -10.6880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3212 -11.1006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7500 -9.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 -11.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3213 -11.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -11.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3211 -6.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3211 -6.1508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0356 -5.7383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6067 -5.7383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0356 -4.9133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6067 -4.9133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8922 -6.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3211 -4.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -4.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -4.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -6.1508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4645 -5.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1789 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4645 -4.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -3.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4645 -2.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4645 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143250_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 13.0572 -12.4754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7716 -12.8879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3427 -12.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7716 -13.7129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3427 -13.7129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0572 -14.1254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0571 -11.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4861 -12.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4861 -14.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0572 -14.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6283 -14.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 -10.4129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3427 -11.2379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6280 -10.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6280 -11.6504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9136 -10.4129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9136 -11.2379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6280 -12.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1992 -11.6504 0.0000 O 0 0 0 0 0 0 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0 0 1 0 0 0 0 0 0 0 0 0 14.2108 -8.3636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3543 -7.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3543 -8.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9253 -9.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4964 -8.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4964 -7.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4978 -5.8886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4978 -6.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7833 -5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7833 -7.1261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0688 -5.8886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0688 -6.7136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2123 -5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2123 -7.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7833 -7.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3543 -5.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 -5.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7833 -8.7761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4977 -9.1886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0687 -9.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4977 -10.0137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0687 -10.0136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7832 -10.4261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2122 -8.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2121 -10.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7832 -11.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3543 -10.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3543 -11.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3557 -4.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3557 -5.0636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6412 -3.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6412 -5.4761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9267 -4.2386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9267 -5.0636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2880 -4.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0702 -5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6412 -6.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2123 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4978 -4.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8071 -8.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 27 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 12 13 1 0 0 0 0 12 9 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 25 2 0 0 0 0 16 19 1 0 0 0 0 16 26 1 1 0 0 0 17 20 1 6 0 0 0 17 19 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 28 58 1 0 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 6 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 1 0 0 0 33 37 1 0 0 0 0 34 38 1 1 0 0 0 34 35 1 0 0 0 0 35 27 1 6 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 38 41 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 42 16 1 0 0 0 0 43 44 1 0 0 0 0 43 47 1 6 0 0 0 44 45 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 6 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51 56 1 1 0 0 0 52 53 1 0 0 0 0 52 58 1 1 0 0 0 53 57 1 6 0 0 0 57 92 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 65 1 1 0 0 0 60 62 1 0 0 0 0 60 66 1 6 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 62 67 1 1 0 0 0 63 64 1 0 0 0 0 63 68 1 1 0 0 0 64 54 1 1 0 0 0 69 68 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 70 67 1 1 0 0 0 71 73 1 0 0 0 0 71 76 1 6 0 0 0 72 74 1 0 0 0 0 73 75 1 0 0 0 0 73 77 1 1 0 0 0 74 75 1 0 0 0 0 74 79 1 1 0 0 0 75 78 1 6 0 0 0 80 79 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 81 87 1 1 0 0 0 82 84 1 0 0 0 0 82 88 1 6 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 84 89 1 1 0 0 0 85 86 1 0 0 0 0 85 90 1 1 0 0 0 86 65 1 6 0 0 0 91 90 1 0 0 0 0 M RAD 1 81 2 M END $$$$ 143253_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 12.0890 -6.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0890 -7.2734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8052 -7.6888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3729 -7.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3729 -8.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6569 -7.2677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9407 -7.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6567 -6.4427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3729 -6.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 -6.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2958 -5.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7279 -2.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 -3.3959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0120 -4.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7779 -5.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2958 -4.6305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5798 -4.2152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8636 -4.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5796 -3.3902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2958 -2.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8760 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -6.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5205 -7.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5222 -6.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2342 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 1 0 0 0 2 1 1 0 0 0 0 2 3 1 6 0 0 0 3 23 1 0 0 0 0 4 2 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 6 0 0 0 8 6 1 0 0 0 0 8 10 1 1 0 0 0 9 1 1 0 0 0 0 9 8 1 0 0 0 0 10 22 1 0 0 0 0 13 12 1 1 0 0 0 14 13 1 0 0 0 0 14 15 1 6 0 0 0 16 14 1 0 0 0 0 16 11 1 6 0 0 0 17 16 1 0 0 0 0 17 18 1 1 0 0 0 19 17 1 0 0 0 0 19 21 1 6 0 0 0 20 13 1 0 0 0 0 20 19 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 M END $$$$ 143254_p OpenBabel02171217032D 41 44 0 0 0 0 0 0 0 0999 V2000 9.9858 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7020 -11.8528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7020 -12.6779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4179 -13.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9859 -13.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2698 -12.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5537 -13.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 -11.8472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9859 -11.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5661 -11.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0887 -6.4483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0887 -7.2732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8049 -7.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3726 -7.6828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3726 -8.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6566 -7.2675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9404 -7.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6565 -6.4426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3726 -6.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9528 -6.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -10.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6577 -8.9196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6578 -9.7447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3938 -10.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -10.1543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2257 -9.7391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5095 -10.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2257 -8.9140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9417 -8.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5220 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2955 -5.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7276 -2.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0117 -3.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0117 -4.2207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7775 -5.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2955 -4.6304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5795 -4.2151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8634 -4.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5794 -3.3901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2955 -2.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 24 1 1 0 0 0 3 2 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 1 1 6 0 0 0 6 5 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 10 1 6 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 35 1 1 0 0 0 12 11 1 0 0 0 0 12 13 1 6 0 0 0 14 12 1 0 0 0 0 14 15 1 6 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 20 1 6 0 0 0 19 11 1 0 0 0 0 19 18 1 0 0 0 0 22 15 1 1 0 0 0 23 22 1 0 0 0 0 23 24 1 6 0 0 0 25 23 1 0 0 0 0 25 21 1 6 0 0 0 26 25 1 0 0 0 0 26 27 1 1 0 0 0 28 26 1 0 0 0 0 28 30 1 6 0 0 0 29 22 1 0 0 0 0 29 28 1 0 0 0 0 33 32 1 1 0 0 0 34 33 1 0 0 0 0 34 35 1 6 0 0 0 36 34 1 0 0 0 0 36 31 1 6 0 0 0 37 36 1 0 0 0 0 37 38 1 1 0 0 0 39 37 1 0 0 0 0 39 41 1 6 0 0 0 40 33 1 0 0 0 0 40 39 1 0 0 0 0 M END $$$$ 143257_p OpenBabel02171217032D 38 40 0 0 0 0 0 0 0 0999 V2000 13.1896 -5.2671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9041 -4.8546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1896 -6.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 -5.2671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9041 -6.5046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6185 -6.0920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9041 -4.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3331 -4.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3331 -6.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9041 -7.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4752 -4.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7606 -3.6171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7606 -4.4421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0462 -3.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0462 -4.8546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3318 -3.6171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3318 -4.4421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4752 -3.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0462 -5.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6174 -4.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6174 -3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3318 -6.0921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3318 -6.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6172 -5.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6172 -7.3296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9028 -6.0921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9028 -6.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0462 -7.3296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6172 -8.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1882 -7.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1882 -5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4738 -6.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0462 -8.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7606 -8.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3318 -8.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4752 -2.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1896 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1897 -1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 11 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 6 0 0 0 5 6 1 0 0 0 0 5 10 1 6 0 0 0 6 9 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 11 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 18 36 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 19 1 1 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 28 33 1 0 0 0 0 32 31 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 M END $$$$ 143259_p OpenBabel02171217032D 36 37 0 0 0 0 0 0 0 0999 V2000 15.2976 -13.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5832 -13.6973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5832 -14.5223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8686 -13.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8686 -14.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1542 -13.6973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1542 -14.5223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8686 -15.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4397 -14.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4397 -13.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7253 -13.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2976 -15.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5831 -16.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2976 -14.9348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0121 -16.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0109 -14.1098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0109 -14.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2964 -15.3473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5819 -14.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2964 -13.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -14.1098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3084 -16.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0109 -13.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2964 -12.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7255 -12.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8674 -15.3472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8673 -16.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1528 -16.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5818 -16.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 -13.6973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8676 -12.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1531 -14.1097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4386 -13.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -14.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7241 -14.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -13.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 14 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 1 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 17 1 0 0 0 0 16 11 1 6 0 0 0 16 23 1 1 0 0 0 18 17 1 0 0 0 0 18 22 1 6 0 0 0 19 18 1 0 0 0 0 19 26 1 1 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 21 30 1 0 0 0 0 21 36 1 1 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 6 0 0 0 33 35 1 0 0 0 0 M END $$$$ 143260_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 19.9596 -7.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6742 -5.8747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6742 -6.6997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9597 -5.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9597 -7.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2453 -5.8747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2453 -6.6997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3887 -5.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3887 -7.1122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5308 -7.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5308 -5.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8164 -5.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1030 -6.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1030 -5.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8175 -7.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5305 -10.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2451 -8.3497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2451 -9.1747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5307 -7.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5307 -9.5872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8162 -8.3497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8162 -9.1747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9596 -9.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1017 -9.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1017 -7.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3873 -8.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 1 0 0 0 9 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 1 1 1 0 0 0 18 20 1 0 0 0 0 18 23 1 6 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 16 1 1 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 24 1 1 0 0 0 26 25 1 0 0 0 0 M END $$$$ 143632_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 12.4308 -6.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4308 -7.1734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7163 -5.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7163 -7.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0018 -6.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0018 -7.1734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1452 -5.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1850 -8.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7163 -8.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 -7.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 -5.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5729 -6.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4308 -9.3700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4308 -10.1950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7163 -8.9575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7163 -10.6075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0018 -9.3700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0018 -10.1950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1452 -10.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7163 -11.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 -10.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 -8.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5729 -9.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 143633_p OpenBabel02171217032D 22 23 0 0 0 0 0 0 0 0999 V2000 11.1728 -2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1728 -3.5216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4584 -2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 -3.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7439 -2.6966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7439 -3.5216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6120 -2.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0662 -4.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4583 -4.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0294 -3.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0294 -2.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 -5.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 -5.8388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2607 -5.8388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2607 -6.6638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5462 -7.0763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8317 -6.6638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9751 -7.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 -7.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1173 -7.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1173 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0849 -7.9194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 13 12 1 0 0 0 0 13 21 1 1 0 0 0 14 12 1 0 0 0 0 14 8 1 6 0 0 0 14 15 1 0 0 0 0 15 18 1 6 0 0 0 15 16 1 0 0 0 0 16 19 1 1 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 17 20 1 1 0 0 0 19 22 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 143634_p OpenBabel02171217032D 49 52 0 0 0 0 0 0 0 0999 V2000 11.3123 -4.9711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3123 -5.7961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5978 -4.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5978 -6.2087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8834 -4.9711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8834 -5.7961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0268 -4.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0268 -6.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5978 -7.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1689 -6.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1689 -4.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4543 -4.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -7.4462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8834 -8.2712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1688 -7.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1688 -8.6837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4543 -7.4462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4543 -8.2712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5978 -8.6837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1688 -9.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7398 -8.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7398 -7.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 -7.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 -9.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0253 -9.9212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3109 -8.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3109 -10.3337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5964 -9.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5964 -9.9212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7398 -10.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3109 -11.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8819 -10.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8819 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 -9.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3123 -8.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3123 -7.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0267 -8.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4558 -5.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1702 -3.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1702 -4.1461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4558 -2.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4558 -4.5586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7413 -3.3212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7413 -4.1461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0662 -3.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8847 -4.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0268 -2.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3123 -3.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -7.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 35 1 0 0 0 0 23 22 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 21 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 45 1 1 0 0 0 40 42 1 0 0 0 0 40 46 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 38 1 1 0 0 0 43 44 1 0 0 0 0 43 47 1 1 0 0 0 44 7 1 6 0 0 0 48 47 1 0 0 0 0 M RAD 1 39 2 M END $$$$ 143794_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 10.3161 -7.2697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3161 -8.0948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0288 -8.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7413 -8.0948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7413 -7.2697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0288 -6.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4535 -6.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 -8.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0288 -9.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6016 -8.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -6.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5974 -6.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7450 -4.8008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7450 -5.6258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4535 -6.0322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1662 -5.6258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1662 -4.8008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4535 -4.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8824 -4.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0288 -4.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -3.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8806 -6.0373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0306 -6.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8794 -6.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5940 -7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1638 -7.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 1 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 6 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END $$$$ 143795_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 8.6701 -7.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6701 -8.8241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3846 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 -7.9990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0989 -8.8240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3844 -9.2365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8132 -7.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8134 -9.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3845 -10.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 -9.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3845 -6.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0991 -4.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0991 -5.5241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3846 -4.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3846 -5.9366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6701 -4.6991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6701 -5.5241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0391 -4.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8136 -5.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 -5.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 -4.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5280 -5.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5280 -4.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2425 -5.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 -3.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2412 -4.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 -4.2866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2412 -5.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5269 -5.9366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8124 -5.5241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8124 -4.6991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5267 -6.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -5.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -4.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5268 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -6.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 11 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 22 1 0 0 0 0 21 25 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 27 26 1 0 0 0 0 27 35 1 6 0 0 0 28 26 1 0 0 0 0 28 20 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 6 0 0 0 30 31 1 0 0 0 0 31 27 1 0 0 0 0 31 34 1 6 0 0 0 32 36 1 0 0 0 0 M RAD 1 12 2 M END $$$$ 144144_p OpenBabel02171217032D 22 23 0 0 0 0 0 0 0 0999 V2000 9.7480 -12.4828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0344 -12.8965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0344 -13.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -12.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6071 -12.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -11.6548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6072 -11.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0345 -11.2408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7480 -11.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0346 -10.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4629 -12.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6061 -14.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3207 -12.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3207 -13.7196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6061 -12.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6061 -14.1321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8917 -12.8946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8917 -13.7196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0351 -14.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1773 -14.1321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1773 -12.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0352 -12.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 3 1 6 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 10 1 6 0 0 0 9 1 1 0 0 0 0 9 8 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 12 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 M END $$$$ 144556_p OpenBabel02171217032D 71 76 0 0 0 0 0 0 0 0999 V2000 13.6980 -4.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6980 -4.9611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9835 -3.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 -5.3738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2690 -4.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2690 -4.9611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4124 -3.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4124 -5.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 -6.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5545 -5.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5545 -3.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8399 -4.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2690 -6.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2690 -7.4363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5544 -6.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5544 -7.8488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8399 -6.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8399 -7.4363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9835 -7.8488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5544 -8.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1254 -7.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1254 -6.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 -6.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 -8.2613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4110 -9.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6965 -7.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6965 -9.4989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9820 -8.2613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9820 -9.0863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1254 -9.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6965 -10.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2675 -9.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2675 -7.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5530 -8.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6980 -7.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6980 -6.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4124 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8414 -4.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5559 -2.4862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5559 -3.3112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8414 -2.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8414 -3.7237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1269 -2.4862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1269 -3.3112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2704 -2.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2704 -3.7237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4124 -2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6980 -2.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9849 -3.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9849 -2.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6994 -3.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2704 -4.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9849 -4.9613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5559 -4.9613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5559 -5.7863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2704 -6.1987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9849 -5.7863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8414 -6.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2704 -7.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6993 -6.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6993 -4.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 -8.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6979 -9.0864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2689 -9.0864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2689 -9.9114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9834 -10.3238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6979 -9.9114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5544 -10.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 -11.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4123 -10.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4123 -8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 35 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 21 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 45 1 1 0 0 0 40 42 1 0 0 0 0 40 46 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 38 1 1 0 0 0 43 44 1 0 0 0 0 43 47 1 1 0 0 0 44 7 1 6 0 0 0 46 49 1 0 0 0 0 48 47 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 53 52 1 0 0 0 0 53 61 1 1 0 0 0 54 52 1 0 0 0 0 54 38 1 6 0 0 0 54 55 1 0 0 0 0 55 58 1 6 0 0 0 55 56 1 0 0 0 0 56 59 1 1 0 0 0 56 57 1 0 0 0 0 57 53 1 0 0 0 0 57 60 1 1 0 0 0 63 62 1 0 0 0 0 63 71 1 1 0 0 0 64 62 1 0 0 0 0 64 20 1 6 0 0 0 64 65 1 0 0 0 0 65 68 1 6 0 0 0 65 66 1 0 0 0 0 66 69 1 1 0 0 0 66 67 1 0 0 0 0 67 63 1 0 0 0 0 67 70 1 1 0 0 0 M END $$$$ 144562_p OpenBabel02171217032D 16 15 0 0 0 0 0 0 0 0999 V2000 10.6071 -1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -3.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -3.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -4.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -5.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3216 -5.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3216 -1.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 -2.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4321 -2.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 -3.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4321 -3.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 -3.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4321 -3.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 -4.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4321 -4.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 1 0 0 0 3 2 1 0 0 0 0 3 11 1 1 0 0 0 3 12 1 1 0 0 0 4 3 1 0 0 0 0 4 13 1 1 0 0 0 4 14 1 1 0 0 0 5 4 1 0 0 0 0 5 15 1 1 0 0 0 5 16 1 1 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 M RAD 1 6 3 M END $$$$ 144825_p OpenBabel02171217032D 31 33 0 0 0 0 0 0 0 0999 V2000 11.8655 -1.4411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8655 -2.2659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1508 -1.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -2.6787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4366 -1.4411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4366 -2.2662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5799 -1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6197 -3.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -3.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7219 -2.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9106 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 -4.4430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9947 -5.2679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2800 -4.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2802 -5.6806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5658 -4.4430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5658 -5.2680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7290 -6.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2802 -6.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8511 -5.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0399 -4.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 -7.5145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1239 -8.3394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4092 -7.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4094 -8.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6950 -7.5145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6950 -8.3396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8383 -8.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4094 -9.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9804 -8.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1691 -7.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 18 1 1 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 6 0 0 0 26 27 1 0 0 0 0 26 31 1 6 0 0 0 27 30 1 1 0 0 0 M END $$$$ 144826_p OpenBabel02171217032D 46 49 0 0 0 0 0 0 0 0999 V2000 3.8947 -4.9799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8947 -5.8049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1801 -4.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 -6.2174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4657 -4.9799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4657 -5.8049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6091 -4.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 -6.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 -7.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 -6.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 -4.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -4.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4657 -7.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4657 -8.2800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7510 -7.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 -8.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0368 -7.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0368 -8.2803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7512 -9.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 -8.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 -8.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 -2.5049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3237 -3.3299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6091 -2.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 -3.7424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8947 -2.5049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8947 -3.3299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0381 -2.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -3.7424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 -3.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 -2.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4657 -2.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -4.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7526 -4.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 -4.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1818 -0.8547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1818 -1.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4671 -0.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4672 -2.0923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7528 -0.8547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7528 -1.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8962 -0.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4672 -2.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8963 -2.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 1 0 0 0 14 16 1 0 0 0 0 14 22 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 6 0 0 0 17 18 1 0 0 0 0 17 21 1 6 0 0 0 18 20 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 7 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 30 34 1 0 0 0 0 33 32 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 1 0 0 0 38 40 1 0 0 0 0 38 46 1 6 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 6 0 0 0 41 42 1 0 0 0 0 41 45 1 6 0 0 0 42 29 1 1 0 0 0 M END $$$$ 144827_p OpenBabel02171217032D 42 45 0 0 0 0 0 0 0 0999 V2000 15.4159 -1.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4159 -2.4095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7014 -1.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7014 -2.8220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9870 -1.5846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9870 -2.4095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4562 -1.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1800 -3.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7013 -3.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2724 -2.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2724 -1.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4855 -4.6757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4855 -5.5007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7709 -4.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7709 -5.9131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0565 -4.6757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0565 -5.5007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1999 -6.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7709 -6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3420 -5.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3420 -4.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4954 -7.7371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4954 -8.5621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7810 -7.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7810 -8.9746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0664 -7.7371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0664 -8.5621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2098 -8.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7808 -9.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3520 -8.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3520 -7.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0664 -10.2121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0664 -11.0370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3518 -9.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3518 -11.4496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6375 -10.2121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6375 -11.0370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7808 -11.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3518 -12.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9230 -11.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9230 -9.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8347 -12.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 18 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 29 1 6 0 0 0 33 35 1 0 0 0 0 33 38 1 1 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 1 0 0 0 36 37 1 0 0 0 0 36 41 1 1 0 0 0 37 40 1 6 0 0 0 39 42 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 144828_p OpenBabel02171217032D 52 56 0 0 0 0 0 0 0 0999 V2000 8.3846 -4.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3846 -5.1715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6701 -3.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6701 -5.5840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9557 -4.3465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9557 -5.1715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2750 -4.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1488 -6.4189 0.0000 O 0 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-7.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5976 -6.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7411 -8.2628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4556 -8.6753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7411 -7.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 -8.2628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4556 -7.0253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1701 -7.4378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4556 -9.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8846 -8.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8845 -7.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4556 -6.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7397 -9.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 -9.9128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0252 -10.7378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3108 -9.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3108 -11.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5962 -9.9128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5962 -10.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7397 -11.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3107 -11.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 -11.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 -9.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8955 -10.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 20 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 1 0 0 0 16 17 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 6 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 20 1 1 0 0 0 22 24 1 0 0 0 0 22 27 1 6 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 6 0 0 0 25 26 1 0 0 0 0 25 30 1 6 0 0 0 26 29 1 1 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 28 1 1 0 0 0 32 34 1 0 0 0 0 32 37 1 6 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 38 1 6 0 0 0 35 36 1 0 0 0 0 35 40 1 6 0 0 0 36 39 1 1 0 0 0 38 52 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 41 1 6 0 0 0 43 45 1 0 0 0 0 43 48 1 1 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 1 0 0 0 46 47 1 0 0 0 0 46 51 1 1 0 0 0 47 50 1 6 0 0 0 M RAD 1 1 2 M END $$$$ 144829_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 10.9992 -0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 -1.4756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2847 -0.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2847 -1.8881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5703 -0.6507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5703 -1.4756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4742 -0.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7633 -2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2846 -2.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8557 -1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8557 -0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0688 -3.7418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0688 -4.5668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3542 -3.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -4.9792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6398 -3.7418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6398 -4.5668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7832 -5.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -5.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9253 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9253 -3.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0788 -6.8031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0788 -7.6281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3644 -6.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3644 -8.0406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6497 -6.8031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6497 -7.6281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7932 -8.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3641 -8.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 -8.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 -6.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6497 -9.2781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6497 -10.1031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9351 -8.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9351 -10.5156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2208 -9.2781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2208 -10.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3641 -10.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9351 -11.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5063 -10.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5063 -8.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8182 -11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 -10.9282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7919 -11.7532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0773 -10.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0773 -12.1657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3629 -10.9282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3629 -11.7532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5063 -12.1657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0773 -12.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -12.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -10.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -10.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5063 -12.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -13.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 -13.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 18 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 29 1 6 0 0 0 33 35 1 0 0 0 0 33 38 1 1 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 1 0 0 0 36 37 1 0 0 0 0 36 41 1 1 0 0 0 37 40 1 6 0 0 0 39 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 40 1 1 0 0 0 44 46 1 0 0 0 0 44 49 1 6 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 50 1 1 0 0 0 47 48 1 0 0 0 0 47 52 1 1 0 0 0 48 51 1 6 0 0 0 49 54 1 0 0 0 0 53 52 1 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 144830_p OpenBabel02171217032D 53 57 0 0 0 0 0 0 0 0999 V2000 15.4042 -9.9615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1186 -10.3740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6897 -10.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1186 -11.1992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6898 -11.1990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4041 -11.6114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8332 -9.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8330 -11.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 -12.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9753 -11.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 -9.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0394 -0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0394 -1.7464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3248 -0.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3248 -2.1589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6104 -0.9215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6104 -1.7464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5825 -0.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8035 -2.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3248 -2.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8959 -2.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8959 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1090 -4.0126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1090 -4.8376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3944 -3.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3944 -5.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6800 -4.0126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6800 -4.8376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8234 -6.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3944 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9655 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9655 -3.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1188 -7.0740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1188 -7.8990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4044 -6.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4044 -8.3115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6898 -7.0740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6898 -7.8990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8332 -8.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9754 -8.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9754 -6.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2640 -8.7240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5964 -8.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0089 -9.5086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4216 -10.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 -9.5086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7714 -10.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9185 -7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1322 -8.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5488 -9.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9289 -8.7240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9289 -7.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7779 -11.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 11 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 8 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 17 21 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 19 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 29 1 6 0 0 0 34 36 1 0 0 0 0 34 39 1 1 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 11 1 1 0 0 0 37 38 1 0 0 0 0 37 41 1 1 0 0 0 38 40 1 6 0 0 0 42 40 1 1 0 0 0 43 42 1 0 0 0 0 43 51 1 0 0 0 0 44 42 1 0 0 0 0 44 45 1 6 0 0 0 46 44 1 0 0 0 0 46 47 1 1 0 0 0 49 48 1 0 0 0 0 49 50 1 6 0 0 0 51 46 1 0 0 0 0 51 49 1 0 0 0 0 51 52 1 1 0 0 0 M RAD 1 12 2 M END $$$$ 144831_p OpenBabel02171217032D 32 34 0 0 0 0 0 0 0 0999 V2000 15.7086 -4.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6554 -4.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6554 -5.2661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9408 -4.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9408 -5.6785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2264 -4.4411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2264 -5.2661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3698 -6.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9408 -6.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5119 -5.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5119 -4.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6653 -7.5025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6653 -8.3275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9509 -7.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9509 -8.7400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2362 -7.5025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2362 -8.3275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3797 -8.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9506 -9.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5218 -8.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5218 -7.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2362 -9.9775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2362 -10.8024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5217 -9.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5217 -11.2150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8074 -9.9775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8074 -10.8024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9506 -11.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5217 -12.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0929 -11.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0929 -9.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9524 -12.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 19 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 29 32 1 0 0 0 0 M RAD 1 2 2 M END $$$$ 144832_p OpenBabel02171217032D 43 46 0 0 0 0 0 0 0 0999 V2000 11.6588 -10.8618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3732 -11.2743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9443 -11.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 -12.0995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9444 -12.0993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6587 -12.5117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0878 -10.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0876 -12.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6588 -13.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2299 -12.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6588 -10.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2309 -4.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3636 -4.9130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3636 -5.7380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6490 -4.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6490 -6.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9346 -4.9130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9346 -5.7380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0780 -6.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6490 -6.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2201 -6.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2201 -4.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3734 -7.9743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3734 -8.7993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6590 -7.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6590 -9.2118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9444 -7.9743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9444 -8.7993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0878 -9.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2300 -9.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2300 -7.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5186 -9.6243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8509 -9.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2635 -10.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6762 -11.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4385 -10.4090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0260 -11.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1731 -8.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3868 -9.4108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8034 -9.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1835 -9.6243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1835 -8.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0325 -12.5063 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 11 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 8 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 19 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 11 1 1 0 0 0 27 28 1 0 0 0 0 27 31 1 1 0 0 0 28 30 1 6 0 0 0 32 30 1 1 0 0 0 33 32 1 0 0 0 0 33 41 1 0 0 0 0 34 32 1 0 0 0 0 34 35 1 6 0 0 0 36 34 1 0 0 0 0 36 37 1 1 0 0 0 39 38 1 0 0 0 0 39 40 1 6 0 0 0 41 36 1 0 0 0 0 41 39 1 0 0 0 0 41 42 1 1 0 0 0 A 43 H M END $$$$ 144983_p OpenBabel02171217032D 16 15 0 0 0 0 0 0 0 0999 V2000 3.3628 -9.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -10.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -11.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -12.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -13.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -14.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 -14.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 -9.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -10.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -10.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -11.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -11.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -12.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -12.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -13.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -13.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 1 0 0 0 3 2 1 0 0 0 0 3 11 1 1 0 0 0 3 12 1 1 0 0 0 4 3 1 0 0 0 0 4 13 1 1 0 0 0 4 14 1 1 0 0 0 5 4 1 0 0 0 0 5 15 1 1 0 0 0 5 16 1 1 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 M END $$$$ 144984_p OpenBabel02171217032D 35 36 0 0 0 0 0 0 0 0999 V2000 13.2350 -3.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5205 -2.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2350 -4.1739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5205 -4.5864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8061 -3.3489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8061 -4.1739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1289 -3.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9494 -4.5864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5205 -5.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -4.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 -3.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -2.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3773 -4.9989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6627 -4.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3773 -5.8239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6627 -6.2364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9481 -4.9989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9481 -5.8239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0917 -6.2364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6627 -7.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2337 -6.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2337 -4.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5193 -4.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2337 -3.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4633 -6.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9493 -5.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6638 -5.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2349 -5.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0915 -7.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8061 -7.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 -7.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9483 -7.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9483 -8.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2337 -7.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 6 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 3 8 1 6 0 0 0 3 4 1 0 0 0 0 4 9 1 1 0 0 0 4 6 1 0 0 0 0 5 11 1 1 0 0 0 5 6 1 0 0 0 0 6 10 1 1 0 0 0 8 27 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 6 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 6 0 0 0 16 17 1 0 0 0 0 17 21 1 1 0 0 0 17 19 1 0 0 0 0 18 23 1 1 0 0 0 18 19 1 0 0 0 0 19 22 1 1 0 0 0 20 30 1 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 24 23 1 0 0 0 0 25 23 2 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 31 30 2 0 0 0 0 32 30 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 M RAD 1 1 2 M END $$$$ 144985_p OpenBabel02171217032D 14 14 0 0 0 0 0 0 0 0999 V2000 7.6480 -11.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 -11.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 -12.5960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9335 -13.0085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2190 -11.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2190 -12.5960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3624 -13.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 -13.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5046 -13.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5046 -11.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 -11.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5046 -10.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -12.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3225 -11.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 14 1 6 0 0 0 2 5 1 0 0 0 0 3 7 1 6 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 6 1 0 0 0 0 5 10 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 1 0 0 0 9 13 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 M RAD 1 1 2 M END $$$$ 144986_p OpenBabel02171217032D 36 37 0 0 0 0 0 0 0 0999 V2000 12.2700 -4.9921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5555 -4.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 -5.8171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5555 -6.2296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8410 -4.9921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8410 -5.8171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9844 -4.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9844 -6.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5555 -7.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1266 -6.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1266 -4.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4121 -4.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1266 -3.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4122 -6.6421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6977 -6.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4122 -7.4671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6977 -7.8796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9831 -6.6421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9831 -7.4671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1266 -7.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6977 -8.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -7.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -6.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5543 -6.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -5.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8272 -4.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -7.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9843 -7.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6988 -7.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2699 -7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1265 -8.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8410 -9.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4121 -9.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 -9.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 -9.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -8.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 6 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 3 8 1 6 0 0 0 3 4 1 0 0 0 0 4 9 1 1 0 0 0 4 6 1 0 0 0 0 5 11 1 1 0 0 0 5 6 1 0 0 0 0 6 10 1 1 0 0 0 7 26 1 0 0 0 0 8 28 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 6 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 6 0 0 0 16 17 1 0 0 0 0 17 21 1 1 0 0 0 17 19 1 0 0 0 0 18 23 1 1 0 0 0 18 19 1 0 0 0 0 19 22 1 1 0 0 0 20 31 1 0 0 0 0 21 34 1 0 0 0 0 22 27 1 0 0 0 0 24 23 1 0 0 0 0 25 23 2 0 0 0 0 29 28 2 0 0 0 0 30 28 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 M END $$$$ 144987_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 12.1391 -3.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1391 -4.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4246 -2.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4246 -4.6482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7101 -3.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7101 -4.2357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8536 -2.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4246 -5.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9957 -4.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9957 -2.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2813 -3.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8536 -4.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2813 -5.0606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2813 -5.8856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5667 -4.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -6.2981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8524 -5.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8524 -5.8856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9957 -6.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -7.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 -6.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 -4.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4234 -5.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 144988_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 10.5015 -6.2372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5015 -7.0622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7870 -5.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7870 -7.4748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0725 -6.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0725 -7.0622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2160 -5.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 -7.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 -8.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 -7.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 -5.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6436 -6.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3594 -4.5872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3594 -5.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6449 -4.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6449 -5.8247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9305 -4.5872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9305 -5.4122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0739 -4.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -5.8247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6449 -6.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 -4.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5015 -4.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7885 -2.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7885 -2.9372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0739 -1.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -3.3497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3595 -2.1122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3595 -2.9372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5029 -1.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5029 -3.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6450 -3.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6450 -1.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9305 -2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -6.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7884 -7.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3594 -7.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 1 0 0 0 20 35 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 19 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 144989_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 10.5015 -6.2372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5015 -7.0622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7870 -5.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7870 -7.4748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0725 -6.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0725 -7.0622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2160 -5.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 -7.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 -8.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 -7.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 -5.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6436 -6.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3594 -4.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3594 -5.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6449 -4.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6449 -5.8247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9305 -4.5872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9305 -5.4122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0739 -4.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -5.8247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6449 -6.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 -4.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5015 -4.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -6.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7884 -7.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3594 -7.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 1 0 0 0 20 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 144990_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 7.1120 -6.4162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1120 -7.2412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3975 -6.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 -7.6537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6831 -6.4162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6831 -7.2412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8265 -7.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 -8.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 -7.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 -6.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 -6.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8265 -6.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3976 -5.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5411 -3.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5411 -4.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8265 -3.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8265 -5.1786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1121 -3.9411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1121 -4.7661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2555 -3.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 -5.1787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3976 -3.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6831 -3.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 -6.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9699 -6.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 -6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 12 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 1 0 0 0 19 13 1 1 0 0 0 21 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 144991_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 7.3576 -5.7601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3576 -6.5851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6430 -5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 -6.9976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9286 -5.7601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9286 -6.5851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0720 -6.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 -7.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 -6.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 -5.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4997 -5.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -3.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3589 -2.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3589 -3.6976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6444 -2.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6444 -3.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7879 -2.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 -3.6976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3589 -4.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 -3.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 -2.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 -4.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2155 -4.9351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5010 -3.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -5.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7866 -4.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7866 -4.9351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9299 -5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -6.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -3.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 -4.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 -4.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5023 -4.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -4.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 20 35 1 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 22 1 1 0 0 0 26 28 1 0 0 0 0 26 31 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 12 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 144992_p OpenBabel02171217032D 36 36 0 0 0 0 0 0 0 0999 V2000 6.4923 -3.8914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4923 -3.0664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7773 -2.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0898 -3.0664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0898 -3.8914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7773 -4.3039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4923 -1.4164 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.9223 -3.0664 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -5.1289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 -5.5139 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 -3.8914 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 -1.8289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -2.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 -5.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 -4.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -4.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 -2.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 -3.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5098 -3.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6773 -4.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 -1.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3823 -5.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 -2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 -5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 -6.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6373 -3.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0323 -5.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 -3.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 -4.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3348 -2.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0798 -0.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -1.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 6 0 0 0 2 1 1 0 0 0 0 2 13 1 1 0 0 0 3 2 1 0 0 0 0 3 15 1 1 0 0 0 4 3 1 0 0 0 0 4 18 1 1 0 0 0 5 4 1 0 0 0 0 5 16 1 6 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 6 14 1 1 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 11 1 0 0 0 0 17 9 1 0 0 0 0 18 12 1 0 0 0 0 19 11 2 0 0 0 0 20 8 2 0 0 0 0 21 10 2 0 0 0 0 22 12 2 0 0 0 0 23 9 2 0 0 0 0 24 7 2 0 0 0 0 25 10 1 0 0 0 0 26 10 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 9 1 0 0 0 0 30 11 1 0 0 0 0 31 11 1 0 0 0 0 32 8 1 0 0 0 0 33 7 1 0 0 0 0 34 7 1 0 0 0 0 35 12 1 0 0 0 0 36 12 1 0 0 0 0 M END $$$$ 144993_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 3 1 0 0 0 0 2 9 1 1 0 0 0 3 4 1 0 0 0 0 3 10 1 1 0 0 0 4 5 1 0 0 0 0 4 12 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 6 8 1 6 0 0 0 M END $$$$ 144994_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 12.9209 -9.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1570 -10.0607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1570 -10.8857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4425 -9.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4424 -11.2982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7281 -10.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7279 -10.8857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4422 -12.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0135 -11.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0137 -9.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 -10.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7719 -6.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0079 -7.0293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0079 -7.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2934 -6.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2934 -8.2666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5790 -7.0291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5788 -7.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2931 -9.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8645 -8.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8645 -6.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1501 -7.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8886 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8886 -1.7711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1741 -0.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1741 -2.1836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4597 -0.9462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4595 -1.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7222 -2.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1738 -3.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7451 -2.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7453 -0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 -0.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6030 -0.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9582 -3.9978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9582 -4.8226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2437 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2436 -5.2351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5293 -3.9976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5291 -4.8226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2434 -6.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 -5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8149 -3.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1004 -3.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8714 -11.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 1 0 0 0 3 5 1 0 0 0 0 3 45 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 9 1 6 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 1 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 32 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 29 1 6 0 0 0 36 38 1 0 0 0 0 36 12 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 1 0 0 0 39 40 1 0 0 0 0 39 43 1 1 0 0 0 40 42 1 6 0 0 0 44 43 1 0 0 0 0 M END $$$$ 144995_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 20.5356 -6.8957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2500 -7.3082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8210 -7.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2500 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8211 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5356 -8.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5355 -6.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9645 -6.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9645 -8.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5356 -9.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1066 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1066 -9.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8210 -4.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8210 -5.6582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1065 -4.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1065 -6.0707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3921 -4.8332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3921 -5.6582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5355 -4.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1065 -6.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6776 -6.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6776 -4.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9631 -4.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 7 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 144996_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 12.5096 -17.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8545 -17.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5096 -18.3715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1579 -17.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2027 -17.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8545 -18.7474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1579 -18.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 -17.2439 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2027 -18.3715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5614 -17.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -19.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 -17.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 -16.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 -17.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5614 -18.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9855 -17.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 6 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 1 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 1 0 0 0 6 11 1 1 0 0 0 6 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 6 0 0 0 10 16 1 0 0 0 0 M END $$$$ 144997_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 0.1875 1.9188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5270 1.5063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2414 1.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 0.6812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2414 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.6812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6164 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.2687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1875 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 1.5063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6164 1.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 2.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 3.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 2.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 3.1563 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 3.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 3 1 1 0 0 0 4 8 1 0 0 0 0 4 5 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 6 0 0 0 10 11 1 6 0 0 0 12 15 1 0 0 0 0 15 13 2 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 144998_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 6 0 0 0 9 6 1 0 0 0 0 10 8 1 6 0 0 0 11 12 1 0 0 0 0 M END $$$$ 144999_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 6 0 0 0 1 4 1 0 0 0 0 2 1 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 9 1 1 0 0 0 4 6 1 0 0 0 0 5 11 1 1 0 0 0 5 6 1 0 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 145000_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 1 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 3 12 1 1 0 0 0 3 4 1 0 0 0 0 4 7 1 6 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 9 1 6 0 0 0 10 11 1 0 0 0 0 13 15 2 0 0 0 0 15 12 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 145001_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 11.8856 -7.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2339 -6.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8856 -7.9504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5373 -6.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5821 -7.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2339 -8.3297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5373 -8.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2856 -6.8262 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5821 -7.9504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9408 -6.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2339 -9.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0373 -6.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2856 -6.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2856 -7.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 -8.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3753 -7.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 6 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 6 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 1 0 0 0 6 11 1 1 0 0 0 6 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 1 0 0 0 10 16 1 0 0 0 0 M END $$$$ 145002_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 1 0 0 0 1 6 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 12 1 6 0 0 0 3 4 1 0 0 0 0 4 7 1 6 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 6 0 0 0 10 11 1 0 0 0 0 13 15 2 0 0 0 0 15 12 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 145003_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 5.8527 -10.7747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8527 -11.5997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1382 -10.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -12.0122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4238 -10.7747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4238 -11.5997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5672 -10.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -12.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -12.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 -12.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 -10.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 -10.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -9.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -9.9497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9961 -8.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -10.3622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2817 -9.1247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2817 -9.9497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4251 -8.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4251 -10.3622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -11.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -8.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8527 -9.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 -9.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 -9.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 -10.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 6 0 0 0 20 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 145004_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 7.0853 -9.2440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0853 -10.0690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3707 -8.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 -10.4815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6563 -9.2440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6563 -10.0690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7997 -8.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 -10.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 -11.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -10.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -8.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 -9.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9432 -7.5940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9432 -8.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2286 -7.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2286 -8.8315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5142 -7.5940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5142 -8.4190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6576 -7.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6576 -8.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2286 -9.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 -7.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0853 -7.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3722 -5.1190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3722 -5.9440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6576 -4.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6576 -6.3565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9432 -5.1190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9432 -5.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0866 -4.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0866 -6.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2287 -6.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2287 -4.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5142 -5.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2301 -3.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2301 -4.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5155 -3.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5155 -4.7065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8011 -3.4690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8011 -4.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9445 -3.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9445 -4.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5155 -5.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0866 -3.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3722 -3.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 19 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 0 0 0 0 36 38 1 0 0 0 0 36 42 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 43 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 30 1 6 0 0 0 45 44 1 0 0 0 0 M END $$$$ 145005_p OpenBabel02171217032D 31 33 0 0 0 0 0 0 0 0999 V2000 16.6825 -5.1190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6825 -5.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9679 -4.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 -6.3565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2535 -5.1190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2535 -5.9440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3969 -4.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3969 -6.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 -7.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5390 -6.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5390 -4.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2534 -7.5940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2534 -8.4190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5389 -7.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5389 -8.8315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8245 -7.5940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8245 -8.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9679 -8.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5389 -9.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 -8.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 -7.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 -9.6566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6824 -10.0691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2534 -10.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6823 -10.8941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2534 -10.8941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9679 -11.3066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3969 -9.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3968 -11.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 -12.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5389 -11.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 9 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 18 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 M END $$$$ 145006_p OpenBabel02171217032D 31 33 0 0 0 0 0 0 0 0999 V2000 7.0195 -4.0356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0196 -4.8606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3050 -3.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -5.2732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5906 -4.0357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5906 -4.8607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7340 -3.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7340 -5.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -6.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 -5.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 -3.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7386 -6.0932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4530 -6.5057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0241 -6.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -7.3307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0241 -7.3307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7386 -7.7432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1675 -6.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 -7.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7386 -8.5682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3096 -7.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1692 -8.5753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8837 -8.9878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4547 -8.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8837 -9.8128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4548 -9.8129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1693 -10.2254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5981 -8.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5982 -10.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1693 -11.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7403 -10.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 19 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 M END $$$$ 145007_p OpenBabel02171217032D 31 33 0 0 0 0 0 0 0 0999 V2000 7.0195 -4.0356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0196 -4.8606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3050 -3.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -5.2732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5906 -4.0357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5906 -4.8607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7340 -3.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7340 -5.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -6.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 -5.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 -3.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4419 -5.6808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1563 -5.2682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4420 -6.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8708 -5.6807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1565 -6.9182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8709 -6.5056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1561 -4.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5852 -5.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5854 -6.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1566 -7.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -6.5133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5952 -7.3383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8807 -6.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 -7.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1662 -6.5133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1662 -7.3383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3097 -7.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 -8.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -7.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -6.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 9 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 M END $$$$ 145008_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 9.3566 -10.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6467 -11.1353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6467 -11.9603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9322 -10.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9322 -12.3728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2178 -11.1353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2178 -11.9603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3612 -12.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9322 -13.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5033 -12.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5033 -10.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7898 -12.7824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7898 -13.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0751 -12.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -14.0199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3607 -12.7824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3607 -13.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5042 -14.0199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -14.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -14.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -12.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -12.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -14.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 -15.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 -15.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 10 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 18 23 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 M END $$$$ 145009_p OpenBabel02171217032D 53 57 0 0 0 0 0 0 0 0999 V2000 14.5671 -21.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5733 -22.9975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7159 -20.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7283 -23.6571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8707 -21.6567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8769 -22.9867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4167 -20.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4246 -23.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7345 -24.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0318 -23.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0194 -20.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5593 -17.6746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5593 -19.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4074 -17.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4074 -19.6696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2556 -17.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2556 -19.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7111 -17.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7111 -19.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1038 -19.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1038 -17.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8630 -15.0146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7112 -15.6796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8630 -13.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5593 -15.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7112 -13.0195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5594 -13.6845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0148 -15.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4075 -15.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4076 -13.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7113 -11.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3184 -15.6797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1666 -15.0146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4703 -15.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1667 -13.6846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4703 -13.6846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3185 -13.0196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3184 -17.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0149 -13.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3185 -11.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6221 -13.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4406 -16.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7200 -24.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9520 -19.0045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8002 -19.6695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9520 -17.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6483 -19.0044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8002 -17.0095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6484 -17.6744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8001 -20.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4965 -19.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 -17.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8003 -15.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 9 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 6 0 0 0 23 25 1 0 0 0 0 23 18 1 1 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 6 0 0 0 33 35 1 0 0 0 0 33 28 1 1 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 1 0 0 0 36 37 1 0 0 0 0 36 41 1 1 0 0 0 37 40 1 6 0 0 0 38 42 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 20 1 6 0 0 0 45 47 1 0 0 0 0 45 50 1 6 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 1 0 0 0 48 49 1 0 0 0 0 48 53 1 1 0 0 0 49 52 1 1 0 0 0 M END $$$$ 145010_p OpenBabel02171217032D 21 22 0 0 0 0 0 0 0 0999 V2000 21.5874 -10.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5874 -10.9039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8729 -9.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8729 -11.3164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1584 -10.0789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1584 -10.9039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3019 -9.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3019 -11.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8728 -12.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4439 -11.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4439 -9.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1583 -12.5540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1583 -13.3790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4438 -12.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4438 -13.7915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7294 -12.5540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7294 -13.3790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8728 -13.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4438 -14.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0150 -13.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0150 -12.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 9 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 M END $$$$ 145011_p OpenBabel02171217032D 43 46 0 0 0 0 0 0 0 0999 V2000 19.4384 -24.8723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4446 -26.2023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5872 -24.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5996 -26.8619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7420 -24.8615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7483 -26.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2880 -24.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2959 -26.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6058 -28.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9032 -26.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8908 -24.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4306 -20.8794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4306 -22.2094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2787 -20.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2787 -22.8744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1270 -20.8794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1270 -22.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5824 -20.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5824 -22.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9751 -22.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9751 -20.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9231 -28.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8233 -22.2094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6715 -22.8743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8233 -20.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5197 -22.2092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6716 -20.2143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5197 -20.8793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6714 -24.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3678 -22.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3679 -20.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6716 -18.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7342 -18.2194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5824 -18.8844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7342 -16.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4306 -18.2193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5824 -16.2243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4306 -16.8894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8861 -18.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2788 -18.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2788 -16.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5823 -14.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2502 -18.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 9 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 20 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 1 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 6 0 0 0 34 36 1 0 0 0 0 34 18 1 1 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 1 0 0 0 37 38 1 0 0 0 0 37 42 1 1 0 0 0 38 41 1 6 0 0 0 39 43 1 0 0 0 0 M END $$$$ 145012_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 12.1367 -4.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 -5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 -5.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7079 -4.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7079 -6.3295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9934 -5.0920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9934 -5.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1367 -6.3295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 -7.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 -6.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 -4.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5644 -5.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1367 -7.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8512 -7.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 -7.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5645 -6.7420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5645 -7.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8500 -6.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -7.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1356 -6.7420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1356 -7.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2790 -7.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 -8.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -7.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -6.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1354 -9.2170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1354 -10.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4210 -8.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -10.4545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7066 -9.2170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7066 -10.0420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8499 -10.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -11.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -10.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -8.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 -9.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 6 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 23 1 6 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 M END $$$$ 145013_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 -0.2387 0.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4757 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4757 -0.4807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1902 -0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 -0.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2387 -1.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9532 -0.4807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6677 -0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9532 0.3443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6677 0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 0.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 0.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 0.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 0.7568 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 -0.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 1 0 0 0 0 2 12 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 12 15 1 0 0 0 0 15 13 2 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 145015_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 10.1126 -4.4044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3982 -4.8169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6838 -4.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3982 -5.6419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6838 -6.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8271 -5.6419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5415 -6.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1126 -6.0544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1126 -6.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8271 -4.8169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5415 -4.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1126 -3.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 -4.8169 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 -4.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 -5.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 -4.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 3 1 1 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 5 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 6 0 0 0 10 11 1 6 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 M END $$$$ 145662_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3437 1.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 0.8188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0582 -0.0063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7727 -0.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 -0.0063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0852 -0.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 -0.4188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3437 -1.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 0.8188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7727 1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0852 1.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 1 0 0 0 0 2 12 1 6 0 0 0 3 7 1 0 0 0 0 3 4 1 6 0 0 0 5 2 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 3 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 145663_p OpenBabel02171217032D 89 92 0 0 0 0 0 0 0 0999 V2000 10.4229 -1.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 -1.3469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0213 -0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 -2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 -1.3469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0213 -2.5562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3067 -2.1438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0213 -3.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -0.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5922 -0.0826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3342 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 1.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -1.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 -1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -2.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -3.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 -3.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1207 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9452 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 -3.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2537 -3.4632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5667 -3.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2537 -4.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 -3.4632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5667 -4.6724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8520 -4.2601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5667 -5.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -3.0235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1375 -2.1990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8796 -1.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8796 -0.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -3.8754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3955 -3.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -4.6724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -5.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3955 -5.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 -5.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6660 -2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4906 -2.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2537 -2.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5137 -5.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7991 -5.5794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1121 -5.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7991 -6.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3975 -5.5794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1121 -6.7887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3975 -6.3764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1121 -7.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6829 -5.1396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6829 -4.3153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4250 -3.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4250 -3.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6829 -5.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9408 -5.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6829 -6.7887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6829 -7.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9408 -8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3975 -8.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2115 -4.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0360 -4.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7991 -4.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0590 -8.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3445 -7.6957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6574 -7.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3445 -8.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9428 -7.6957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6574 -8.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9428 -8.4926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6574 -9.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2283 -7.2560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2283 -6.4314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9703 -5.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9703 -5.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2283 -8.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4863 -7.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2283 -8.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2283 -9.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4863 -10.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9428 -10.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7568 -6.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5813 -6.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3445 -6.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 -4.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3955 -6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9408 -8.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4863 -10.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 1 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 6 0 0 0 6 7 1 0 0 0 0 7 16 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 11 12 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 86 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 1 0 0 0 24 23 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 35 1 1 0 0 0 28 30 1 6 0 0 0 28 29 1 0 0 0 0 29 37 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 6 0 0 0 32 33 1 0 0 0 0 32 1 1 6 0 0 0 33 34 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39 87 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 62 1 1 0 0 0 45 44 1 6 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 52 1 0 0 0 0 48 56 1 1 0 0 0 49 51 1 6 0 0 0 49 50 1 0 0 0 0 50 58 1 1 0 0 0 52 53 1 0 0 0 0 52 57 1 6 0 0 0 53 54 1 0 0 0 0 53 23 1 6 0 0 0 54 55 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 2 0 0 0 0 60 88 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 83 1 1 0 0 0 66 65 1 6 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 69 73 1 0 0 0 0 69 77 1 1 0 0 0 70 72 1 6 0 0 0 70 71 1 0 0 0 0 71 79 1 1 0 0 0 73 74 1 0 0 0 0 73 78 1 6 0 0 0 74 75 1 0 0 0 0 74 44 1 6 0 0 0 75 76 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 81 89 1 0 0 0 0 83 84 2 0 0 0 0 83 85 1 0 0 0 0 M END $$$$ 145664_p OpenBabel02171217032D 111115 0 0 0 0 0 0 0 0999 V2000 10.4229 -1.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 -1.3469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0213 -0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 -2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 -1.3469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0213 -2.5562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3067 -2.1438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0213 -3.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -0.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5922 -0.0826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3342 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 1.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -1.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 -1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -2.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -3.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 -3.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1207 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9452 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 -3.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2537 -3.4632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5667 -3.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2537 -4.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 -3.4632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5667 -4.6724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8520 -4.2601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5667 -5.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -3.0235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1375 -2.1990 0.0000 C 0 0 1 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0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2283 -6.4314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9703 -5.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9703 -5.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2283 -8.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4863 -7.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2283 -8.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2283 -9.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4863 -10.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9428 -10.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7568 -6.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5813 -6.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3445 -6.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8365 -4.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -6.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 -8.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4726 -10.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6043 -10.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8898 -9.8120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2027 -9.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8898 -10.6088 0.0000 C 0 0 0 0 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-11.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4252 -12.2300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7106 -11.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7106 -12.6425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9962 -11.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 -12.2300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1396 -12.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7106 -13.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2817 -12.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 M END $$$$ 145669_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 7.5941 -7.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 -7.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3086 -7.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3086 -8.2442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5941 -8.6567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8796 -8.2442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0230 -7.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0230 -8.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5941 -9.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1652 -8.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 -7.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -4.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -5.7692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0230 -4.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0230 -6.1817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3085 -4.9442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3085 -5.7692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4520 -4.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 -6.1818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5940 -6.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5940 -4.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 -4.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1664 -5.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1665 -4.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8809 -6.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 6 0 0 0 3 1 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 9 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 23 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 M END $$$$ 145670_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 10.6919 -4.6519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9774 -5.0644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6919 -3.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -4.6519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9774 -3.4145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2630 -3.8270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9775 -5.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 -5.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5485 -3.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9774 -2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -2.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8342 -4.6520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1197 -5.0646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8341 -3.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 -4.6519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1197 -3.4146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4052 -3.8271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1198 -5.8894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6908 -5.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6908 -3.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1197 -2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4051 -2.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2631 -7.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2631 -7.9519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9776 -6.7144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6920 -7.1268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6920 -7.9519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9776 -8.3645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4066 -6.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4066 -8.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9778 -9.1894 0.0000 O 0 0 0 0 0 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O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 0.4126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4288 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 1 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 1 0 0 0 2 3 1 0 0 0 0 3 19 1 1 0 0 0 3 4 1 0 0 0 0 4 7 1 6 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 6 0 0 0 13 15 1 0 0 0 0 17 5 1 0 0 0 0 17 6 1 0 0 0 0 17 18 1 0 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 M END $$$$ 146102_p OpenBabel02171217032D 24 24 0 0 0 0 0 0 0 0999 V2000 8.9473 -5.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6564 -4.9575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3764 -5.3670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0856 -4.9455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8054 -5.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6564 -4.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 -6.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0856 -4.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5145 -4.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2274 -5.3487 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.5861 -5.3431 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 13.1824 -4.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2339 -6.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2284 -4.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 -4.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4238 -5.3185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1688 -6.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3439 -6.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0889 -5.3185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3043 -5.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6538 -6.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8589 -6.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6911 -5.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7535 -6.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 1 1 0 0 0 0 2 6 1 6 0 0 0 3 2 1 0 0 0 0 3 7 1 1 0 0 0 4 3 1 0 0 0 0 4 8 1 6 0 0 0 5 4 1 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 16 15 1 0 0 0 0 16 14 1 1 0 0 0 16 17 1 0 0 0 0 17 21 1 6 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 18 19 1 0 0 0 0 19 15 1 0 0 0 0 19 20 1 1 0 0 0 22 24 1 0 0 0 0 23 20 1 0 0 0 0 A 11 H M END $$$$ 146103_p OpenBabel02171217032D 67 69 0 0 0 0 0 0 0 0999 V2000 8.7141 -7.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4233 -7.4061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1432 -7.8156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8525 -7.3941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5722 -7.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4233 -6.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1432 -8.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8525 -6.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2813 -7.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 -7.7973 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.0982 -7.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0007 -8.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9953 -7.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 -7.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1908 -7.7671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9359 -8.5518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1110 -8.5518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8560 -7.7671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0715 -7.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4207 -9.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -9.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -8.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7086 -7.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 -10.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 -9.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6213 -10.0157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3306 -9.5942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0503 -10.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 -8.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6213 -10.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -8.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -9.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4722 -9.9974 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4787 -10.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4734 -9.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -9.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 -9.9672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5860 -10.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4109 -10.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6659 -9.9672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4505 -9.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1012 -11.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 -11.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -10.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1867 -9.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1864 -5.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8955 -5.2061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6155 -5.6156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3248 -5.1941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0445 -5.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8955 -4.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6155 -6.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3248 -4.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7536 -5.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4664 -5.5973 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.5705 -4.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4729 -6.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4675 -5.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9957 -5.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6630 -5.5671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4081 -6.3517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5832 -6.3517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3282 -5.5671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5437 -5.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8930 -7.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9305 -5.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1808 -5.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 1 1 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0 0 0 13.7879 -2.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 -3.6976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3589 -4.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 -3.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 -2.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 -4.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2155 -4.9351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5010 -3.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -5.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7866 -4.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7866 -4.9351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9299 -5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -6.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -3.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 -4.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 -4.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5023 -4.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -4.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 20 35 1 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 22 1 1 0 0 0 26 28 1 0 0 0 0 26 31 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 12 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 146106_p OpenBabel02171217032D 139148 0 0 0 0 0 0 0 0999 V2000 16.4170 -4.4618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4168 -3.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7025 -3.2239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9884 -3.6361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9885 -4.4612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7029 -4.8740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7160 -2.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2777 -3.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5605 -6.5249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2744 -5.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8461 -6.1120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5607 -7.3499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5600 -4.8747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8459 -5.2869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1795 -6.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8703 -7.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5360 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8704 -8.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1560 -7.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8116 -3.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7884 -2.8494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0745 -2.4368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5029 -2.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0751 -1.6117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3600 -2.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5036 -1.6119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7896 -1.1992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4087 -1.2267 0.0000 O 0 0 0 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5249 -5.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0986 -5.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6698 -7.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9553 -7.6295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3843 -7.6295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3843 -8.4544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6698 -8.8669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9553 -8.4544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0986 -7.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0986 -8.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6698 -9.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2410 -8.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2408 -7.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 -5.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2419 -5.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8129 -5.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8129 -6.8045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5273 -7.2170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2419 -6.8045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5273 -8.0420 0.0000 O 0 0 0 0 0 0 0 0 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57 1 1 0 0 0 53 54 1 0 0 0 0 54 58 1 6 0 0 0 54 55 1 0 0 0 0 55 51 1 0 0 0 0 55 59 1 6 0 0 0 62 61 1 0 0 0 0 62 69 1 1 0 0 0 63 61 1 0 0 0 0 63 49 1 6 0 0 0 63 64 1 0 0 0 0 64 56 1 6 0 0 0 64 65 1 0 0 0 0 65 67 1 1 0 0 0 65 66 1 0 0 0 0 66 62 1 0 0 0 0 66 68 1 1 0 0 0 M END $$$$ 146668_p OpenBabel02171217032D 33 35 0 0 0 0 0 0 0 0999 V2000 12.5843 -5.0523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5843 -5.8773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8698 -4.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8698 -6.2898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1553 -5.0523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1553 -5.8773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2987 -4.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2987 -6.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8697 -7.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4409 -6.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4409 -4.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4422 -3.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4422 -4.2273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7277 -2.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7277 -4.6398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0132 -3.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0132 -4.2273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1567 -2.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1567 -4.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7277 -5.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2987 -2.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5843 -3.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3002 -1.7523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3002 -2.5773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5856 -1.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5856 -2.9898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8712 -1.7523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8712 -2.5773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0146 -1.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0146 -2.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5856 -3.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1567 -1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4422 -1.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 7 1 6 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 18 1 1 0 0 0 33 32 1 0 0 0 0 M END $$$$ 146669_p OpenBabel02171217032D 52 55 0 0 0 0 0 0 0 0999 V2000 7.9719 -6.2316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2575 -6.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9719 -5.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -6.2315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2575 -4.9940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -5.4065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2575 -7.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 -6.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 -4.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 -4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -3.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6864 -6.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6876 -3.7566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6876 -4.5816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9731 -3.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9731 -4.9941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2586 -3.7566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2586 -4.5816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4021 -3.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4021 -4.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9731 -5.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5443 -4.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5443 -3.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8297 -5.4066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8297 -6.2316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1153 -4.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1153 -6.6441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4009 -5.4066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4009 -6.2316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5443 -6.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1153 -7.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6864 -4.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6864 -4.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5443 -7.4690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2586 -7.8816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8297 -7.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2586 -8.7066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8297 -8.7066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5443 -9.1190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9732 -7.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9731 -9.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1154 -9.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5443 -9.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4008 -7.8816 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.6864 -8.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9883 -7.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8133 -8.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6864 -9.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9719 -9.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 -9.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4008 -9.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4008 -10.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 6 0 0 0 17 18 1 0 0 0 0 17 23 1 6 0 0 0 18 22 1 1 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 22 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 32 1 1 0 0 0 29 12 1 1 0 0 0 31 44 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 30 1 1 0 0 0 35 37 1 0 0 0 0 35 40 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 6 0 0 0 38 39 1 0 0 0 0 38 42 1 6 0 0 0 39 43 1 1 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M END $$$$ 146670_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 12.4946 -4.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7801 -5.3717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4946 -4.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0658 -4.9592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7802 -3.7217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0658 -4.1342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7801 -6.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3512 -5.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3512 -3.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7802 -2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0658 -2.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 -5.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0669 -3.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3525 -4.1343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3525 -4.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6380 -3.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 -5.3718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9236 -4.1343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9236 -4.9593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0669 -5.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 -6.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 -3.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 -2.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0669 -6.1968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7814 -6.6093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3525 -6.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7814 -7.4343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3525 -7.4343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0669 -7.8467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4960 -6.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4958 -7.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6381 -7.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0669 -8.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 -4.9592 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 -5.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 -4.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 -5.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 8 34 1 0 0 0 0 11 10 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 13 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 1 0 0 0 19 12 1 1 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 6 0 0 0 28 29 1 0 0 0 0 28 32 1 6 0 0 0 29 33 1 1 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 M END $$$$ 146671_p OpenBabel02171217032D 32 34 0 0 0 0 0 0 0 0999 V2000 13.2091 -5.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0669 -3.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3524 -4.1343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3524 -4.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6379 -3.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6379 -5.3718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9235 -4.1343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9235 -4.9593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0967 -6.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6379 -6.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 -3.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 -2.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9246 -2.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2102 -2.4843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2102 -3.3091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4957 -2.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4957 -3.7217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7813 -2.4843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7813 -3.3093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9247 -3.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4957 -4.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0669 -2.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4301 -7.1336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4301 -7.9585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7156 -6.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 -8.3710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0012 -7.1336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0012 -7.9587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1445 -8.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7156 -9.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2867 -6.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2868 -8.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 2 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 8 1 1 1 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 13 1 6 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 6 0 0 0 18 19 1 0 0 0 0 18 22 1 6 0 0 0 19 2 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 9 1 1 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 6 0 0 0 27 28 1 0 0 0 0 27 31 1 6 0 0 0 28 32 1 1 0 0 0 M END $$$$ 146672_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 6.3050 -5.4702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5905 -5.8826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3050 -4.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 -5.4701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5906 -4.2326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8762 -4.6451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5905 -6.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 -5.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 -4.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5906 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 -2.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0195 -5.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8773 -4.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 -4.6452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1629 -5.4702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4484 -4.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 -5.8827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7340 -4.6452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7340 -5.4702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8773 -5.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 -6.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0195 -4.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0195 -3.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8773 -6.7077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5918 -7.1202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1629 -7.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 -7.9452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1629 -7.9452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8773 -8.3576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3064 -6.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3062 -8.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4485 -8.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8773 -9.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 -5.4701 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 -5.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 -4.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 -6.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7354 -2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 -2.9951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0209 -3.8200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3063 -2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -4.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5919 -2.9951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5919 -3.8202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7355 -4.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -5.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8773 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 8 34 1 0 0 0 0 11 10 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 13 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 1 0 0 0 19 12 1 1 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 1 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 6 0 0 0 28 29 1 0 0 0 0 28 32 1 6 0 0 0 29 33 1 1 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 38 1 6 0 0 0 40 42 1 0 0 0 0 40 45 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 46 1 6 0 0 0 43 44 1 0 0 0 0 43 47 1 6 0 0 0 44 13 1 1 0 0 0 M END $$$$ 146673_p OpenBabel02171217032D 39 41 0 0 0 0 0 0 0 0999 V2000 18.8255 -17.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8255 -18.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6736 -16.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6736 -19.2850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5218 -17.2900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5218 -18.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9773 -16.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9773 -19.2850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6735 -20.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3700 -19.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3700 -16.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1384 -18.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2878 -19.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1432 -17.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3671 -15.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2182 -18.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0663 -19.2849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2182 -17.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9145 -18.6198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0664 -16.6249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9146 -17.2899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0663 -20.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7627 -19.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7628 -16.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0664 -15.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9146 -14.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9099 -21.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9146 -22.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7558 -20.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8253 -21.2800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8253 -22.6100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9772 -20.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9772 -23.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1290 -21.2800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1290 -22.6100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6735 -23.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9773 -24.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2808 -23.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2808 -20.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 22 27 1 0 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 9 1 6 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 1 0 0 0 M END $$$$ 146674_p OpenBabel02171217032D 67 72 0 0 0 0 0 0 0 0999 V2000 13.9784 -10.9257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9784 -11.7507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2639 -10.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2639 -12.1632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5494 -10.9257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5494 -11.7507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6133 -9.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6929 -12.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2638 -12.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 -12.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 -10.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1205 -10.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9753 -7.9745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9753 -8.7995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2608 -7.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2608 -9.2120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5463 -7.9745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5463 -8.7995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7403 -6.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2607 -10.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8319 -9.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8319 -7.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1174 -7.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4293 -2.4312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4293 -3.2562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7148 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7148 -3.6687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0003 -2.4312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0003 -3.2562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0990 -1.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1438 -3.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7148 -4.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 -3.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 -2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5714 -2.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0003 -4.9062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0003 -5.7312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2858 -4.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2858 -6.1437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5714 -4.9062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5714 -5.7312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2858 -6.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 -6.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 -4.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1424 -4.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3846 0.5589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3846 -0.2661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6701 0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6701 -0.6786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9556 0.5589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9556 -0.2661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1092 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6700 -1.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2412 -0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2412 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5266 0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3948 3.6476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3948 2.8226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6802 4.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6802 2.4101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9658 3.6476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9658 2.8226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1092 4.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6802 1.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2513 2.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2513 4.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 3.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 7 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 25 31 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 34 1 1 0 0 0 29 33 1 6 0 0 0 35 34 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 32 1 6 0 0 0 37 39 1 0 0 0 0 37 19 1 1 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 1 0 0 0 40 41 1 0 0 0 0 40 44 1 1 0 0 0 41 43 1 6 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 6 0 0 0 47 49 1 0 0 0 0 47 30 1 1 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 55 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 63 1 6 0 0 0 58 60 1 0 0 0 0 58 52 1 1 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 60 64 1 1 0 0 0 61 62 1 0 0 0 0 61 66 1 1 0 0 0 62 65 1 6 0 0 0 67 66 1 0 0 0 0 M END $$$$ 146675_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 11.8177 -7.0096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8177 -7.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1031 -6.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1031 -8.2471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3885 -7.0096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3885 -7.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5321 -6.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5321 -8.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1031 -9.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 -8.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 -6.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2466 -7.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9565 -7.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5276 -7.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9565 -7.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5276 -7.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9411 -8.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7323 -7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2466 -4.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2466 -5.3596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5321 -4.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5321 -5.7721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8177 -4.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8177 -5.3596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9610 -4.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9610 -5.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1032 -5.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1032 -4.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -8.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 1 0 0 0 20 22 1 0 0 0 0 20 26 1 6 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 7 1 6 0 0 0 23 24 1 0 0 0 0 23 28 1 6 0 0 0 24 27 1 1 0 0 0 29 14 1 0 0 0 0 M END $$$$ 146676_p OpenBabel02171217032D 19 19 0 0 0 0 0 0 0 0999 V2000 11.8177 -7.0096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8177 -7.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1031 -6.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1031 -8.2471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3885 -7.0096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3885 -7.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5321 -6.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5321 -8.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1031 -9.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 -8.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 -6.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2466 -7.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9565 -7.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5276 -7.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9565 -7.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5276 -7.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9411 -8.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7323 -7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -8.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 19 14 1 0 0 0 0 M END $$$$ 146694_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 13.8556 -2.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 -2.8972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1413 -3.7222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4268 -2.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4268 -4.1347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7123 -2.8972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7123 -3.7222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8556 -4.1347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4267 -4.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9979 -4.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9979 -2.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2833 -2.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5701 -5.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2834 -4.5472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2834 -5.3722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5689 -4.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5689 -5.7849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8545 -4.5472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8545 -5.3722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9979 -5.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5688 -6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -5.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -4.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -4.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8543 -7.0222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8543 -7.8472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1399 -6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -8.2597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4255 -7.0222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4255 -7.8472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5688 -8.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -9.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -8.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9965 -7.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 23 1 6 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 M END $$$$ 147450_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 10.3161 -7.2697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3161 -8.0948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0288 -8.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7413 -8.0948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7413 -7.2697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0288 -6.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4535 -6.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 -8.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0288 -9.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6016 -8.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -6.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5974 -6.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7450 -4.8008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7450 -5.6258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4535 -6.0322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1662 -5.6258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1662 -4.8008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4535 -4.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8824 -4.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0288 -4.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -3.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8806 -6.0373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0306 -6.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8794 -6.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5940 -7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1638 -7.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 1 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 1 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END $$$$ 147451_p OpenBabel02171217032D 58 61 0 0 0 0 0 0 0 0999 V2000 12.4074 -10.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2175 -10.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0662 -10.8124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2175 -8.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9147 -10.1467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0662 -12.1424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0660 -8.1524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9147 -8.8166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8400 -10.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9531 -12.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 -6.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7632 -8.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 -12.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9531 -14.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -6.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 -10.1010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6885 -8.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -8.1051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3855 -8.7695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3857 -10.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5371 -10.7654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5592 -6.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -8.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 -10.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 -12.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 -6.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6236 -13.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4837 -14.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7636 -14.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6873 -12.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4611 -15.3419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7636 -15.3796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6871 -11.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6011 -16.0257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8276 -16.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2691 -14.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1137 -15.3461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9059 -14.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7120 -15.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2937 -13.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0671 -16.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5784 -17.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -18.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9038 -17.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6958 -19.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8482 -13.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6230 -12.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9272 -8.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7752 -8.7534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6230 -8.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4709 -8.7534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4709 -10.0828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6230 -10.7473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7752 -10.0828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3632 -8.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9272 -10.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3636 -6.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3065 -15.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 7 8 1 0 0 0 0 8 12 1 1 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 16 9 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 24 1 1 0 0 0 21 25 1 6 0 0 0 22 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 1 0 0 0 27 47 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 46 1 0 0 0 0 31 34 1 0 0 0 0 31 36 1 0 0 0 0 31 58 1 1 0 0 0 32 35 1 6 0 0 0 32 34 1 0 0 0 0 34 42 1 1 0 0 0 36 37 1 0 0 0 0 36 40 1 1 0 0 0 37 38 1 0 0 0 0 37 41 1 6 0 0 0 38 39 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 49 48 1 1 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 55 1 1 0 0 0 52 53 1 0 0 0 0 52 1 1 1 0 0 0 53 54 1 0 0 0 0 53 47 1 1 0 0 0 54 56 1 6 0 0 0 55 57 1 0 0 0 0 M END $$$$ 147452_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 3.8484 -6.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2751 -5.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5636 -6.3599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8961 -5.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 -7.1446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7212 -7.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 -7.1446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0711 -7.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -5.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 -5.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4318 -6.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2286 -6.3599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2286 -5.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 -5.5776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3227 -5.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 -6.3622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1479 -7.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9102 -6.3622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4977 -7.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6449 -4.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -4.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8585 -5.3642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6552 -5.5776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6552 -4.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7749 -5.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 -5.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6326 -6.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9183 -4.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9181 -6.5604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2037 -5.3228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2037 -6.1478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3471 -6.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9180 -7.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 -6.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 -4.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3471 -4.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2049 -4.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2049 -5.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4904 -4.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4904 -6.1480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7761 -4.9105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7761 -5.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9194 -4.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9194 -6.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4904 -6.9729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0616 -6.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0616 -4.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 0 4 3 1 0 0 0 0 4 12 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 6 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 10 1 0 0 0 0 11 9 1 0 0 0 0 11 1 1 6 0 0 0 12 7 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 1 0 0 0 14 25 1 1 0 0 0 15 14 1 0 0 0 0 15 23 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 20 21 1 0 0 0 0 22 20 1 0 0 0 0 22 2 1 6 0 0 0 23 18 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 1 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 36 1 6 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 6 0 0 0 36 47 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 1 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 1 0 0 0 41 42 1 0 0 0 0 41 47 1 1 0 0 0 42 46 1 6 0 0 0 M END $$$$ 147453_p OpenBabel02171217032D 60 64 0 0 0 0 0 0 0 0999 V2000 14.3471 -4.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2049 -4.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2049 -5.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4904 -4.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4904 -6.1480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7761 -4.9105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7761 -5.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9194 -4.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9194 -6.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4904 -6.9729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0616 -6.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0616 -4.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4939 -6.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7824 -6.8876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1149 -6.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5274 -7.6722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9400 -8.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7024 -7.6722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2899 -8.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 -5.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -5.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 -6.6741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0672 -7.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4474 -6.8876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4474 -6.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 -7.6699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6882 -7.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 -8.4545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5133 -9.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 -8.4545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8632 -9.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -6.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -6.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 -7.4564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6405 -8.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 -7.6699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0207 -6.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9205 -5.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2090 -6.1053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5415 -5.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9540 -6.8899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3667 -7.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1290 -6.8899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7165 -7.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 -5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0668 -4.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 -5.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8740 -6.1053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8740 -5.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6357 -5.3230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9681 -4.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3806 -6.1076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7933 -6.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5556 -6.1076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1431 -6.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2903 -4.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4934 -4.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5039 -5.1095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3006 -5.3230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3006 -4.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 7 1 0 0 0 0 6 12 1 1 0 0 0 7 11 1 6 0 0 0 14 13 1 1 0 0 0 15 14 1 0 0 0 0 15 24 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 20 21 1 0 0 0 0 22 20 1 0 0 0 0 22 23 1 6 0 0 0 24 18 1 0 0 0 0 24 22 1 0 0 0 0 24 25 1 1 0 0 0 26 23 1 1 0 0 0 27 26 1 0 0 0 0 27 36 1 0 0 0 0 28 26 1 0 0 0 0 28 29 1 6 0 0 0 30 28 1 0 0 0 0 30 31 1 1 0 0 0 32 33 1 0 0 0 0 34 32 1 0 0 0 0 34 35 1 6 0 0 0 36 30 1 0 0 0 0 36 34 1 0 0 0 0 36 37 1 1 0 0 0 39 38 1 1 0 0 0 40 39 1 0 0 0 0 40 48 1 0 0 0 0 41 39 1 0 0 0 0 41 42 1 6 0 0 0 43 41 1 0 0 0 0 43 44 1 1 0 0 0 45 46 1 0 0 0 0 47 45 1 0 0 0 0 47 13 1 6 0 0 0 48 43 1 0 0 0 0 48 47 1 0 0 0 0 48 49 1 1 0 0 0 50 1 1 1 0 0 0 51 50 1 0 0 0 0 51 59 1 0 0 0 0 52 50 1 0 0 0 0 52 53 1 6 0 0 0 54 52 1 0 0 0 0 54 55 1 1 0 0 0 56 57 1 0 0 0 0 58 56 1 0 0 0 0 58 38 1 6 0 0 0 59 54 1 0 0 0 0 59 58 1 0 0 0 0 59 60 1 1 0 0 0 M END $$$$ 147454_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 8.5411 -5.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2563 -4.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5887 -4.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0012 -5.5320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4139 -6.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1762 -5.5320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7637 -6.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9109 -3.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 -3.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1245 -4.5340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9212 -4.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9212 -3.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0409 -4.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8986 -4.4927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8986 -5.3177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1843 -4.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1841 -5.7302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4697 -4.4926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4697 -5.3176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6131 -5.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1840 -6.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7553 -5.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7553 -4.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6131 -4.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4709 -4.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4709 -4.9053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7564 -3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7564 -5.3178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0421 -4.0803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0421 -4.9053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1854 -3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1854 -5.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7564 -6.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3276 -5.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3276 -3.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 1 0 0 0 3 2 1 0 0 0 0 3 11 1 0 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 9 1 0 0 0 0 10 8 1 0 0 0 0 10 1 1 6 0 0 0 11 6 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 1 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 6 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 1 0 0 0 18 19 1 0 0 0 0 18 23 1 1 0 0 0 19 22 1 6 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 1 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 1 0 0 0 29 30 1 0 0 0 0 29 35 1 1 0 0 0 30 34 1 6 0 0 0 M END $$$$ 147455_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 13.9836 -7.2462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9836 -8.0712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2691 -6.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2691 -8.4837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5546 -7.2462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5546 -8.0712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6981 -6.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6981 -8.4837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2690 -9.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8402 -8.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8402 -6.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1257 -7.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1257 -8.8962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1257 -9.7212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4112 -8.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4112 -10.1337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6967 -8.8962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6967 -9.7212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8402 -10.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4111 -10.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 -10.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 -8.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2678 -8.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2690 -10.1337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9835 -10.5462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5546 -10.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9835 -11.3713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5546 -11.3712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2690 -11.7837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6980 -10.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6980 -11.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2690 -12.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8400 -11.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6980 -9.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4125 -9.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9836 -9.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4126 -4.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4126 -5.5962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6981 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6981 -6.0087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9836 -4.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9836 -5.5962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1271 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1271 -6.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2692 -6.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2692 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-2.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6385 -2.9162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6385 -3.7412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3530 -4.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9241 -4.1537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9241 -4.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -3.7412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4952 -4.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -2.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -2.9162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7807 -2.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 -2.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -2.5036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4952 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -4.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -5.3912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2096 -6.2163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9240 -6.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 -6.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4950 -7.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7806 -6.2162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0662 -6.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7807 -4.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7807 -5.3912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3517 -5.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 -4.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 -4.9787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0663 -4.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2094 -7.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9239 -7.4538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6383 -7.8663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3527 -7.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6383 -8.6913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3529 -9.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9238 -9.1038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9237 -9.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 -8.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2094 -8.6913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4948 -9.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7803 -10.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4949 -9.1037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7804 -8.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0673 -7.8664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7817 -7.4539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0673 -8.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4962 -7.8665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7817 -9.1039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4962 -8.6914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7817 -6.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2107 -7.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2106 -9.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7817 -9.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4962 -10.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4965 -2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 -2.5036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7820 -3.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 -2.0911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7820 -0.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3530 -0.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3530 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6387 -1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9242 -0.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 -1.2662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0676 -0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2109 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2109 -0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9254 -1.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4965 -1.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4965 -0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 3 1 1 6 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 6 0 0 0 11 8 1 0 0 0 0 11 10 1 6 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 14 15 1 6 0 0 0 16 25 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 6 0 0 0 18 17 1 0 0 0 0 18 19 1 1 0 0 0 20 18 1 0 0 0 0 20 21 1 1 0 0 0 22 20 1 0 0 0 0 22 23 1 6 0 0 0 25 22 1 0 0 0 0 25 24 1 6 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 28 26 1 0 0 0 0 28 29 1 6 0 0 0 30 39 1 0 0 0 0 30 31 1 0 0 0 0 31 19 1 6 0 0 0 32 31 1 0 0 0 0 32 33 1 1 0 0 0 34 32 1 0 0 0 0 34 35 1 1 0 0 0 36 34 1 0 0 0 0 36 37 1 6 0 0 0 39 36 1 0 0 0 0 39 38 1 6 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 42 40 1 0 0 0 0 42 43 1 6 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 33 1 1 0 0 0 45 47 1 0 0 0 0 45 50 1 6 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 1 0 0 0 48 49 1 0 0 0 0 48 53 1 1 0 0 0 49 52 1 1 0 0 0 54 53 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 1 0 0 0 56 58 1 0 0 0 0 58 1 1 1 0 0 0 58 64 1 0 0 0 0 60 61 1 1 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 64 59 1 0 0 0 0 64 60 1 0 0 0 0 64 65 1 6 0 0 0 67 66 2 0 0 0 0 67 68 1 0 0 0 0 69 55 1 0 0 0 0 69 59 1 0 0 0 0 69 67 1 0 0 0 0 69 70 1 6 0 0 0 M END $$$$ 148489_p OpenBabel02171217032D 97102 0 0 0 0 0 0 0 0999 V2000 23.1432 -8.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4559 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1432 -9.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7412 -8.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4559 -9.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7412 -9.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4559 -10.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7259 -7.6090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0155 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5980 -12.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5980 -10.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6009 -9.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6060 -6.4174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.9187 -6.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6060 -7.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2040 -6.4174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.9187 -7.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.2040 -7.2145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.9187 -8.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1887 -5.5808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4783 -5.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4761 -4.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7419 -3.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4895 -6.8298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9444 -5.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7366 -5.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4895 -7.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7518 -7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0233 -7.6368 0.0000 C 0 0 0 0 0 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0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.2381 -7.6334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.3815 -8.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9525 -8.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5236 -8.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5236 -6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8856 -10.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7871 -4.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 19 1 1 0 0 0 1 32 1 6 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 6 0 0 0 5 6 1 0 0 0 0 6 15 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 10 11 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 7 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 6 0 0 0 31 96 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 51 1 1 0 0 0 33 64 1 6 0 0 0 34 36 1 0 0 0 0 35 37 1 0 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148490_p OpenBabel02171217032D 97102 0 0 0 0 0 0 0 0999 V2000 23.1432 -8.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4559 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1432 -9.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7412 -8.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4559 -9.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7412 -9.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4559 -10.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7259 -7.6090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0155 -7.1905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0133 -6.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2791 -5.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0267 -8.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4816 -7.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2738 -7.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0267 -9.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2890 -9.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5605 -9.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2895 -8.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6674 -7.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1566 -5.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 10 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 6 0 0 0 12 14 1 0 0 0 0 12 17 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 1 0 0 0 16 19 1 6 0 0 0 21 20 1 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 10 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 M END $$$$ 148492_p OpenBabel02171217032D 43 46 0 0 0 0 0 0 0 0999 V2000 15.0145 -7.7270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7290 -8.1395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3000 -8.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7290 -8.9645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3000 -8.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0145 -9.3770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4435 -7.7270 0.0000 O 0 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0 0 0 0 0 0 0 0 10.8383 -4.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6962 -5.9342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4106 -5.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1251 -5.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4106 -4.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8383 -3.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6949 -4.6966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6949 -5.5216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1238 -5.5217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1238 -4.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4094 -5.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4094 -4.2841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4093 -6.7591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9804 -5.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 -4.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4094 -3.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -3.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5527 -7.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5526 -8.8216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2672 -7.5841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9816 -7.9966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9815 -8.8216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2671 -9.2341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6962 -7.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6961 -9.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2671 -10.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8381 -9.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6948 -7.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6946 -7.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9804 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 24 1 6 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 22 37 1 0 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 6 0 0 0 29 27 1 0 0 0 0 29 3 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 34 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 35 1 6 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 M END $$$$ 148494_p OpenBabel02171217032D 49 52 0 0 0 0 0 0 0 0999 V2000 12.0380 -8.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4504 -8.7522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4505 -7.3231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2754 -7.3231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6879 -8.0376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2754 -8.7521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6879 -6.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5129 -8.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6880 -9.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0379 -9.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0380 -6.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4657 -7.0213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1801 -7.4337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8946 -6.1963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1801 -5.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 -7.0212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4656 -6.1963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6091 -7.4337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1802 -8.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7513 -7.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 -5.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 -6.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 -8.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3235 -8.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8945 -8.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6091 -5.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0380 -5.7838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7524 -5.3713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3236 -5.3713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7524 -4.5463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3236 -4.5463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0380 -4.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4669 -4.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6091 -4.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4669 -5.7838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1814 -5.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8958 -5.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1814 -4.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6091 -3.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 -2.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1802 -1.6586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8946 -2.8963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1802 -3.3087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4657 -2.8961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4657 -2.0712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1801 -4.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 -3.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 -1.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1802 -0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 1 0 0 0 4 7 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 12 20 1 6 0 0 0 13 12 1 0 0 0 0 13 19 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 1 0 0 0 15 17 1 0 0 0 0 16 13 1 0 0 0 0 16 18 1 6 0 0 0 17 12 1 0 0 0 0 17 21 1 1 0 0 0 18 23 1 0 0 0 0 21 22 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 27 28 1 0 0 0 0 27 11 1 1 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 6 0 0 0 29 31 1 0 0 0 0 29 26 1 6 0 0 0 30 32 1 0 0 0 0 30 33 1 1 0 0 0 31 34 1 1 0 0 0 31 32 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 41 40 1 0 0 0 0 41 49 1 6 0 0 0 42 40 1 0 0 0 0 42 43 1 0 0 0 0 42 39 1 1 0 0 0 43 46 1 1 0 0 0 43 44 1 0 0 0 0 44 47 1 6 0 0 0 44 45 1 0 0 0 0 45 41 1 0 0 0 0 45 48 1 6 0 0 0 M END $$$$ 149135_p OpenBabel02171217032D 11 11 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 1 0 0 0 3 1 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 8 1 6 0 0 0 4 5 1 0 0 0 0 5 9 1 1 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 1 0 0 0 M END $$$$ 149136_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.2695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4125 -1.2695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6674 -0.4849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4521 -0.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 -0.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 3 8 1 6 0 0 0 4 3 1 0 0 0 0 4 9 1 6 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 10 6 1 0 0 0 0 M END $$$$ 149137_p OpenBabel02171217032D 49 52 0 0 0 0 0 0 0 0999 V2000 11.8973 -2.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1858 -3.2978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5183 -2.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9308 -4.0824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3434 -4.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1058 -4.0824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6933 -4.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8404 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0435 -2.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 -3.0843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4706 -3.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8508 -3.2978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8508 -2.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7591 -4.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0916 -3.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5041 -4.8647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9167 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 -4.8647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2666 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4137 -3.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -2.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -3.8666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0439 -4.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4241 -4.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4241 -3.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3240 -2.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6125 -2.5155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9450 -2.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3575 -3.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7701 -4.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5325 -3.3001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1200 -4.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2671 -1.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4702 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4807 -2.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2775 -2.5155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2775 -1.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7506 -1.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0392 -1.7332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3716 -1.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7841 -2.5178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1968 -3.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9591 -2.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5466 -3.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6938 -0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8969 -0.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9074 -1.5197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7041 -1.7332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7041 -0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 3 12 1 0 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 9 1 0 0 0 0 10 8 1 0 0 0 0 10 11 1 6 0 0 0 12 6 1 0 0 0 0 12 10 1 0 0 0 0 12 13 1 1 0 0 0 14 11 1 1 0 0 0 15 14 1 0 0 0 0 15 24 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 6 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 20 21 1 0 0 0 0 22 20 1 0 0 0 0 22 23 1 6 0 0 0 24 18 1 0 0 0 0 24 22 1 0 0 0 0 24 25 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 0 0 0 0 28 36 1 0 0 0 0 29 27 1 0 0 0 0 29 30 1 6 0 0 0 31 29 1 0 0 0 0 31 32 1 1 0 0 0 33 34 1 0 0 0 0 35 33 1 0 0 0 0 35 1 1 6 0 0 0 36 31 1 0 0 0 0 36 35 1 0 0 0 0 36 37 1 1 0 0 0 39 38 1 1 0 0 0 40 39 1 0 0 0 0 40 48 1 0 0 0 0 41 39 1 0 0 0 0 41 42 1 6 0 0 0 43 41 1 0 0 0 0 43 44 1 1 0 0 0 45 46 1 0 0 0 0 47 45 1 0 0 0 0 47 26 1 6 0 0 0 48 43 1 0 0 0 0 48 47 1 0 0 0 0 48 49 1 1 0 0 0 M END $$$$ 149138_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 8.1488 -8.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1488 -9.4925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4343 -8.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 -9.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7198 -8.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7198 -9.4925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8633 -8.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 -9.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 -10.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -9.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2909 -8.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0067 -7.0175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0067 -7.8425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2922 -6.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 -8.2550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5778 -7.0175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5778 -7.8425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7212 -6.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7212 -8.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 -9.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 -6.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1488 -7.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5791 -6.6050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5791 -7.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8646 -6.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8646 -7.8425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1501 -6.6050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1501 -7.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2936 -6.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2936 -7.8425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8646 -8.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4357 -7.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4357 -6.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2936 -8.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0080 -9.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5791 -9.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 6 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 34 1 1 0 0 0 29 33 1 6 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 M END $$$$ 149139_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 7.1250 -16.8579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1250 -17.6829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4105 -16.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4105 -18.0954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6961 -16.8579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6961 -17.6829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8395 -16.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8395 -18.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4105 -18.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 -18.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 -16.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 -16.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6974 -16.4453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6974 -17.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9829 -16.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -17.6828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2685 -16.4453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2685 -17.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4119 -16.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4119 -17.6829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -18.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5539 -17.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5539 -16.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 -13.9703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1264 -14.7953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4119 -13.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4119 -15.2078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6975 -13.9703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6975 -14.7953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8408 -13.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8408 -15.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -15.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -13.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 -13.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4119 -18.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1263 -18.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6974 -18.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 23 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 20 35 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 19 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 M END $$$$ 149140_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 10.7034 -26.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7034 -27.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9888 -26.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 -27.8264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2744 -26.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2744 -27.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4178 -26.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4178 -27.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 -28.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 -27.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 -26.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -26.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -28.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8454 -29.0639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1309 -27.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1309 -29.4764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4165 -28.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4165 -29.0639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5599 -29.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1309 -30.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -29.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -27.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -28.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2757 -26.1763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2757 -27.0013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5612 -25.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5612 -27.4138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8467 -26.1763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8467 -27.0013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9902 -25.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -27.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5612 -28.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 -27.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 -25.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7047 -23.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7047 -24.5263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9902 -23.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -24.9388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2757 -23.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2757 -24.5263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4192 -23.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4192 -24.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5613 -24.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5613 -23.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8468 -23.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -28.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7047 -28.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2757 -28.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 34 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 34 1 1 0 0 0 29 33 1 6 0 0 0 31 46 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 1 0 0 0 36 38 1 0 0 0 0 36 42 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 30 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 1 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 M END $$$$ 149141_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 6.0118 -7.1964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0118 -8.0214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2972 -6.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -8.4339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5828 -7.1964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5828 -8.0214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7262 -6.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 -8.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -9.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8683 -8.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8683 -6.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 -7.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5841 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0 0 0 0 0 11.7276 -5.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8697 -5.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8697 -3.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 -4.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8710 -2.6589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8710 -3.4839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1565 -2.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 -3.8964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4421 -2.6589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4421 -3.4839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5855 -2.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5855 -3.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 -4.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7276 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 -2.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 23 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 1 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 19 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 1 0 0 0 39 41 1 0 0 0 0 39 45 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 33 1 6 0 0 0 48 47 1 0 0 0 0 M END $$$$ 149142_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 10.8525 -19.5118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8525 -20.3368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1380 -19.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 -20.7493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4235 -19.5118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4235 -20.3368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5670 -19.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5670 -20.7493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1379 -21.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7091 -20.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7091 -19.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9945 -21.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9945 -21.9868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2801 -20.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2801 -22.3993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5656 -21.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5656 -21.9868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7091 -22.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -23.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8511 -22.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8511 -20.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1367 -21.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7090 -18.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2815 -17.0368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2815 -17.8618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5670 -16.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5670 -18.2743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8525 -17.0368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8525 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0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 35 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 10 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 7 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 23 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 6 0 0 0 47 48 1 0 0 0 0 M END $$$$ 149143_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 27.7103 -20.1876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7103 -21.0126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.9957 -19.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9957 -21.4251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.2813 -20.1876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.2813 -21.0126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4247 -19.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4247 -21.4252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9957 -22.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5668 -21.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5668 -19.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4247 -22.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1392 -22.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7103 -22.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8523 -21.8377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8523 -22.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1379 -21.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1379 -23.0752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4234 -21.8377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4234 -22.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.5668 -23.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1378 -23.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7090 -23.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7090 -21.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9944 -21.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5668 -18.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8523 -18.5376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1379 -18.9501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8523 -17.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4234 -18.5376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1379 -17.3001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4234 -17.7126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1378 -19.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7088 -18.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7088 -17.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1379 -16.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4234 -16.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9944 -16.8876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2799 -17.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9944 -16.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5653 -16.8874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2799 -15.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5653 -16.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2798 -18.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8508 -17.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8509 -15.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2799 -14.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5654 -14.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 10 1 1 0 0 0 16 18 1 0 0 0 0 16 21 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 1 0 0 0 25 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 26 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 6 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 35 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 1 0 0 0 48 47 1 0 0 0 0 M END $$$$ 149144_p OpenBabel02171217032D 48 51 0 0 0 0 0 0 0 0999 V2000 12.0154 -9.4030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0154 -10.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3009 -8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -10.6405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5864 -9.4030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5864 -10.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7299 -8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -10.6405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -11.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -10.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -8.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1575 -9.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -11.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4443 -11.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0153 -11.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1575 -11.0530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1575 -11.8780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4430 -10.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 -12.2905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7285 -11.0530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7285 -11.8780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8720 -12.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 -13.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0141 -12.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0141 -10.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2996 -11.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -6.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4444 -7.7530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7299 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -8.1655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0154 -6.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0154 -7.7530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1589 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1589 -8.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -8.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -6.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5865 -6.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3023 -5.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3023 -6.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5878 -4.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5878 -6.5155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8733 -5.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8733 -6.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0168 -4.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0168 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5878 -7.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1589 -4.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -5.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 1 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 7 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 1 0 0 0 39 41 1 0 0 0 0 39 45 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 33 1 6 0 0 0 48 47 1 0 0 0 0 M END $$$$ 149145_p OpenBabel02171217032D 59 63 0 0 0 0 0 0 0 0999 V2000 17.6612 -17.7624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6612 -18.5874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9467 -17.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9467 -18.9999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2322 -17.7624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2322 -18.5874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3757 -17.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3757 -18.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9466 -19.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5178 -18.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5178 -17.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8033 -17.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8033 -19.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8033 -20.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0888 -18.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0888 -20.6499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3743 -19.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3743 -20.2374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5178 -20.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0888 -21.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 -20.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 -18.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3743 -21.8874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3743 -22.7124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6598 -21.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 -23.1249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9453 -21.8874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9453 -22.7124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0888 -23.1249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6597 -23.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2309 -23.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2309 -21.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0887 -23.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8032 -24.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3742 -24.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 -18.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2309 -20.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 -23.5374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5164 -24.3624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8019 -23.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8019 -24.7749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0874 -23.5374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0874 -24.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2309 -24.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8019 -25.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3729 -24.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3729 -23.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6585 -23.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 -20.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8019 -20.6498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5164 -19.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -20.2373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8019 -18.9998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0875 -19.4123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8019 -21.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3729 -20.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 -18.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8019 -18.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -17.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 20 1 1 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 29 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 31 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 1 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 37 1 1 0 0 0 50 52 1 0 0 0 0 50 55 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 56 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 1 0 0 0 54 57 1 6 0 0 0 59 58 1 0 0 0 0 M END $$$$ 149146_p OpenBabel02171217032D 59 63 0 0 0 0 0 0 0 0999 V2000 33.4853 -18.1401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.4853 -18.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.7707 -17.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7707 -19.3776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.0563 -18.1401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.0563 -18.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.1997 -17.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1997 -19.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7707 -20.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3418 -19.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3418 -17.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6273 -18.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6273 -19.7901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6273 -20.6151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9128 -19.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9128 -21.0276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.1984 -19.7901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.1984 -20.6151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.3418 -21.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9128 -21.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4840 -21.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4840 -19.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1984 -22.2651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.1984 -23.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4838 -21.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4838 -23.5026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.7694 -22.2651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7694 -23.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9128 -23.5026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4838 -24.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0549 -23.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0549 -21.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9128 -24.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6273 -24.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1984 -24.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4839 -18.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3405 -22.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6260 -22.6776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.6260 -23.5026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9115 -22.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9115 -23.9151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1971 -22.6776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1971 -23.5026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.3405 -23.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9115 -24.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4825 -23.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4825 -22.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7681 -22.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0536 -23.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0536 -23.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3391 -22.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3391 -24.3276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6247 -23.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6247 -23.9151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7681 -24.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3391 -25.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9102 -24.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9102 -22.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1957 -23.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 20 1 1 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 29 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 6 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 48 1 1 0 0 0 50 52 1 0 0 0 0 50 55 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 56 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 1 0 0 0 54 57 1 1 0 0 0 59 58 1 0 0 0 0 M END $$$$ 149147_p OpenBabel02171217032D 59 63 0 0 0 0 0 0 0 0999 V2000 13.4482 -39.6388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4482 -40.4638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7337 -39.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7337 -40.8763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0193 -39.6388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0193 -40.4638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1626 -39.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1626 -40.8765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7337 -41.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -40.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -39.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1626 -41.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8771 -42.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4482 -42.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5902 -41.2890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5902 -42.1140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8758 -40.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8758 -42.5265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1613 -41.2890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1613 -42.1140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3047 -42.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 -43.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4469 -42.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4469 -40.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7324 -41.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -38.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5902 -37.9888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8758 -38.4013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5902 -37.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1613 -37.9888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8758 -36.7513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1613 -37.1638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8757 -39.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 -38.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 -36.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8758 -35.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1613 -35.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7324 -36.3388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0178 -36.7512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7324 -35.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3032 -36.3386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0178 -35.1012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3032 -35.5137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0177 -37.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 -36.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5888 -35.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0178 -34.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 -33.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8772 -37.1638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8772 -37.9888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1626 -36.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1626 -38.4013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4482 -37.1638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4482 -37.9888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5916 -36.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5916 -38.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7337 -38.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7337 -36.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0193 -37.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 10 1 1 0 0 0 16 18 1 0 0 0 0 16 21 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 1 0 0 0 25 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 26 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 6 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 35 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 1 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 1 0 0 0 50 52 1 0 0 0 0 50 56 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 7 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 1 0 0 0 54 57 1 1 0 0 0 59 58 1 0 0 0 0 M END $$$$ 149148_p OpenBabel02171217032D 73 78 0 0 0 0 0 0 0 0999 V2000 22.1157 -52.9680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1157 -53.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4011 -52.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4011 -54.2055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6867 -52.9680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6867 -53.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8301 -52.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8301 -54.2057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4011 -55.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9722 -54.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9722 -52.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8301 -55.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5446 -55.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1157 -55.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2577 -54.6182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2577 -55.4432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5433 -54.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5433 -55.8557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8288 -54.6182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8288 -55.4432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9722 -55.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5432 -56.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1144 -55.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1144 -54.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3998 -54.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9722 -51.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2577 -51.3180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5433 -51.7305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2577 -50.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8288 -51.3180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5433 -50.0805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8288 -50.4930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5432 -52.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1142 -51.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1142 -50.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5433 -49.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8288 -48.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3998 -49.6680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6853 -50.0805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3998 -48.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9707 -49.6679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6853 -48.4305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9707 -48.8430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6852 -50.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2562 -50.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2563 -48.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6853 -47.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9708 -47.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 -50.4929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5417 -51.3179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8272 -50.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8272 -51.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1128 -50.4929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1128 -51.3179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2562 -51.7304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8272 -52.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 -51.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 -50.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6838 -50.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2562 -52.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9706 -52.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 -52.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6838 -52.1429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6838 -52.9679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9693 -51.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9693 -53.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2549 -52.1429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2549 -52.9679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3983 -53.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9693 -54.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5404 -53.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5404 -51.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 -52.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 10 1 1 0 0 0 16 18 1 0 0 0 0 16 21 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 1 0 0 0 25 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 26 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 6 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 35 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 1 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 45 1 1 0 0 0 50 52 1 0 0 0 0 50 55 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 56 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 1 0 0 0 54 57 1 6 0 0 0 55 60 1 0 0 0 0 59 58 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 57 1 1 0 0 0 64 66 1 0 0 0 0 64 69 1 6 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 66 70 1 1 0 0 0 67 68 1 0 0 0 0 67 72 1 1 0 0 0 68 71 1 1 0 0 0 73 72 1 0 0 0 0 M END $$$$ 149149_p OpenBabel02171217032D 70 75 0 0 0 0 0 0 0 0999 V2000 18.8582 -5.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8582 -6.0433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1436 -4.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1436 -6.4558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4292 -5.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4292 -6.0433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5726 -4.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5726 -6.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1436 -7.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7148 -6.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7148 -4.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0003 -5.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0003 -6.8682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0003 -7.6932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2858 -6.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2858 -8.1057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5714 -6.8682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5714 -7.6932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7148 -8.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2858 -8.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8568 -8.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8568 -6.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5714 -9.3432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5714 -10.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8568 -8.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8568 -10.5807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1424 -9.3432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1424 -10.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2858 -10.5807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8568 -11.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4280 -10.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4280 -8.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2857 -11.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0002 -11.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5712 -11.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8568 -5.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4280 -8.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7135 -10.9931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7135 -11.8181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9990 -10.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9990 -12.2306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2846 -10.9931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2846 -11.8181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4280 -12.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9990 -13.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5700 -12.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5700 -10.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8557 -10.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7135 -7.6932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9990 -8.1056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7135 -6.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2846 -7.6931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9990 -6.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2846 -6.8682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9990 -8.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5700 -8.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5701 -6.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9990 -5.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2846 -5.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8557 -6.0431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1412 -6.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8557 -5.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4267 -6.0430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1412 -4.8056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4267 -5.2181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1411 -7.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 -6.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7123 -4.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1413 -3.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4268 -3.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 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C 0 0 1 0 0 0 0 0 0 0 0 0 21.2773 -27.1027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5627 -25.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5627 -27.5152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8483 -26.2777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8483 -27.1027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9917 -25.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9917 -27.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5627 -28.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1338 -27.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1338 -25.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9917 -28.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7061 -28.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2773 -28.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4193 -27.9279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4193 -28.7529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7050 -27.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7050 -29.1654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9904 -27.9279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9904 -28.7529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1338 -29.1654 0.0000 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C 0 0 2 0 0 0 0 0 0 0 0 0 14.8470 -21.7403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1324 -22.1528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8469 -24.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4179 -23.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4180 -21.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8470 -20.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1325 -20.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7034 -23.8026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7034 -24.6276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9890 -23.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9890 -25.0402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2746 -23.8026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2746 -24.6276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4179 -25.0402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9890 -25.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5601 -25.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5601 -23.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4179 -25.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1323 -26.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7034 -26.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8456 -25.4527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8456 -26.2776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1312 -25.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1312 -26.6901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4168 -25.4527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4168 -26.2776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5601 -26.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1312 -27.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 -26.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 -25.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9879 -25.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5601 -22.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8456 -22.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1312 -22.5651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8456 -21.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4166 -22.1526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1312 -20.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4167 -21.3276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1311 -23.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7022 -22.5650 0.0000 O 0 0 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1813 -49.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3234 -48.6823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.3234 -49.5073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6090 -48.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6090 -49.9198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.8945 -48.6823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8945 -49.5073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.0378 -49.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6088 -50.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1801 -49.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1801 -48.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4655 -48.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0378 -45.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3234 -45.3822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6090 -45.7947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.3234 -44.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8945 -45.3822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.6090 -44.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8945 -44.5572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6088 -46.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1799 -45.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1799 -44.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6090 -43.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8945 -42.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4655 -43.7322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7510 -44.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4655 -42.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0364 -43.7321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7510 -42.4947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0364 -42.9072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7509 -44.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3220 -44.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3220 -42.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7510 -41.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0366 -41.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6075 -44.5570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6075 -45.3820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8930 -44.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8930 -45.7945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1786 -44.5570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1786 -45.3820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3220 -45.7945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8930 -46.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4641 -45.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4641 -44.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3220 -46.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0363 -47.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6075 -47.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7496 -46.2071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7496 -47.0320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0351 -45.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0351 -47.4445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3207 -46.2071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3207 -47.0320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4641 -47.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0351 -48.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6063 -47.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6063 -45.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8919 -46.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4641 -43.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7496 -42.9071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0351 -43.3195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7496 -42.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3207 -42.9070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0352 -41.6695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3207 -42.0820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0351 -44.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6062 -43.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6062 -41.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0352 -40.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3207 -40.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8917 -41.2569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1773 -41.6694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8918 -40.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4628 -41.2568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1773 -40.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4628 -40.4319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1772 -42.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7483 -41.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7483 -40.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1773 -39.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4629 -38.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0339 -42.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0339 -42.9068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3193 -41.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3193 -43.3193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6049 -42.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6049 -42.9068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7483 -43.3195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3193 -44.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8905 -43.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8905 -41.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7483 -44.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4627 -44.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0339 -44.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1759 -43.7320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1759 -44.5570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4616 -43.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4616 -44.9695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7471 -43.7320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7471 -44.5570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8905 -44.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4615 -45.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0327 -44.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0327 -43.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3181 -43.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8905 -40.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1759 -40.4319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4616 -40.8443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1759 -39.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7471 -40.4319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4616 -39.1944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7471 -39.6069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4615 -41.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0325 -40.8443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0325 -39.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4616 -38.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7471 -37.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3181 -38.7819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6036 -39.1944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3181 -37.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8891 -38.7818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6036 -37.5444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8891 -37.9569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6035 -40.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1746 -39.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1746 -37.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6036 -36.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8891 -36.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 10 1 1 0 0 0 16 18 1 0 0 0 0 16 21 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 1 0 0 0 25 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 26 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 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0 0 88 92 1 1 0 0 0 89 90 1 0 0 0 0 89 94 1 1 0 0 0 90 93 1 1 0 0 0 95 94 1 0 0 0 0 96 97 1 0 0 0 0 96 98 1 0 0 0 0 96 92 1 1 0 0 0 97 99 1 0 0 0 0 97102 1 6 0 0 0 98100 1 0 0 0 0 99101 1 0 0 0 0 99103 1 1 0 0 0 100101 1 0 0 0 0 100105 1 1 0 0 0 101104 1 6 0 0 0 102106 1 0 0 0 0 105120 1 0 0 0 0 106107 1 0 0 0 0 106108 2 0 0 0 0 109110 1 0 0 0 0 109111 1 0 0 0 0 109104 1 1 0 0 0 110112 1 0 0 0 0 110115 1 6 0 0 0 111113 1 0 0 0 0 112114 1 0 0 0 0 112116 1 1 0 0 0 113114 1 0 0 0 0 113118 1 1 0 0 0 114117 1 1 0 0 0 119118 1 0 0 0 0 121122 1 0 0 0 0 121123 1 0 0 0 0 121120 1 1 0 0 0 122124 1 0 0 0 0 122127 1 6 0 0 0 123125 1 0 0 0 0 124126 1 0 0 0 0 124128 1 1 0 0 0 125126 1 0 0 0 0 125130 1 1 0 0 0 126129 1 6 0 0 0 131130 1 0 0 0 0 132133 1 0 0 0 0 132134 1 0 0 0 0 132129 1 1 0 0 0 133135 1 0 0 0 0 133138 1 6 0 0 0 134136 1 0 0 0 0 135137 1 0 0 0 0 135139 1 1 0 0 0 136137 1 0 0 0 0 136141 1 1 0 0 0 137140 1 1 0 0 0 142141 1 0 0 0 0 M END $$$$ 149152_p OpenBabel02171217032D 39 41 0 0 0 0 0 0 0 0999 V2000 17.5150 -15.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8005 -16.1049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5150 -14.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0861 -15.6923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8005 -14.4548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0861 -14.8673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2295 -16.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8005 -16.9299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3716 -16.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3716 -14.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8005 -13.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0861 -13.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3730 -14.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3730 -15.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6584 -14.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6584 -16.1049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9440 -14.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9440 -15.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0874 -14.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0874 -16.1049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6584 -16.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2295 -14.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2295 -13.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3753 -18.1592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3691 -18.9841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6584 -17.7441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9460 -18.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6567 -19.4003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9398 -18.9852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0814 -17.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0859 -19.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6505 -20.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2275 -19.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0861 -17.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0860 -18.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8019 -15.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5164 -16.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3716 -16.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8019 -14.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 8 34 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 6 0 0 0 20 36 1 0 0 0 0 22 23 1 0 0 0 0 24 30 1 1 0 0 0 25 24 1 0 0 0 0 25 31 1 6 0 0 0 26 24 1 0 0 0 0 26 21 1 1 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 28 32 1 6 0 0 0 29 27 1 0 0 0 0 29 28 1 0 0 0 0 29 33 1 6 0 0 0 34 35 1 0 0 0 0 34 38 2 0 0 0 0 36 37 1 0 0 0 0 36 39 2 0 0 0 0 M RAD 1 13 2 M END $$$$ 149154_p OpenBabel02171217032D 39 41 0 0 0 0 0 0 0 0999 V2000 13.2256 -6.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3690 -5.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3690 -5.9990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6546 -4.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6546 -6.4115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9400 -5.1740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9400 -5.9990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0834 -4.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0834 -6.4115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6546 -7.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2256 -4.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2256 -3.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7980 -5.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7980 -5.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5124 -6.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5111 -6.8240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5111 -7.6490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7967 -6.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7969 -8.0616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0823 -6.8241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0824 -7.6491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2257 -8.0614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7968 -8.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3677 -6.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2258 -8.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9403 -9.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5113 -9.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3677 -5.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3679 -8.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3679 -8.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6534 -9.2990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0825 -9.2991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0823 -10.1240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3679 -10.5365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6534 -10.1240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7969 -10.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3678 -11.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 -10.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 -8.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 1 1 6 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 1 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 24 1 1 0 0 0 21 29 1 1 0 0 0 22 25 1 0 0 0 0 24 28 1 0 0 0 0 26 25 1 0 0 0 0 27 25 2 0 0 0 0 31 30 1 0 0 0 0 31 39 1 6 0 0 0 32 30 1 0 0 0 0 32 23 1 1 0 0 0 32 33 1 0 0 0 0 33 36 1 1 0 0 0 33 34 1 0 0 0 0 34 37 1 6 0 0 0 34 35 1 0 0 0 0 35 31 1 0 0 0 0 35 38 1 6 0 0 0 M RAD 1 2 2 M END $$$$ 149156_p OpenBabel02171217032D 49 52 0 0 0 0 0 0 0 0999 V2000 12.0255 -9.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3110 -9.9439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0255 -8.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5966 -9.5316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3110 -8.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5966 -8.7066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3111 -10.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -9.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3110 -7.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -11.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -12.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8822 -10.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0254 -7.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -8.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -9.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8833 -8.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8833 -9.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1689 -8.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 -9.9439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4544 -8.7064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4544 -9.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5978 -8.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5978 -9.9439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 -10.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -7.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3123 -9.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3123 -8.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0268 -9.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 -8.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 -8.2940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1677 -9.5316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4532 -9.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7388 -9.5315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7388 -8.7065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4532 -10.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 -9.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0244 -8.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 -7.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4544 -12.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4543 -12.8313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1689 -11.5938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8833 -12.0063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8833 -12.8313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1687 -13.2439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5977 -11.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5977 -13.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1687 -14.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7398 -13.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 15 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 14 1 1 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 15 1 6 0 0 0 23 27 1 0 0 0 0 25 26 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 31 30 1 0 0 0 0 31 39 1 6 0 0 0 32 30 1 0 0 0 0 32 8 1 1 0 0 0 32 33 1 0 0 0 0 33 36 1 1 0 0 0 33 34 1 0 0 0 0 34 37 1 6 0 0 0 34 35 1 0 0 0 0 35 31 1 0 0 0 0 35 38 1 6 0 0 0 41 40 1 0 0 0 0 41 49 1 6 0 0 0 42 40 1 0 0 0 0 42 24 1 1 0 0 0 42 43 1 0 0 0 0 43 46 1 1 0 0 0 43 44 1 0 0 0 0 44 47 1 6 0 0 0 44 45 1 0 0 0 0 45 41 1 0 0 0 0 45 48 1 6 0 0 0 M RAD 1 16 2 M END $$$$ 149157_p OpenBabel02171217032D 69 74 0 0 0 0 0 0 0 0999 V2000 12.0255 -9.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3110 -9.9439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0255 -8.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5966 -9.5316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3110 -8.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5966 -8.7066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3111 -10.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -9.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3110 -7.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -11.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -12.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8822 -10.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0254 -7.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -8.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -9.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8833 -8.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8833 -9.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1689 -8.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 -9.9439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4544 -8.7064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4544 -9.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5978 -8.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5978 -9.9439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 -10.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -7.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3123 -9.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3123 -8.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0268 -9.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 -8.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 -8.2940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1677 -9.5316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4532 -9.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7388 -9.5315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7388 -8.7065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4532 -10.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 -9.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0244 -8.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 -7.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 -10.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3098 -11.1815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7388 -11.1815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7388 -12.0064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0243 -12.4189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3098 -12.0064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4532 -12.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 -13.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5955 -12.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -10.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4544 -12.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4543 -12.8313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1689 -11.5938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8833 -12.0063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8833 -12.8313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1687 -13.2439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5977 -11.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5977 -13.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1687 -14.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7398 -13.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3121 -12.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0266 -13.2439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3121 -12.0064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0266 -11.5939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7411 -12.0065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7411 -12.8315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0267 -10.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4555 -11.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4555 -13.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0266 -14.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 15 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 14 1 1 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 15 1 6 0 0 0 23 27 1 0 0 0 0 25 26 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 31 30 1 0 0 0 0 31 39 1 6 0 0 0 32 30 1 0 0 0 0 32 8 1 1 0 0 0 32 33 1 0 0 0 0 33 36 1 1 0 0 0 33 34 1 0 0 0 0 34 37 1 6 0 0 0 34 35 1 0 0 0 0 35 31 1 0 0 0 0 35 38 1 6 0 0 0 41 40 1 0 0 0 0 41 49 1 6 0 0 0 42 40 1 0 0 0 0 42 36 1 1 0 0 0 42 43 1 0 0 0 0 43 46 1 1 0 0 0 43 44 1 0 0 0 0 44 47 1 6 0 0 0 44 45 1 0 0 0 0 45 41 1 0 0 0 0 45 48 1 6 0 0 0 51 50 1 0 0 0 0 51 59 1 6 0 0 0 52 50 1 0 0 0 0 52 24 1 1 0 0 0 52 53 1 0 0 0 0 53 56 1 1 0 0 0 53 54 1 0 0 0 0 54 57 1 6 0 0 0 54 55 1 0 0 0 0 55 51 1 0 0 0 0 55 58 1 6 0 0 0 61 60 1 0 0 0 0 61 69 1 6 0 0 0 62 60 1 0 0 0 0 62 56 1 1 0 0 0 62 63 1 0 0 0 0 63 66 1 1 0 0 0 63 64 1 0 0 0 0 64 67 1 6 0 0 0 64 65 1 0 0 0 0 65 61 1 0 0 0 0 65 68 1 6 0 0 0 M RAD 1 16 2 M END $$$$ 149158_p OpenBabel02171217032D 70 74 0 0 0 0 0 0 0 0999 V2000 8.8103 -14.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0959 -13.4502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0959 -14.2752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3813 -13.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 -14.6876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6669 -13.4501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6669 -14.2751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8103 -13.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3813 -15.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 -14.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 -13.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2379 -13.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 -10.9752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5249 -11.8001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8105 -10.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8103 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0 0 0 0 0 0 0 0 0 11.6683 -10.5627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9538 -9.3252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9538 -10.1502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0971 -8.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 -10.5627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6682 -11.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 -8.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 -11.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8117 -11.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3827 -11.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 -8.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2406 -7.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2406 -8.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5260 -7.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 -8.9127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8117 -7.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8117 -8.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9550 -7.2627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 -8.9127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 -9.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 -7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3827 -7.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 -9.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6695 -10.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2406 -10.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3839 -7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8128 -7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6695 -7.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0984 -7.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8128 -6.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6695 -8.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0984 -8.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5273 -7.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 -10.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 1 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 70 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 8 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 22 1 6 0 0 0 24 26 1 0 0 0 0 24 29 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 1 0 0 0 35 37 1 0 0 0 0 35 41 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 39 1 0 0 0 0 38 43 1 1 0 0 0 39 70 1 6 0 0 0 41 44 1 0 0 0 0 43 47 1 0 0 0 0 45 44 1 0 0 0 0 46 44 2 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 1 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51 56 1 1 0 0 0 52 53 1 0 0 0 0 52 57 1 1 0 0 0 53 40 1 6 0 0 0 55 59 1 0 0 0 0 58 57 1 0 0 0 0 60 59 1 0 0 0 0 61 59 2 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 63 65 1 0 0 0 0 63 66 2 0 0 0 0 64 67 2 0 0 0 0 64 54 1 0 0 0 0 65 68 1 1 0 0 0 69 63 1 0 0 0 0 M END $$$$ 149159_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 12.8732 -3.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1586 -4.0186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1586 -4.8431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4439 -3.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4439 -5.2554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8732 -5.2554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7293 -4.0186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7293 -4.8431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4439 -6.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8732 -6.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0148 -3.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0148 -5.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5878 -6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1586 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3276 -4.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5896 -3.6742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8753 -4.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5896 -2.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 -3.6733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8753 -4.9113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 -2.4362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1611 -2.8483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4945 -4.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1849 -5.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 -1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4468 -2.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1596 -6.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4707 -4.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1272 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 -6.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7295 -7.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0149 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0149 -7.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3005 -6.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3005 -7.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4439 -7.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0149 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 -7.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -6.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 7 8 1 0 0 0 0 8 12 1 1 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 1 0 0 0 20 24 1 0 0 0 0 21 25 1 1 0 0 0 21 22 1 0 0 0 0 22 26 1 6 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 9 1 1 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 1 0 0 0 40 39 1 0 0 0 0 M END $$$$ 149160_p OpenBabel02171217032D 51 54 0 0 0 0 0 0 0 0999 V2000 15.9767 -6.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 -6.6969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2621 -7.5214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5474 -6.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -7.9337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9767 -7.9337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8328 -6.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8328 -7.5214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5474 -8.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9767 -8.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 -6.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 -7.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6913 -9.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 -9.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4311 -6.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6931 -6.3525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9787 -6.7646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6931 -5.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -6.3516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9787 -7.5896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9787 -5.1145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2645 -5.5266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7271 -6.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2883 -7.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9550 -4.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 -5.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2883 -8.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5741 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2307 -3.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -9.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8330 -9.9408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1184 -8.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -10.3533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4040 -9.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4040 -9.9408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5474 -10.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -11.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -10.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -8.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0049 -9.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7252 -5.1137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3127 -5.8282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3127 -4.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4877 -5.8281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4877 -4.3992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0752 -5.1136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5662 -6.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 -6.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -5.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 -3.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -3.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 7 8 1 0 0 0 0 8 12 1 1 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 1 0 0 0 20 24 1 0 0 0 0 21 25 1 1 0 0 0 21 22 1 0 0 0 0 22 26 1 6 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 9 1 1 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 1 0 0 0 40 39 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 26 1 1 0 0 0 42 44 1 0 0 0 0 42 47 1 6 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 44 48 1 1 0 0 0 45 46 1 0 0 0 0 45 50 1 1 0 0 0 46 49 1 1 0 0 0 51 50 1 0 0 0 0 M END $$$$ 149161_p OpenBabel02171217032D 62 66 0 0 0 0 0 0 0 0999 V2000 15.9767 -6.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 -6.6969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2621 -7.5214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5474 -6.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -7.9337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9767 -7.9337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8328 -6.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8328 -7.5214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5474 -8.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9767 -8.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 -6.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 -7.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6913 -9.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 -9.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4311 -6.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6931 -6.3525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9787 -6.7646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6931 -5.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -6.3516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9787 -7.5896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9787 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1 0 0 0 0 0 0 0 0 0 8.3127 -5.8282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3127 -4.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4877 -5.8281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4877 -4.3992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0752 -5.1136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5662 -6.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9758 -6.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -5.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 -3.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -3.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5357 -5.5261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5357 -6.3511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8212 -5.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8212 -6.7636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1067 -5.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1067 -6.3511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0912 -6.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8212 -7.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 -6.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 -5.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6778 -5.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 7 8 1 0 0 0 0 8 12 1 1 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 1 0 0 0 20 24 1 0 0 0 0 21 25 1 1 0 0 0 21 22 1 0 0 0 0 22 26 1 6 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 9 1 1 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 1 0 0 0 40 39 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 26 1 1 0 0 0 42 44 1 0 0 0 0 42 47 1 6 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 44 48 1 1 0 0 0 45 46 1 0 0 0 0 45 50 1 1 0 0 0 46 49 1 1 0 0 0 51 50 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 49 1 6 0 0 0 53 55 1 0 0 0 0 53 58 1 6 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 55 59 1 1 0 0 0 56 57 1 0 0 0 0 56 61 1 1 0 0 0 57 60 1 1 0 0 0 62 61 1 0 0 0 0 M END $$$$ 149162_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 8.6557 -12.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6557 -13.3094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9412 -12.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9412 -13.7219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2268 -12.4844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2268 -13.3094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3702 -12.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3702 -13.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9412 -14.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5123 -13.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5123 -12.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 -12.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5137 -10.8344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5137 -11.6594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7991 -10.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7991 -12.0719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0847 -10.8344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0847 -11.6594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2281 -10.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2281 -12.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7991 -12.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3702 -10.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6557 -10.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9426 -8.3593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9426 -9.1843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2281 -7.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2281 -9.5968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5137 -8.3593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5137 -9.1843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6571 -7.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6571 -9.5969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7992 -9.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7992 -7.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0847 -8.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6571 -10.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3716 -10.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9426 -10.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 19 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 31 35 1 0 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 149163_p OpenBabel02171217032D 51 54 0 0 0 0 0 0 0 0999 V2000 15.9368 -15.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2222 -15.5432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2222 -16.3677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5075 -15.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5075 -16.7800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9368 -16.7800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7929 -15.5432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7929 -16.3677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5075 -17.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 -17.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0784 -15.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0784 -16.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6514 -17.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2222 -17.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3912 -15.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6532 -15.1988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9389 -15.6109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6532 -14.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2247 -15.1979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9389 -16.4359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9389 -13.9608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2247 -14.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5581 -15.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2485 -16.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -13.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5104 -13.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2485 -17.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5343 -16.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1908 -12.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7931 -17.9621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7931 -18.7871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0785 -17.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0785 -19.1996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3641 -17.9621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3641 -18.7871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5075 -19.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0785 -20.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6496 -19.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6496 -17.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9352 -17.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9352 -19.6121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9352 -20.4371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2206 -19.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2206 -20.8496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5062 -19.6121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5062 -20.4371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6496 -20.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2206 -21.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -20.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -19.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 -19.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 7 8 1 0 0 0 0 8 12 1 1 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 1 0 0 0 20 24 1 0 0 0 0 21 25 1 1 0 0 0 21 22 1 0 0 0 0 22 26 1 6 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 9 1 1 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 38 1 1 0 0 0 40 39 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 38 1 6 0 0 0 42 44 1 0 0 0 0 42 47 1 6 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 44 48 1 1 0 0 0 45 46 1 0 0 0 0 45 50 1 1 0 0 0 46 49 1 1 0 0 0 51 50 1 0 0 0 0 M END $$$$ 149165_p OpenBabel02171217032D 9 8 0 0 0 0 0 0 0 0999 V2000 -0.8856 -0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 -0.0759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5434 -0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1711 0.3366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1711 1.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -0.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3145 -0.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 1 0 0 0 4 2 1 0 0 0 0 4 5 1 6 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 M END $$$$ 149171_p OpenBabel02171217032D 31 32 0 0 0 0 0 0 0 0999 V2000 9.9976 -21.7184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9976 -22.5434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2831 -21.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2831 -22.9559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5686 -21.7184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5686 -22.5434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7121 -21.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 -22.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2831 -23.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -22.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -21.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 -21.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4266 -19.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4266 -20.0683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7121 -18.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 -20.4808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9976 -19.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9976 -20.0683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1411 -18.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1411 -20.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2832 -20.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2832 -18.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 -19.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -20.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5686 -24.1933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9811 -24.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1561 -23.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 -24.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8555 -19.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5700 -18.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2845 -19.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 9 25 1 0 0 0 0 11 24 2 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 29 1 0 0 0 0 23 22 1 0 0 0 0 26 25 2 0 0 0 0 27 25 2 0 0 0 0 28 25 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M END $$$$ 149172_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 20.6805 -5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6805 -5.9345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9659 -4.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9659 -6.3470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2515 -5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2515 -5.9345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3949 -4.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3949 -6.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9659 -7.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5370 -6.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 6 10 1 1 0 0 0 M END $$$$ 149175_p OpenBabel02171217032D 24 25 0 0 0 0 0 0 0 0999 V2000 17.5367 -3.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7521 -3.5681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7082 -2.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1390 -3.0161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0950 -1.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3105 -2.2091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1498 -3.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5806 -4.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3543 -3.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6973 -1.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2665 -1.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6534 -0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4611 -4.6301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1285 -4.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7161 -5.4147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7960 -4.6301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5411 -5.4147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0261 -6.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2312 -6.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6765 -4.3752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0634 -4.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5049 -3.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2788 -4.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3901 -3.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 8 1 1 0 0 0 17 18 1 6 0 0 0 20 13 1 0 0 0 0 20 22 1 1 0 0 0 21 20 1 0 0 0 0 23 21 1 0 0 0 0 M END $$$$ 149176_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 19.0063 -13.3824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6742 -12.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2607 -14.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3412 -13.3835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0857 -14.1679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1260 -13.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5701 -14.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7752 -14.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2219 -13.1268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6084 -13.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0511 -12.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8240 -13.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9253 -12.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3085 -13.0889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.9763 -12.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5627 -13.8737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6433 -13.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3878 -13.8744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4281 -12.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8721 -14.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0773 -14.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5240 -12.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9105 -13.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3532 -12.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2274 -12.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 13 1 1 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 5 1 0 0 0 0 4 6 1 1 0 0 0 5 7 1 6 0 0 0 6 23 1 0 0 0 0 9 1 1 0 0 0 0 9 11 1 1 0 0 0 10 9 1 0 0 0 0 12 10 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 6 0 0 0 22 14 1 0 0 0 0 22 24 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 149177_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 7.9136 -20.9366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5814 -20.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1679 -21.7214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2484 -20.9377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9929 -21.7222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0333 -20.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4773 -22.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6824 -22.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -20.6810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5156 -21.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 -19.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -20.9770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8912 -20.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8912 -21.5085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1767 -20.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1767 -21.9210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4622 -20.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4622 -21.5085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6056 -20.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 -21.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1766 -22.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7478 -21.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7478 -20.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3202 -20.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8624 -20.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 25 1 1 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 5 1 0 0 0 0 4 6 1 1 0 0 0 5 7 1 6 0 0 0 6 23 1 0 0 0 0 9 1 1 0 0 0 0 9 11 1 1 0 0 0 10 9 1 0 0 0 0 12 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 19 24 1 0 0 0 0 M END $$$$ 149178_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 7.8838 -14.0682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5516 -13.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 -14.8530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2186 -14.0694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9630 -14.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0035 -13.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4474 -15.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6526 -15.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0993 -13.8126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4858 -14.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 -13.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -14.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 -11.7525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7180 -12.5775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0035 -11.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 -12.9900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2890 -11.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2890 -12.5775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4325 -11.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4325 -12.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5745 -12.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5745 -11.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8601 -11.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1469 -11.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7629 -13.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 25 1 1 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 5 1 0 0 0 0 4 6 1 1 0 0 0 5 7 1 6 0 0 0 9 1 1 0 0 0 0 9 11 1 1 0 0 0 10 9 1 0 0 0 0 12 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 6 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 M END $$$$ 149179_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 8.7751 -5.3675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7751 -6.1925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0606 -4.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 -6.6050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3462 -5.3675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3462 -6.1925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4896 -4.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4896 -6.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 -7.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6316 -6.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6316 -4.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9172 -5.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7751 -7.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -8.6675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4896 -7.4300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2040 -7.8425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2040 -8.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4895 -9.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9184 -7.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9184 -9.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4895 -9.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 -9.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6330 -3.7175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6330 -4.5425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9185 -3.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9185 -4.9550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2040 -3.7175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2040 -4.5425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3475 -3.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3475 -4.9550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9185 -5.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4896 -3.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7751 -3.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3475 -5.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0620 -6.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6330 -6.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 -3.3050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 -4.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4731 -2.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3462 -2.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 14 22 1 6 0 0 0 15 13 1 0 0 0 0 15 8 1 1 0 0 0 15 16 1 0 0 0 0 16 19 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 6 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 7 1 6 0 0 0 30 34 1 0 0 0 0 33 32 1 0 0 0 0 33 37 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 38 37 2 0 0 0 0 39 37 2 0 0 0 0 40 37 1 0 0 0 0 M END $$$$ 149547_p OpenBabel02171217032D 71 76 0 0 0 0 0 0 0 0999 V2000 12.0711 -8.4474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0710 -7.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3568 -7.2096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6425 -7.6216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6424 -8.4467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3568 -8.8595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3704 -6.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9318 -7.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9283 -8.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3568 -9.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6561 -5.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7857 -8.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6666 -10.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9284 -10.0990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2143 -10.5111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9284 -9.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 -10.0980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2143 -11.3360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2140 -8.8608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4999 -9.2729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8333 -10.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5237 -11.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 -8.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5239 -12.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8096 -11.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4659 -7.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5245 -10.4981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5245 -11.3231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8100 -10.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8100 -11.7356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0955 -10.4981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0955 -11.3231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2389 -10.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2389 -11.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8100 -12.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3811 -11.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3811 -10.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3824 -8.8481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3824 -9.6731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6679 -8.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6679 -10.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9535 -8.8481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9535 -9.6731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0969 -8.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0969 -10.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6679 -10.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2389 -8.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5245 -8.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6679 -11.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3823 -12.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9533 -12.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3823 -12.9731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9533 -12.9730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6678 -13.3855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0968 -11.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0967 -13.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6678 -14.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2389 -13.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2389 -14.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2403 -7.1982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2403 -8.0231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5257 -6.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5257 -8.4356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8113 -7.1982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8113 -8.0231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1725 -7.1392 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 24.9547 -8.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5257 -9.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0969 -6.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3824 -7.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6918 -11.7361 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 12 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 13 37 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 6 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 1 0 0 0 18 22 1 0 0 0 0 19 23 1 1 0 0 0 19 20 1 0 0 0 0 20 12 1 6 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 6 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 1 0 0 0 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0 0 0 0 0 0 0 0 9.3526 -6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9141 -6.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -8.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3390 -9.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6383 -5.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -7.9957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9057 -7.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -8.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -8.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1915 -6.7815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4772 -8.0187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6267 -9.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4773 -7.1936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8106 -8.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7629 -6.7807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 -7.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 -6.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0488 -8.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2242 -9.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9536 -6.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7679 -8.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6488 -10.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9106 -9.7909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1965 -10.2029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9106 -8.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4821 -9.7899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1965 -11.0279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1963 -8.5527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4821 -8.9648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8155 -10.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5059 -11.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1725 -7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5061 -12.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7918 -11.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4481 -7.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 -5.9564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4683 -5.5521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4490 -4.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 -4.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -5.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7346 -5.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5067 -10.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5067 -11.0149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7922 -9.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7922 -11.4274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0777 -10.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0777 -11.0149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2211 -9.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2211 -11.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7922 -12.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3633 -11.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3633 -9.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3646 -8.5400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3646 -9.3650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6501 -8.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6501 -9.7775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9357 -8.5400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9357 -9.3650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0791 -8.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0791 -9.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6501 -10.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2211 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75 65 1 6 0 0 0 80 79 1 0 0 0 0 A 76 H A 81 H M END $$$$ 149549_p OpenBabel02171217032D 15 15 0 0 0 0 0 0 0 0999 V2000 8.9245 -3.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6391 -1.8986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6391 -2.7236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9245 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9245 -3.0788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2101 -1.8986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2101 -2.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3535 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3535 -3.1361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4957 -3.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4957 -1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7811 -1.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3535 -3.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0679 -4.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6390 -4.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 9 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0 0 0 0 7.1555 -4.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 9 13 1 0 0 0 0 12 11 1 0 0 0 0 12 16 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 M END $$$$ 149551_p OpenBabel02171217032D 33 34 0 0 0 0 0 0 0 0999 V2000 10.2125 -5.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 -3.4080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9271 -4.2332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2125 -2.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2125 -4.5883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4980 -3.4080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4980 -4.2332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6415 -2.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6415 -4.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 -4.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 -2.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 -3.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6415 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3560 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3544 -2.9956 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 -3.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3544 -2.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9256 -3.8205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9256 -4.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2110 -3.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -5.0008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4964 -3.8205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4964 -4.6456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6399 -5.0581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -5.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -3.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 -3.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3544 -6.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3544 -3.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 9 13 1 0 0 0 0 12 11 1 0 0 0 0 12 16 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 17 1 6 0 0 0 21 23 1 0 0 0 0 21 26 1 1 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 19 1 1 0 0 0 24 25 1 0 0 0 0 24 28 1 1 0 0 0 25 27 1 6 0 0 0 26 30 1 0 0 0 0 29 28 1 0 0 0 0 31 30 2 0 0 0 0 32 30 1 0 0 0 0 M END $$$$ 149552_p OpenBabel02171217032D 51 53 0 0 0 0 0 0 0 0999 V2000 10.2121 -5.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 -3.4079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9267 -4.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2121 -2.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2121 -4.5881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4976 -3.4079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4976 -4.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6411 -2.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6411 -4.6454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -4.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -2.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -3.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6411 -5.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3556 -5.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9266 -5.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -2.9955 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6397 -3.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -2.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 -5.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9254 -3.8204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9254 -4.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2108 -3.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 -5.0006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4962 -3.8204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4962 -4.6455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6397 -5.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 -5.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 -3.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0673 -3.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6397 -5.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -6.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9252 -6.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -3.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -3.4079 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 -3.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -2.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 -6.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 -4.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9239 -5.0580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2094 -3.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 -5.4131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5051 -4.2329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5051 -5.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6383 -5.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 -5.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 -3.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9341 -4.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 -6.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -6.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -6.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -4.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 3 9 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 1 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 9 13 1 0 0 0 0 12 11 1 0 0 0 0 12 16 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 17 1 6 0 0 0 21 23 1 0 0 0 0 21 26 1 1 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 19 1 1 0 0 0 24 25 1 0 0 0 0 24 28 1 1 0 0 0 25 27 1 6 0 0 0 26 30 1 0 0 0 0 29 28 1 0 0 0 0 29 34 1 0 0 0 0 31 30 2 0 0 0 0 32 30 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 34 51 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 35 1 6 0 0 0 39 41 1 0 0 0 0 39 44 1 1 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 37 1 1 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 43 45 1 6 0 0 0 44 48 1 0 0 0 0 47 46 1 0 0 0 0 49 48 2 0 0 0 0 50 48 1 0 0 0 0 M END $$$$ 149553_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 9.8939 -12.7585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8939 -13.5835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1794 -12.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 -13.9959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4649 -12.7585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4649 -13.5835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6083 -12.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6083 -13.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 -14.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 -13.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 -12.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0361 -12.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3228 -10.2835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3228 -11.1085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6083 -9.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6083 -11.5210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8939 -10.2835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8939 -11.1085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0372 -9.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 -11.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 -11.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 -9.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4650 -10.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1806 -8.6336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1806 -9.4586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4662 -8.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -9.8710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7516 -8.6336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7516 -9.4586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8950 -8.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8950 -9.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -10.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 -8.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3228 -8.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -9.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 22 35 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 19 1 6 0 0 0 34 33 1 0 0 0 0 M END $$$$ 149554_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 10.2445 -7.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9589 -7.8945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5300 -7.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 -8.7195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5300 -8.7195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2445 -9.1320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2444 -6.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6734 -7.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6734 -9.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 -9.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 -9.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -5.4194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5300 -6.2445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8154 -5.0069 0.0000 O 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9601 -5.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 19 1 1 0 0 0 21 20 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 22 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 6 0 0 0 30 34 1 0 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 M END $$$$ 149555_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 7.6602 -7.9591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3746 -8.3716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9457 -8.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3746 -9.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9457 -9.1966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6602 -9.6091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6601 -7.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 -7.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 -9.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6602 -10.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2313 -9.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9457 -5.8965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9457 -6.7216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2310 -5.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2310 -7.1341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5166 -5.8965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5166 -6.7216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2310 -7.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 -7.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 -5.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 -5.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6601 -5.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 -6.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8034 -4.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8034 -5.0715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0889 -3.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 -5.4840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3744 -4.2465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3744 -5.0715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5179 -3.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5179 -5.4840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6601 -3.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9456 -4.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5203 -6.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2359 -6.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8046 -6.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 19 1 1 0 0 0 21 20 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 23 1 1 0 0 0 28 29 1 0 0 0 0 28 32 1 1 0 0 0 29 22 1 6 0 0 0 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0 0 0 0 12.5473 -3.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -3.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5473 -5.3026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2618 -4.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9761 -5.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2618 -4.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -2.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1183 -8.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8328 -8.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1183 -6.9527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4039 -7.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8328 -7.3652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4039 -8.1902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5472 -6.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5473 -8.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1184 -9.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -8.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9749 -8.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 1 0 0 0 4 7 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 6 0 0 0 15 17 1 0 0 0 0 15 11 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 1 0 0 0 17 18 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 26 34 1 1 0 0 0 27 26 1 0 0 0 0 27 33 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 14 1 1 0 0 0 29 31 1 0 0 0 0 30 27 1 0 0 0 0 30 32 1 6 0 0 0 31 26 1 0 0 0 0 31 35 1 1 0 0 0 35 36 1 0 0 0 0 M END $$$$ 149557_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 14.1169 -5.1344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8314 -4.7219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1169 -5.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4025 -4.7219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8314 -3.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4025 -3.8969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6879 -5.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1169 -3.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5457 -3.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6879 -3.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5457 -5.1344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2603 -4.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9747 -5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2603 -3.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6879 -2.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5446 -3.8967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5446 -4.7217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9735 -4.7219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9735 -3.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -5.1342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2591 -3.4842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2590 -5.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8300 -5.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8302 -3.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5447 -2.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4023 -7.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4023 -8.0217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1169 -6.7842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8313 -7.1967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8311 -8.0217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1167 -8.4342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5457 -6.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5457 -8.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 -9.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6878 -8.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 24 1 1 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 6 0 0 0 29 27 1 0 0 0 0 29 3 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 34 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 35 1 6 0 0 0 M END $$$$ 149558_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 10.9979 -4.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2834 -4.5472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2834 -5.3722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5689 -4.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5689 -5.7849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8545 -4.5472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8545 -5.3722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9979 -5.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5688 -6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -5.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -4.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -4.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8543 -7.0222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8543 -7.8472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1399 -6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -8.2597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4255 -7.0222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4255 -7.8472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5688 -8.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -9.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -8.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9965 -7.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 149560_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 11.3490 -4.5920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3537 -5.4170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6399 -5.8309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9336 -5.4266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9290 -4.6017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2105 -4.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0627 -4.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0846 -5.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6446 -6.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2199 -5.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6427 -4.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5090 -4.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7780 -4.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 2 1 0 0 0 0 3 9 1 1 0 0 0 4 3 1 0 0 0 0 4 10 1 6 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 7 13 1 0 0 0 0 11 1 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 M END $$$$ 149561_p OpenBabel02171217032D 46 49 0 0 0 0 0 0 0 0999 V2000 12.0229 -4.0555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7374 -3.6430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0229 -4.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3085 -3.6430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7374 -2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3085 -2.8180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5939 -4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0229 -2.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4517 -2.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5939 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4517 -4.0555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1662 -3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8806 -4.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1662 -2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5939 -1.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -2.8177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4505 -3.6427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8795 -3.6430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8795 -2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1651 -4.0552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1651 -2.4052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1649 -4.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -4.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7361 -2.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1651 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4507 -1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3083 -6.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3083 -6.9427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0229 -5.7052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7373 -6.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7371 -6.9427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0227 -7.3552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4517 -5.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4517 -7.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0227 -8.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5937 -7.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -4.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -5.2927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4505 -5.2928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4505 -6.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7360 -6.5300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0215 -6.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1648 -6.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 -7.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -6.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 24 1 1 0 0 0 17 16 1 0 0 0 0 17 23 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 7 1 1 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 20 22 1 6 0 0 0 21 16 1 0 0 0 0 21 25 1 1 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 6 0 0 0 29 27 1 0 0 0 0 29 3 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 1 0 0 0 30 31 1 0 0 0 0 31 34 1 6 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 32 35 1 6 0 0 0 38 37 1 0 0 0 0 38 46 1 6 0 0 0 39 37 1 0 0 0 0 39 22 1 1 0 0 0 39 40 1 0 0 0 0 40 43 1 1 0 0 0 40 41 1 0 0 0 0 41 44 1 6 0 0 0 41 42 1 0 0 0 0 42 38 1 0 0 0 0 42 45 1 6 0 0 0 M END $$$$ 149562_p OpenBabel02171217032D 61 65 0 0 0 0 0 0 0 0999 V2000 12.7352 -12.2763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7352 -13.1013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0208 -11.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0208 -13.5138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3064 -12.2763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3064 -13.1013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4497 -11.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -13.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0208 -14.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 -13.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 -11.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8775 -12.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 -14.7512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3064 -15.5762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5918 -14.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 -15.9886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8775 -14.7512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8775 -15.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0208 -15.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 -16.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -15.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -14.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 -14.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1641 -14.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8785 -15.1637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1641 -13.9262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8785 -13.5137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5931 -13.9263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5931 -14.7513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8788 -12.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3075 -13.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3075 -15.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8785 -15.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0208 -16.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7353 -17.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 -17.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8788 -9.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 -9.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1643 -10.6264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4497 -9.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -11.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7353 -9.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7353 -10.6264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8788 -11.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 -11.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 -9.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -9.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3080 -6.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5934 -7.3265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5934 -8.1515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8788 -6.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8788 -8.5639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1644 -7.3265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1644 -8.1515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3080 -8.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4500 -8.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4500 -6.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7354 -7.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 -10.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 -9.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3078 -11.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 7 1 1 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 43 45 1 6 0 0 0 44 59 1 0 0 0 0 47 46 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 48 1 1 0 0 0 50 52 1 0 0 0 0 50 55 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 37 1 1 0 0 0 53 54 1 0 0 0 0 53 57 1 1 0 0 0 54 56 1 1 0 0 0 58 57 1 0 0 0 0 60 59 2 0 0 0 0 61 59 1 0 0 0 0 M END $$$$ 149563_p OpenBabel02171217032D 71 76 0 0 0 0 0 0 0 0999 V2000 11.3400 -11.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1585 -9.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4441 -9.2953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1585 -10.5328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4441 -10.9453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7294 -10.5327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7295 -9.7077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4438 -11.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 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-15.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0208 -15.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 -16.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -15.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -14.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 -14.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1641 -14.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8785 -15.1637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1641 -13.9262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8785 -13.5137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5931 -13.9263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5931 -14.7513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8788 -12.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3075 -13.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3075 -15.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8785 -15.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0208 -16.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7353 -17.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 -17.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8788 -9.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 -9.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1643 -10.6264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4497 -9.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -11.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7353 -9.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7353 -10.6264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8788 -11.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 -9.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -9.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3080 -6.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5934 -7.3265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5934 -8.1515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8788 -6.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8788 -8.5639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1644 -7.3265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1644 -8.1515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3080 -8.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4500 -8.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4500 -6.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7354 -7.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 -10.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 -9.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3078 -11.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 3 11 1 6 0 0 0 4 2 1 0 0 0 0 4 1 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 6 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 17 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 30 45 1 0 0 0 0 34 33 1 0 0 0 0 36 35 1 0 0 0 0 36 44 1 6 0 0 0 37 35 1 0 0 0 0 37 19 1 1 0 0 0 37 38 1 0 0 0 0 38 41 1 1 0 0 0 38 39 1 0 0 0 0 39 42 1 6 0 0 0 39 40 1 0 0 0 0 40 36 1 0 0 0 0 40 43 1 6 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 48 1 1 0 0 0 50 52 1 0 0 0 0 50 55 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 18 1 1 0 0 0 53 54 1 0 0 0 0 53 56 1 1 0 0 0 54 1 1 6 0 0 0 55 69 1 0 0 0 0 57 56 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 58 1 1 0 0 0 60 62 1 0 0 0 0 60 65 1 6 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 62 48 1 1 0 0 0 63 64 1 0 0 0 0 63 67 1 1 0 0 0 64 66 1 1 0 0 0 68 67 1 0 0 0 0 70 69 2 0 0 0 0 71 69 1 0 0 0 0 M END $$$$ 149564_p OpenBabel02171217032D 61 65 0 0 0 0 0 0 0 0999 V2000 11.3406 -14.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7530 -15.1489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7531 -13.7200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5781 -13.7200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9906 -14.4346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5781 -15.1490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9908 -13.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8155 -14.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9905 -15.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3405 -15.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 -13.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -11.7680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6261 -12.5930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9117 -11.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 -13.0055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1973 -11.7680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1973 -12.5930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9117 -13.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -13.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -11.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7685 -11.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1973 -14.2429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1973 -15.0679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4827 -13.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -15.4803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7685 -14.2429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7685 -15.0679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9117 -15.4803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -16.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0539 -15.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0539 -13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 -14.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 -16.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6262 -16.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1973 -16.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 -11.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 -12.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1986 -9.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4841 -10.1180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4841 -10.9430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7695 -9.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 -11.3554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0551 -10.1180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0551 -10.9430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1986 -11.3554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3407 -9.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -10.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6277 -7.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9132 -7.6431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9132 -8.4681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1986 -7.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1986 -8.8805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4842 -7.6431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4842 -8.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6277 -8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7698 -8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7698 -7.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0552 -7.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9130 -10.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9129 -10.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6275 -11.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 1 0 0 0 4 7 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 1 0 0 0 13 15 1 0 0 0 0 13 11 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 19 1 1 0 0 0 21 20 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 18 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 1 0 0 0 27 30 1 1 0 0 0 28 33 1 0 0 0 0 32 31 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 38 1 1 0 0 0 40 42 1 0 0 0 0 40 45 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 37 1 1 0 0 0 43 44 1 0 0 0 0 43 46 1 1 0 0 0 44 36 1 6 0 0 0 45 59 1 0 0 0 0 47 46 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 48 1 1 0 0 0 50 52 1 0 0 0 0 50 55 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 38 1 1 0 0 0 53 54 1 0 0 0 0 53 57 1 1 0 0 0 54 56 1 1 0 0 0 58 57 1 0 0 0 0 60 59 2 0 0 0 0 61 59 1 0 0 0 0 M END $$$$ 149565_p OpenBabel02171217032D 71 76 0 0 0 0 0 0 0 0999 V2000 8.3171 -13.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9046 -14.6406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1421 -13.9262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5546 -14.6406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1419 -15.3552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3169 -15.3552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3794 -14.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5544 -16.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9046 -16.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 -14.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5546 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9666 -8.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6812 -9.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 23 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 18 38 1 0 0 0 0 22 21 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 23 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 24 1 6 0 0 0 32 35 1 0 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 39 38 2 0 0 0 0 40 38 1 0 0 0 0 M END $$$$ 149569_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 11.0228 -5.0662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0228 -5.8912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3082 -4.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 -6.3037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5937 -5.0662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5937 -5.8912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7371 -4.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7371 -6.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 -7.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -6.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -4.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1649 -5.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5938 -7.5412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5938 -8.3662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8792 -7.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8793 -8.7786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1647 -7.5413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1649 -8.3662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3083 -8.7786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 -9.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4504 -8.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4503 -7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7358 -7.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 -9.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0228 -10.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5938 -10.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8807 -3.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8807 -4.2412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1662 -3.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1662 -4.6537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4516 -3.4162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4516 -4.2412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5952 -3.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5952 -4.6537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1662 -5.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7371 -3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0228 -3.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5952 -5.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 -5.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8807 -5.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 7 1 6 0 0 0 34 38 1 0 0 0 0 37 36 1 0 0 0 0 39 38 2 0 0 0 0 40 38 1 0 0 0 0 M END $$$$ 149570_p OpenBabel02171217032D 40 41 0 0 0 0 0 0 0 0999 V2000 11.9666 -6.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9666 -7.0639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2521 -5.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 -7.4763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5376 -6.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5376 -7.0639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6810 -7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 -8.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8232 -7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8232 -5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1089 -6.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5378 -8.7138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5378 -9.5388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8232 -8.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8232 -9.9511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1086 -8.7140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1089 -9.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2522 -9.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8230 -10.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3944 -9.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3943 -8.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 -8.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6811 -5.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9667 -9.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9666 -8.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6812 -9.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 -5.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3956 -3.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3956 -4.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6811 -3.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6811 -5.0014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9666 -3.7640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9666 -4.5889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1100 -3.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1100 -5.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 -3.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5377 -3.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8245 -4.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8245 -3.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5390 -5.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 23 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 18 24 1 0 0 0 0 22 21 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 6 0 0 0 31 33 1 0 0 0 0 31 23 1 1 0 0 0 32 30 1 1 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 27 1 1 0 0 0 35 38 1 0 0 0 0 37 36 1 0 0 0 0 39 38 2 0 0 0 0 40 38 1 0 0 0 0 M END $$$$ 150066_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 6.0166 -2.4652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3068 -2.8672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3151 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -1.6386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5970 -2.4509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5970 -1.6242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7264 -2.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 -3.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -2.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -1.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 -1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -0.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4611 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 6 0 0 0 2 1 1 0 0 0 0 2 8 1 1 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 4 10 1 6 0 0 0 5 2 1 0 0 0 0 5 9 1 1 0 0 0 6 3 1 0 0 0 0 6 11 1 1 0 0 0 6 5 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 M END $$$$ 150067_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 12.3866 -9.1218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0982 -8.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3866 -9.9468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6827 -8.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8171 -9.1218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0982 -10.3556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6827 -10.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8171 -9.9468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5325 -8.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0982 -11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5325 -10.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2439 -9.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9656 -9.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 1 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 1 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 8 11 1 6 0 0 0 9 12 1 0 0 0 0 M END $$$$ 150068_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 21.8129 -29.6696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8896 -28.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2229 -30.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.9649 -29.6714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5529 -30.9360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2301 -29.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3337 -32.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4402 -32.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5483 -29.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2729 -27.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7064 -32.7053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7064 -34.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5545 -32.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 -34.7003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4027 -32.7053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4027 -34.0353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8582 -32.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8582 -34.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 -36.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 -34.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 -32.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 -32.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4655 -32.0403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4655 -33.3703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3136 -31.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3136 -34.0353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1618 -32.0403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1618 -33.3703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6173 -31.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6173 -34.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3136 -35.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0100 -34.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0100 -31.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2246 -31.3753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2246 -32.7053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0727 -30.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 -33.3703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9209 -31.3753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9209 -32.7053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3764 -30.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3764 -33.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 -34.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7691 -33.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7691 -30.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0933 -30.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 9 1 1 0 0 0 1 40 1 6 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 6 0 0 0 5 7 1 1 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 6 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 16 1 0 0 0 0 15 21 1 1 0 0 0 16 20 1 1 0 0 0 17 33 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 33 1 1 0 0 0 28 32 1 1 0 0 0 29 44 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 6 0 0 0 35 37 1 0 0 0 0 35 41 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 39 1 0 0 0 0 38 44 1 1 0 0 0 39 43 1 6 0 0 0 45 6 1 0 0 0 0 M END $$$$ 150072_p OpenBabel02171217032D 23 23 0 0 0 0 0 0 0 0999 V2000 11.2493 -4.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3662 -4.9828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6791 -4.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3662 -5.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9645 -4.9828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6791 -6.1920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9645 -5.7797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6791 -6.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2499 -4.5430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2499 -3.7185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9920 -3.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 -2.4267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2499 -5.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 -4.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -3.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2499 -6.1920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2499 -7.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 -7.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9645 -7.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7785 -4.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6031 -4.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3662 -3.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -3.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 1 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 6 0 0 0 6 7 1 0 0 0 0 7 16 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 11 12 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END $$$$ 150073_p OpenBabel02171217032D 13 13 0 0 0 0 0 0 0 0999 V2000 6.0166 -2.4652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3068 -2.8672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3151 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -1.6386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5970 -2.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5970 -1.6242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7264 -2.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 -3.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -2.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -1.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 -1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -0.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4611 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 6 0 0 0 2 1 1 0 0 0 0 2 8 1 1 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 4 10 1 6 0 0 0 5 2 1 0 0 0 0 5 9 1 6 0 0 0 6 3 1 0 0 0 0 6 11 1 1 0 0 0 6 5 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 M END $$$$ 150074_p OpenBabel02171217032D 39 41 0 0 0 0 0 0 0 0999 V2000 10.4049 -9.1182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4049 -9.9432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6903 -8.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6903 -10.3558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9758 -9.1182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9758 -9.9432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1193 -8.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1193 -10.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6903 -11.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 -10.3558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 -8.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8338 -9.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5437 -9.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1148 -9.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5437 -9.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1148 -9.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5283 -10.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -9.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8338 -6.6432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8338 -7.4682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1193 -6.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1193 -7.8807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4049 -6.6432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4049 -7.4682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5483 -6.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 -7.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6904 -7.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6904 -6.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2629 -4.1680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2629 -4.9930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5483 -3.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 -5.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8339 -4.1680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8339 -4.9930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9773 -3.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9773 -5.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1194 -5.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1194 -3.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8296 -10.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 13 15 2 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 1 0 0 0 20 22 1 0 0 0 0 20 26 1 6 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 7 1 6 0 0 0 23 24 1 0 0 0 0 23 28 1 6 0 0 0 24 27 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 1 0 0 0 30 32 1 0 0 0 0 30 36 1 6 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 25 1 6 0 0 0 33 34 1 0 0 0 0 33 38 1 6 0 0 0 34 37 1 1 0 0 0 39 14 1 0 0 0 0 M END $$$$ 150075_p OpenBabel02171217032D 29 29 0 0 0 0 0 0 0 0999 V2000 13.7673 -25.5852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0802 -25.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7673 -26.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -25.5852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0802 -26.8218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3657 -26.4096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0802 -27.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -25.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6510 -24.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9089 -23.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1262 -24.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -25.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9089 -25.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -23.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -26.8218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -27.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9089 -28.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -28.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 -24.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4790 -24.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0501 -24.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3689 -25.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6949 -24.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0839 -25.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9742 -26.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5953 -25.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -23.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0802 -22.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 -22.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 19 1 1 0 0 0 1 22 1 6 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 6 0 0 0 5 6 1 0 0 0 0 6 15 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 6 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 10 11 1 0 0 0 0 11 23 1 0 0 0 0 13 24 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 M END $$$$ 150077_p OpenBabel02171217032D 19 19 0 0 0 0 0 0 0 0999 V2000 0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 6 0 0 0 1 2 1 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 7 1 6 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 10 1 6 0 0 0 5 6 1 0 0 0 0 6 11 1 1 0 0 0 7 9 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 15 18 1 0 0 0 0 18 16 2 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ 150092_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 8.2924 -10.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5753 -10.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2924 -9.5289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5753 -9.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 -10.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8582 -9.5289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9971 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 -11.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9971 -9.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 -9.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7116 -7.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7116 -7.8834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9971 -6.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9971 -8.2959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2826 -7.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2826 -7.8834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4261 -6.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4261 -8.2959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 -8.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 -6.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -7.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 -9.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1416 -9.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7127 -9.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 1 1 0 0 0 0 3 10 1 1 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 6 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 11 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 10 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 23 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 M END $$$$ 150093_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 8.2924 -10.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5753 -10.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2924 -9.5289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5753 -9.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 -10.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8582 -9.5289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9971 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 -11.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9971 -9.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 -9.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7116 -7.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7116 -7.8834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9971 -6.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9971 -8.2959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2826 -7.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2826 -7.8834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4261 -6.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4261 -8.2959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 -8.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 -6.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -7.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 -9.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1416 -9.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7127 -9.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7231 -11.9891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7231 -12.8141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0032 -11.5794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2940 -12.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0139 -13.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2940 -12.8259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4262 -11.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4431 -13.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0139 -14.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5847 -13.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 1 1 0 0 0 0 3 10 1 1 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 6 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 11 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 10 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 23 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 26 32 1 1 0 0 0 27 26 1 0 0 0 0 27 33 1 6 0 0 0 28 26 1 0 0 0 0 28 7 1 1 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 30 34 1 6 0 0 0 31 29 1 0 0 0 0 31 30 1 0 0 0 0 31 35 1 6 0 0 0 M END $$$$ 150094_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 8.2924 -10.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5753 -10.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2924 -9.5289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5753 -9.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 -10.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8582 -9.5289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9971 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 -11.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9971 -9.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 -9.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7116 -7.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7116 -7.8834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9971 -6.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9971 -8.2959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2826 -7.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2826 -7.8834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4261 -6.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4261 -8.2959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 -8.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 -6.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -7.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 -9.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1416 -9.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7127 -9.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7231 -11.9891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7231 -12.8141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0032 -11.5794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2940 -12.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0139 -13.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2940 -12.8259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4262 -11.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4431 -13.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0139 -14.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5847 -13.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8493 -11.5794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5585 -12.0009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1293 -11.9891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1293 -12.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5585 -12.8259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8385 -13.2356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8554 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2784 -11.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2677 -13.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 -14.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 2 1 1 0 0 0 0 2 8 1 6 0 0 0 3 1 1 0 0 0 0 3 10 1 1 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 6 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 11 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 10 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 19 23 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 26 32 1 1 0 0 0 27 26 1 0 0 0 0 27 33 1 6 0 0 0 28 26 1 0 0 0 0 28 7 1 1 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 30 34 1 6 0 0 0 31 29 1 0 0 0 0 31 30 1 0 0 0 0 31 35 1 6 0 0 0 36 42 1 1 0 0 0 37 36 1 0 0 0 0 37 43 1 6 0 0 0 38 36 1 0 0 0 0 38 32 1 1 0 0 0 39 38 1 0 0 0 0 40 37 1 0 0 0 0 40 44 1 6 0 0 0 41 39 1 0 0 0 0 41 40 1 0 0 0 0 41 45 1 6 0 0 0 M END $$$$ 150755_p OpenBabel02171217032D 95100 0 0 0 0 0 0 0 0999 V2000 10.1072 -10.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 -10.4140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8216 -10.4140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8216 -11.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1072 -11.6515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3927 -11.2390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6783 -10.0014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1071 -12.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6783 -11.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 -9.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2495 -10.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9639 -10.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6783 -9.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0270 -8.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3124 -7.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3126 -8.8789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3126 -9.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 -8.4664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0270 -7.6414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5980 -7.6414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8838 -7.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8838 -8.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1689 -7.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8839 -6.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4548 -7.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7415 -7.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3126 -6.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0270 -6.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7415 -6.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6093 -6.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6091 -10.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2157 -10.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7901 -11.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 -12.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 -13.1867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6162 -13.1867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6162 -14.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 -14.4243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1872 -14.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4728 -12.7741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9016 -15.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4727 -14.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 -12.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -13.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4728 -11.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4036 -13.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0102 -12.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5846 -14.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -14.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5349 -11.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -10.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -11.6516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8205 -12.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -11.2391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5349 -10.4140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1059 -10.4140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3917 -10.0015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3917 -11.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 -10.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 -9.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -10.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -9.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5349 -9.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2495 -9.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -9.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5995 -7.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5995 -8.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8849 -6.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8849 -8.4664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1705 -7.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1705 -8.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3139 -6.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3139 -8.4664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8849 -9.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 -8.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 -6.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 -9.2914 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7415 -9.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1705 -9.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5324 -10.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1719 -6.8164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1719 -7.6414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4573 -6.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4573 -8.0539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7430 -6.8164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7430 -7.6414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8863 -6.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8863 -8.0539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4573 -8.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0284 -8.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0284 -6.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8863 -5.5789 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.6007 -5.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1718 -5.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6832 -5.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 6 0 0 0 3 31 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 22 1 1 0 0 0 19 15 1 0 0 0 0 19 14 1 0 0 0 0 19 26 1 6 0 0 0 19 28 1 0 0 0 0 20 18 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 1 0 0 0 23 25 1 0 0 0 0 26 76 1 0 0 0 0 28 27 1 0 0 0 0 28 29 2 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 35 34 1 0 0 0 0 35 43 1 6 0 0 0 35 39 1 0 0 0 0 36 34 1 0 0 0 0 36 37 1 0 0 0 0 36 8 1 6 0 0 0 36 46 1 0 0 0 0 38 37 1 0 0 0 0 38 41 1 1 0 0 0 39 38 1 0 0 0 0 39 42 1 1 0 0 0 40 35 1 0 0 0 0 40 45 1 1 0 0 0 40 44 1 0 0 0 0 44 49 1 0 0 0 0 47 46 2 0 0 0 0 48 46 1 0 0 0 0 52 50 1 0 0 0 0 52 53 1 1 0 0 0 54 52 1 0 0 0 0 54 58 1 1 0 0 0 55 51 1 0 0 0 0 55 50 1 0 0 0 0 55 11 1 6 0 0 0 55 63 1 0 0 0 0 56 54 1 0 0 0 0 56 51 1 0 0 0 0 56 57 1 0 0 0 0 56 65 1 6 0 0 0 57 59 1 0 0 0 0 57 60 1 1 0 0 0 59 61 1 0 0 0 0 63 62 1 0 0 0 0 63 64 2 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 72 1 1 0 0 0 67 69 1 0 0 0 0 67 73 1 6 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 69 74 1 1 0 0 0 70 71 1 0 0 0 0 70 76 1 1 0 0 0 71 75 1 6 0 0 0 72 91 1 0 0 0 0 75 77 1 0 0 0 0 77 78 1 0 0 0 0 77 79 2 0 0 0 0 77 80 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 81 87 1 6 0 0 0 82 84 1 0 0 0 0 82 88 1 6 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 84 89 1 1 0 0 0 85 86 1 0 0 0 0 85 91 1 1 0 0 0 86 90 1 6 0 0 0 87 92 1 0 0 0 0 92 93 1 0 0 0 0 92 94 2 0 0 0 0 92 95 1 0 0 0 0 M END $$$$ 150756_p OpenBabel02171217032D 49 51 0 0 0 0 0 0 0 0999 V2000 8.4409 -5.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 -5.5558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1553 -5.5558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1553 -6.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4409 -6.7933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7264 -6.3808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0120 -5.1432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4408 -7.6183 0.0000 O 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 8.7373 -8.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 -8.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9183 -9.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0921 -9.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8686 -6.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -5.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -6.7934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1542 -7.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4396 -6.3809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8686 -5.5558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4396 -5.5558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7254 -5.1433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7254 -6.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 -5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 -4.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2964 -5.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -4.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8686 -4.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5832 -4.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 -4.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 6 0 0 0 3 15 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 19 18 1 0 0 0 0 19 27 1 6 0 0 0 19 23 1 0 0 0 0 20 18 1 0 0 0 0 20 21 1 0 0 0 0 20 8 1 6 0 0 0 20 30 1 0 0 0 0 22 21 1 0 0 0 0 22 25 1 1 0 0 0 23 22 1 0 0 0 0 23 26 1 1 0 0 0 24 19 1 0 0 0 0 24 29 1 1 0 0 0 24 28 1 0 0 0 0 28 33 1 0 0 0 0 31 30 2 0 0 0 0 32 30 1 0 0 0 0 36 34 1 0 0 0 0 36 37 1 1 0 0 0 38 36 1 0 0 0 0 38 42 1 1 0 0 0 39 35 1 0 0 0 0 39 34 1 0 0 0 0 39 11 1 6 0 0 0 39 47 1 0 0 0 0 40 38 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 40 49 1 6 0 0 0 41 43 1 0 0 0 0 41 44 1 1 0 0 0 43 45 1 0 0 0 0 47 46 1 0 0 0 0 47 48 2 0 0 0 0 M END $$$$ 150759_p OpenBabel02171217032D 23 23 0 0 0 0 0 0 0 0999 V2000 13.7673 -25.5852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0802 -25.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7673 -26.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -25.5852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0802 -26.8218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3657 -26.4096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0802 -27.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -25.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6510 -24.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9089 -23.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1262 -24.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -25.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9089 -25.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -23.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -26.8218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -27.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9089 -28.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -28.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 -24.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4790 -24.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0501 -24.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3689 -25.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6949 -24.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 19 1 1 0 0 0 1 22 1 6 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 6 0 0 0 5 6 1 0 0 0 0 6 15 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 6 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 10 11 1 0 0 0 0 11 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 M END $$$$ 150760_p OpenBabel02171217032D 79 83 0 0 0 0 0 0 0 0999 V2000 9.2460 -7.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5316 -8.1401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9604 -8.1401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9604 -8.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 -9.3776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5316 -8.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8172 -7.7275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2460 -10.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8172 -9.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5316 -7.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 -7.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1028 -8.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8172 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0 0 0 0 0 0 5.6738 -8.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 -7.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -9.3778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9594 -10.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2447 -8.9653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6738 -8.1401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2447 -8.1401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5306 -7.7276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5306 -9.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 -8.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 -6.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -7.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -6.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 -7.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 -6.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2561 -7.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7383 -4.9550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7383 -5.7800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0238 -4.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0238 -6.1925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3094 -4.9550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3094 -5.7800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4527 -4.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4527 -6.1925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0238 -7.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 -6.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 -4.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 -7.0175 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8804 -7.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3094 -7.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6713 -7.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3107 -4.5425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3107 -5.3675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5961 -4.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5961 -5.7800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8819 -4.5425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8819 -5.3675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0251 -4.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0251 -5.7800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5961 -6.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1673 -5.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1673 -4.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0251 -3.3050 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.7395 -2.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3107 -2.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8220 -3.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 6 0 0 0 3 31 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 22 1 1 0 0 0 19 15 1 0 0 0 0 19 14 1 0 0 0 0 19 26 1 6 0 0 0 19 28 1 0 0 0 0 20 18 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 1 0 0 0 23 25 1 0 0 0 0 26 60 1 0 0 0 0 28 27 1 0 0 0 0 28 29 2 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 36 34 1 0 0 0 0 36 37 1 1 0 0 0 38 36 1 0 0 0 0 38 42 1 1 0 0 0 39 35 1 0 0 0 0 39 34 1 0 0 0 0 39 11 1 6 0 0 0 39 47 1 0 0 0 0 40 38 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 40 49 1 6 0 0 0 41 43 1 0 0 0 0 41 44 1 1 0 0 0 43 45 1 0 0 0 0 47 46 1 0 0 0 0 47 48 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 1 0 0 0 51 53 1 0 0 0 0 51 57 1 6 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 53 58 1 1 0 0 0 54 55 1 0 0 0 0 54 60 1 1 0 0 0 55 59 1 6 0 0 0 56 75 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 2 0 0 0 0 61 64 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 65 71 1 6 0 0 0 66 68 1 0 0 0 0 66 72 1 6 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 68 73 1 1 0 0 0 69 70 1 0 0 0 0 69 75 1 1 0 0 0 70 74 1 6 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 76 79 1 0 0 0 0 M END $$$$ 150763_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 10.9637 -14.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6781 -14.6936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2491 -14.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 -15.5186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2492 -15.5186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9637 -15.9311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9636 -13.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 -14.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 -15.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9637 -16.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -15.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2491 -12.2185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2491 -13.0436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5346 -11.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -13.4561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8201 -12.2185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8201 -13.0436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9636 -11.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -14.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1057 -13.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1057 -11.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3912 -12.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1107 -14.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 -9.7435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6781 -10.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9636 -9.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 -10.9810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2491 -9.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2491 -10.5685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3926 -9.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 -10.9810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -10.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8202 -9.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3950 -11.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1107 -12.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6793 -12.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 6 0 0 0 8 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 18 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 31 35 1 0 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 M END $$$$ 150764_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 10.9637 -14.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6781 -14.6936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2491 -14.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 -15.5186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2492 -15.5186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9637 -15.9311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9636 -13.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 -14.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 -15.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9637 -16.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -15.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2491 -12.2185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2491 -13.0436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5346 -11.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -13.4561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8201 -12.2185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8201 -13.0436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9636 -11.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -14.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1057 -13.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1057 -11.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3912 -12.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1107 -14.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 -9.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6781 -10.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9636 -9.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 -10.9810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2491 -9.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2491 -10.5685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3926 -9.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 -10.9810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -10.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8202 -9.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3950 -11.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1107 -12.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6793 -12.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 6 0 0 0 8 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 18 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 31 35 1 0 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 M END $$$$ 150765_p OpenBabel02171217032D 24 25 0 0 0 0 0 0 0 0999 V2000 10.6650 -13.4739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3794 -13.8864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9505 -13.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3794 -14.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9505 -14.7114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6650 -15.1239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6649 -12.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -13.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -15.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6650 -15.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 -15.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 -11.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9505 -12.2364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2359 -10.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2359 -12.6489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5215 -11.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5215 -12.2364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2359 -13.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 -12.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 -10.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0926 -11.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8120 -13.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8028 -13.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6649 -10.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 6 0 0 0 8 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 19 1 1 0 0 0 19 23 1 0 0 0 0 21 20 1 0 0 0 0 M END $$$$ 150766_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 10.6650 -13.4739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3794 -13.8864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9505 -13.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3794 -14.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9505 -14.7114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6650 -15.1239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6649 -12.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -13.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -15.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6650 -15.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 -15.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 -11.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9505 -12.2364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2359 -10.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2359 -12.6489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5215 -11.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5215 -12.2364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2359 -13.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 -12.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 -10.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0926 -11.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6649 -10.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3794 -8.9364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3794 -9.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6649 -8.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6649 -10.1739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9504 -8.9364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9504 -9.7614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0939 -8.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -10.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 -10.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 -8.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 -8.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 -11.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 -11.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3806 -11.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 19 1 1 0 0 0 21 20 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 6 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 22 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 1 0 0 0 30 34 1 0 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 M END $$$$ 150767_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 10.6650 -13.4739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3794 -13.8864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9505 -13.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3794 -14.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9505 -14.7114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6650 -15.1239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6649 -12.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -13.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -15.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6650 -15.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 -15.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 -11.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9505 -12.2364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2359 -10.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2359 -12.6489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5215 -11.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5215 -12.2364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2359 -13.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 -12.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 -10.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0926 -11.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6649 -10.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3794 -8.9364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3794 -9.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6649 -8.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6649 -10.1739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9504 -8.9364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9504 -9.7614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0939 -8.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -10.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 -10.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 -8.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 -8.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 -11.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 -11.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3806 -11.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 1 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 19 1 1 0 0 0 21 20 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 22 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 31 1 1 0 0 0 30 34 1 0 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 M END $$$$ 150787_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 9.4460 -8.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 -7.2327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1604 -6.8203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7315 -6.8203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1604 -5.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7315 -5.9952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0171 -7.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 -5.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8748 -5.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0171 -5.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8748 -7.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5894 -6.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 -7.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5894 -5.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5894 -3.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5894 -4.3452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8748 -3.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8748 -4.7577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1604 -3.5202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1604 -4.3452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3038 -3.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 -4.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 -4.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 -3.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7314 -3.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8736 -8.4703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5882 -8.8828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3026 -7.6453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5880 -7.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3026 -8.4700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8736 -7.6453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0171 -8.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 -9.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1592 -8.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1592 -7.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 -7.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3027 -10.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3026 -10.9453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0171 -9.7076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7315 -10.1201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7315 -10.9451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0171 -11.3578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4460 -9.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4462 -11.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0173 -12.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 -11.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3026 -5.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 1 1 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 1 0 0 0 6 8 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 9 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 20 23 1 1 0 0 0 25 24 1 0 0 0 0 26 34 1 1 0 0 0 27 26 1 0 0 0 0 27 33 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 7 1 1 0 0 0 29 31 1 0 0 0 0 30 27 1 0 0 0 0 30 32 1 6 0 0 0 31 26 1 0 0 0 0 31 35 1 1 0 0 0 35 36 1 0 0 0 0 38 37 1 0 0 0 0 38 46 1 6 0 0 0 39 37 1 0 0 0 0 39 32 1 1 0 0 0 39 40 1 0 0 0 0 40 43 1 1 0 0 0 40 41 1 0 0 0 0 41 44 1 6 0 0 0 41 42 1 0 0 0 0 42 38 1 0 0 0 0 42 45 1 6 0 0 0 M END $$$$ 150813_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 18.8729 -15.8430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0217 -15.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8729 -17.1929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0271 -17.8525 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7356 -17.8432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7469 -19.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5754 -17.1835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4267 -17.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5527 -15.8736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7128 -15.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4126 -15.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2552 -15.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1678 -15.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3216 -15.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0230 -19.1825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1755 -19.8464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3519 -19.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1715 -21.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3239 -21.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0349 -21.8310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0309 -23.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8825 -21.1671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8865 -19.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7260 -21.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7247 -23.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4763 -15.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5162 -19.8201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6624 -19.1374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6442 -17.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8267 -19.7886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.9729 -19.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8449 -21.1225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.0092 -21.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6987 -21.8053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5344 -21.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7169 -23.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8812 -23.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 13 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 11 1 1 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 15 4 1 1 0 0 0 16 15 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 20 18 1 0 0 0 0 20 21 1 6 0 0 0 22 20 1 0 0 0 0 22 24 1 1 0 0 0 23 15 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 27 17 1 1 0 0 0 28 27 1 0 0 0 0 28 29 1 1 0 0 0 30 28 1 0 0 0 0 30 31 1 1 0 0 0 32 30 1 0 0 0 0 32 33 1 6 0 0 0 34 32 1 0 0 0 0 34 36 1 1 0 0 0 35 27 1 0 0 0 0 35 34 1 0 0 0 0 37 36 1 0 0 0 0 M END $$$$ 150814_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 16.8109 -7.3612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5214 -6.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8109 -8.1960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5247 -8.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1076 -8.5981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1145 -9.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3900 -8.1901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6796 -8.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3760 -7.3801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0934 -6.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6709 -6.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9551 -7.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2302 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9437 -6.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5222 -9.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2349 -9.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9624 -9.4180 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.2325 -10.6595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9451 -11.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5295 -11.0644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5270 -11.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8169 -10.6538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8194 -9.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1016 -11.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1008 -11.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6578 -7.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6825 -9.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3914 -9.3986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3801 -8.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1114 -9.8013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8203 -9.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1226 -10.6262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8427 -11.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4138 -11.0485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6938 -10.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4251 -11.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1451 -12.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 13 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 11 1 1 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 15 4 1 1 0 0 0 16 15 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 19 1 1 0 0 0 20 18 1 0 0 0 0 20 21 1 6 0 0 0 22 20 1 0 0 0 0 22 24 1 1 0 0 0 23 15 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 27 17 1 1 0 0 0 28 27 1 0 0 0 0 28 29 1 1 0 0 0 30 28 1 0 0 0 0 30 31 1 1 0 0 0 32 30 1 0 0 0 0 32 33 1 6 0 0 0 34 32 1 0 0 0 0 34 36 1 1 0 0 0 35 27 1 0 0 0 0 35 34 1 0 0 0 0 37 36 1 0 0 0 0 M END $$$$ 150899_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 1 0 0 0 2 1 1 0 0 0 0 2 19 1 1 0 0 0 3 9 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 5 17 1 6 0 0 0 6 1 1 0 0 0 0 6 21 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 6 0 0 0 10 12 1 0 0 0 0 10 13 1 6 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 1 0 0 0 12 14 1 0 0 0 0 16 18 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END $$$$ 150901_p OpenBabel02171217032D 49 51 0 0 0 0 0 0 0 0999 V2000 8.2007 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -7.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9151 -7.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9151 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2007 -8.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4862 -8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7718 -6.7623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2006 -9.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7717 -8.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -6.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0574 -7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -5.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 -5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4059 -3.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 -5.6398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4061 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 -5.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6915 -4.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9773 -3.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9773 -5.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 -4.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 -3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 -3.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 -3.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7026 -7.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3092 -6.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8836 -8.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9952 -9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -9.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7096 -9.9476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7096 -10.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9952 -11.1852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2807 -10.7726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5663 -9.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9951 -12.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 -11.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -9.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 -9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 -9.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 -8.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4971 -10.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -9.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 -10.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 -4.4023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6115 -3.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9080 -4.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5146 -4.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 -5.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 6 0 0 0 3 26 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 21 1 1 0 0 0 19 18 1 0 0 0 0 19 15 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 6 0 0 0 20 22 1 0 0 0 0 20 23 1 1 0 0 0 22 24 1 0 0 0 0 27 26 2 0 0 0 0 28 26 1 0 0 0 0 30 29 1 0 0 0 0 30 38 1 6 0 0 0 30 34 1 0 0 0 0 31 29 1 0 0 0 0 31 32 1 0 0 0 0 31 8 1 6 0 0 0 31 42 1 0 0 0 0 33 32 1 0 0 0 0 33 36 1 1 0 0 0 34 33 1 0 0 0 0 34 37 1 1 0 0 0 35 30 1 0 0 0 0 35 41 1 1 0 0 0 35 40 1 0 0 0 0 40 39 1 0 0 0 0 43 42 2 0 0 0 0 44 42 1 0 0 0 0 45 15 1 0 0 0 0 45 14 1 0 0 0 0 45 46 1 6 0 0 0 45 47 1 0 0 0 0 48 47 2 0 0 0 0 49 47 1 0 0 0 0 M END $$$$ 150908_p OpenBabel02171217032D 63 66 0 0 0 0 0 0 0 0999 V2000 9.3717 -5.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6572 -6.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0861 -6.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0861 -7.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3717 -7.6359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6572 -7.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9428 -5.9857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3716 -8.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9427 -7.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6572 -5.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5139 -5.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2284 -6.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9428 -5.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2915 -4.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5769 -3.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5771 -4.8632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5771 -5.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -4.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2915 -3.6257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8625 -3.6257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1483 -3.2132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1483 -4.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4334 -3.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7193 -3.2126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 -3.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5771 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2915 -2.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8738 -2.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8640 -3.2132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8640 -4.0382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1494 -2.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1494 -4.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4350 -3.2132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4350 -4.0382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5784 -2.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5784 -4.4507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1494 -5.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7205 -4.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7205 -2.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8736 -6.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4802 -6.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0546 -7.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7205 -5.2757 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 -5.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4350 -5.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7968 -6.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4364 -2.8007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4364 -3.6257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7218 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7218 -4.0382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0074 -2.8007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0074 -3.6257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1508 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1508 -4.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7218 -4.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2929 -4.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2929 -2.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1508 -1.5632 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.8652 -1.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4363 -1.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9477 -1.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 6 0 0 0 3 42 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 22 1 1 0 0 0 19 15 1 0 0 0 0 19 14 1 0 0 0 0 19 26 1 6 0 0 0 19 28 1 0 0 0 0 20 18 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 1 0 0 0 23 25 1 0 0 0 0 26 41 1 0 0 0 0 28 27 1 0 0 0 0 28 29 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 1 0 0 0 32 34 1 0 0 0 0 32 38 1 6 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 39 1 1 0 0 0 35 36 1 0 0 0 0 35 41 1 1 0 0 0 36 40 1 6 0 0 0 37 59 1 0 0 0 0 40 45 1 0 0 0 0 43 42 2 0 0 0 0 44 42 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 45 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 6 0 0 0 50 52 1 0 0 0 0 50 56 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 53 54 1 0 0 0 0 53 59 1 1 0 0 0 54 58 1 6 0 0 0 55 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 60 63 1 0 0 0 0 M END $$$$ 150909_p OpenBabel02171217032D 63 66 0 0 0 0 0 0 0 0999 V2000 24.5027 -9.4238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5027 -10.2488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7883 -9.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7883 -10.6613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0739 -9.4238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0739 -10.2488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2171 -9.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2171 -10.6613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7883 -11.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3593 -10.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3593 -9.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6449 -9.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2171 -11.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9317 -11.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5027 -11.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6462 -8.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9318 -6.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9318 -7.7738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2171 -6.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2171 -8.1863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5027 -6.9488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5027 -7.7738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6031 -6.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7883 -8.1863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7883 -6.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0738 -11.8988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0738 -12.7238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3593 -11.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3593 -13.1363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6448 -11.8988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6448 -12.7238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.7883 -13.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3593 -13.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9302 -13.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9302 -11.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2158 -11.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9302 -10.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2158 -13.5488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2158 -14.3738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5014 -13.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5014 -14.7863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7869 -13.5488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7869 -14.3738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9302 -14.7863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5014 -15.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0724 -14.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0724 -13.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3580 -13.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9302 -15.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6448 -16.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2158 -16.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6449 -6.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0738 -6.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9302 -9.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6449 -7.7738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0738 -7.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9302 -8.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3593 -8.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9304 -6.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2158 -6.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9304 -5.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2158 -7.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2366 -13.5419 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 1 0 0 0 18 20 1 0 0 0 0 18 16 1 6 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 7 1 1 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 24 1 6 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 9 1 6 0 0 0 27 29 1 0 0 0 0 27 32 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 1 0 0 0 31 34 1 1 0 0 0 35 37 2 0 0 0 0 36 35 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 34 1 6 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 6 0 0 0 44 49 1 0 0 0 0 48 47 1 0 0 0 0 48 63 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 52 59 1 0 0 0 0 55 52 1 6 0 0 0 56 24 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 57 55 1 0 0 0 0 57 62 1 0 0 0 0 58 55 1 0 0 0 0 58 56 1 0 0 0 0 60 59 2 0 0 0 0 61 59 1 0 0 0 0 A 63 H M RAD 1 17 2 M END $$$$ 150910_p OpenBabel02171217032D 73 77 0 0 0 0 0 0 0 0999 V2000 19.3334 -21.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3334 -22.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6188 -21.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6188 -22.7445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9044 -21.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9044 -22.3320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0478 -21.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0478 -22.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6188 -23.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -22.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -21.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4754 -21.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7623 -19.0319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7623 -19.8569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0478 -18.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0478 -20.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3334 -19.0319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3334 -19.8569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4768 -18.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4767 -20.2695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6189 -20.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6189 -18.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9044 -19.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1913 -16.5569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1913 -17.3819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4768 -16.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4768 -17.7944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7624 -16.5569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7624 -17.3819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9058 -16.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9058 -17.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0479 -17.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0479 -16.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7637 -16.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7637 -16.9694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0492 -15.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0492 -17.3819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.3348 -16.1444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3348 -16.9694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5315 -16.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4782 -17.3819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0492 -18.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6203 -17.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6203 -15.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0479 -15.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3286 -14.9153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6191 -15.3362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3190 -14.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8998 -14.9321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5997 -13.6863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8901 -14.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6287 -16.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1902 -15.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1709 -13.7030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5900 -12.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5985 -14.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0275 -14.9405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4563 -14.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3130 -12.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0275 -14.1155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4563 -14.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3130 -13.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7419 -13.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3130 -15.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5985 -14.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3130 -16.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1201 -21.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4782 -18.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1927 -18.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4767 -21.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1912 -21.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7637 -18.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7622 -21.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 12 67 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 20 70 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 19 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 30 44 1 0 0 0 0 33 45 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 1 0 0 0 35 37 1 0 0 0 0 35 41 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 1 0 0 0 38 39 1 0 0 0 0 38 44 1 1 0 0 0 39 43 1 6 0 0 0 41 68 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 45 1 1 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 62 1 0 0 0 0 57 64 1 0 0 0 0 60 57 1 6 0 0 0 61 58 2 0 0 0 0 61 54 1 0 0 0 0 62 59 2 0 0 0 0 62 60 1 0 0 0 0 63 60 1 0 0 0 0 63 61 1 0 0 0 0 65 64 2 0 0 0 0 66 64 1 0 0 0 0 68 69 1 0 0 0 0 68 72 2 0 0 0 0 70 71 1 0 0 0 0 70 73 2 0 0 0 0 M RAD 1 34 2 M END $$$$ 150929_p OpenBabel02171217032D 22 22 0 0 0 0 0 0 0 0999 V2000 11.0965 -8.1990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0965 -9.0239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3820 -7.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3820 -9.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6676 -8.1990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6676 -9.0239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8108 -7.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8108 -9.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3820 -10.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9531 -9.4364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9531 -7.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5252 -9.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 -9.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8071 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8071 -8.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 -9.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -8.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5253 -8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2397 -7.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9542 -8.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5216 -9.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2346 -8.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 13 21 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 14 1 0 0 0 0 M END $$$$ 150930_p OpenBabel02171217032D 32 33 0 0 0 0 0 0 0 0999 V2000 12.1365 -4.2546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1365 -5.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4220 -3.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4220 -5.4920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7076 -4.2546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7076 -5.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8509 -3.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8509 -5.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4220 -6.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9931 -5.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9931 -3.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5654 -5.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2756 -5.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -5.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -4.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2606 -5.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 -4.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5654 -4.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2798 -3.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9944 -4.2546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5615 -5.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2746 -4.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7088 -3.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7089 -3.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4234 -4.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1378 -3.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8523 -4.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2813 -4.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2813 -5.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5668 -3.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5668 -5.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8523 -5.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 13 21 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 21 14 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 29 28 1 0 0 0 0 30 28 2 0 0 0 0 31 29 2 0 0 0 0 32 31 1 0 0 0 0 32 27 2 0 0 0 0 M END $$$$ 150931_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 11.8311 -7.0357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8311 -7.8607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1165 -6.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 -8.2732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4021 -7.0357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4021 -7.8607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5454 -6.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5454 -8.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 -9.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 -8.2732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 -6.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2599 -7.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 -7.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5415 -7.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5415 -7.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9551 -8.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 -7.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2599 -7.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9743 -6.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6889 -7.0357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 -8.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9691 -7.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4033 -6.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4034 -5.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1179 -7.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8323 -6.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5468 -7.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9758 -7.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9758 -7.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2613 -6.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2613 -8.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5468 -7.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8311 -10.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 -10.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 -11.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8311 -11.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 -11.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1166 -10.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8311 -9.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 -9.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 13 21 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 21 14 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 29 28 1 0 0 0 0 30 28 2 0 0 0 0 31 29 2 0 0 0 0 32 31 1 0 0 0 0 32 27 2 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 33 2 0 0 0 0 38 37 1 0 0 0 0 39 33 1 0 0 0 0 40 39 2 0 0 0 0 M END $$$$ 150932_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 10.5902 -7.1659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5902 -7.9909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8757 -6.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 -8.4034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1613 -7.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1613 -7.9909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3046 -6.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3046 -8.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 -9.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 -6.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0190 -7.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0191 -7.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7335 -6.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4480 -7.1659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1625 -6.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1626 -5.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8770 -7.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5915 -6.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3060 -7.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7350 -7.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7350 -7.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0204 -6.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0204 -8.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3060 -7.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5902 -10.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -10.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -11.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5902 -12.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 -11.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8758 -10.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5902 -9.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -9.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 -8.4034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7324 -7.9908 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0179 -7.5783 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 33 1 6 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 31 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 21 20 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 24 19 2 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 25 2 0 0 0 0 30 29 1 0 0 0 0 31 25 1 0 0 0 0 32 31 2 0 0 0 0 34 33 2 0 0 0 0 35 34 2 0 0 0 0 M CHG 2 34 1 35 -1 M END $$$$ 150933_p OpenBabel02171217032D 33 34 0 0 0 0 0 0 0 0999 V2000 13.5644 -5.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8496 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1348 -5.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 -5.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4201 -6.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1348 -6.6788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8496 -6.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7327 -5.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7601 -6.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1348 -7.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5644 -6.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1451 -8.1085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4577 -7.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1451 -8.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8324 -8.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 -8.1085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4577 -9.3456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5197 -8.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 -8.9332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4577 -10.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0282 -7.6686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2919 -8.0403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5648 -7.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 -7.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0864 -6.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2213 -8.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0282 -9.3456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0282 -10.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2859 -10.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 -10.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8575 -9.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7346 -7.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 11 1 6 0 0 0 8 12 1 0 0 0 0 13 14 1 0 0 0 0 13 10 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 1 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 32 2 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 1 0 0 0 18 21 1 6 0 0 0 18 20 1 0 0 0 0 20 28 1 1 0 0 0 22 23 1 0 0 0 0 22 26 1 1 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 24 25 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 M END $$$$ 150935_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 0.5414 -0.9854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5414 -1.8104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1732 -0.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -2.2229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8876 -0.9854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8876 -1.8104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2558 -0.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 -2.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -3.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -2.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3165 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 -0.1604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6848 1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 -0.5729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9703 0.6646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9703 -0.1604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1137 1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1137 -0.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 -1.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 1.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 0.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 2.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 2.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 3.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3165 3.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 2.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 30 1 0 0 0 0 26 24 2 0 0 0 0 27 25 2 0 0 0 0 27 31 1 0 0 0 0 28 26 1 0 0 0 0 28 33 1 0 0 0 0 29 27 1 0 0 0 0 29 28 2 0 0 0 0 31 32 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 12 1 0 0 0 0 35 36 2 0 0 0 0 M END $$$$ 150937_p OpenBabel02171217032D 43 44 0 0 0 0 0 0 0 0999 V2000 13.9699 -8.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2555 -8.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2555 -9.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 -9.6961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8265 -9.2836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5410 -8.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8266 -8.4586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5530 -10.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2555 -7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 -7.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9701 -7.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1120 -9.6960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1119 -10.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3974 -10.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8264 -10.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1121 -8.0461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1122 -7.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 -8.4585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6832 -8.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 -9.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8266 -7.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 -7.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7100 -10.0837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7100 -10.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9955 -11.3212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2810 -10.9087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9955 -9.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 -10.0837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0075 -12.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7100 -9.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9955 -8.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 -8.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5665 -11.3210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5664 -12.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 -12.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2809 -12.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -9.6712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5667 -8.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 -10.0835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1377 -9.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 -10.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 -9.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1373 -8.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 1 0 0 0 0 2 9 1 0 0 0 0 4 3 1 0 0 0 0 4 8 1 6 0 0 0 5 4 1 0 0 0 0 5 12 1 1 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 7 6 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 1 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 6 0 0 0 19 22 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 1 0 0 0 23 20 1 6 0 0 0 25 24 1 0 0 0 0 25 29 1 6 0 0 0 26 25 1 0 0 0 0 26 33 1 1 0 0 0 27 23 1 0 0 0 0 28 26 1 0 0 0 0 28 27 1 0 0 0 0 28 37 1 0 0 0 0 28 42 1 1 0 0 0 31 30 2 0 0 0 0 32 30 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 6 0 0 0 40 43 1 0 0 0 0 M END $$$$ 150938_p OpenBabel02171217032D 27 28 0 0 0 0 0 0 0 0999 V2000 14.3513 -4.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3513 -5.5962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6369 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6369 -6.0087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9224 -4.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9224 -5.5962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0658 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0658 -6.0087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6368 -6.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2079 -6.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2079 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4934 -4.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0688 -6.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7847 -7.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3558 -7.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4935 -6.4212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4935 -7.2462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7789 -6.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7789 -7.6587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0645 -6.4212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0645 -7.2462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2079 -7.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7789 -8.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -7.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -6.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 -6.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7845 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 27 1 0 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 M END $$$$ 150939_p OpenBabel02171217032D 51 54 0 0 0 0 0 0 0 0999 V2000 17.2787 -3.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2787 -4.6866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5641 -3.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5641 -5.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8497 -3.8616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8497 -4.6866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9931 -3.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9931 -5.0991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5641 -5.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1352 -5.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1352 -3.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4208 -3.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9918 -7.9866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9918 -8.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2772 -7.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 -9.2241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5628 -7.9866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5628 -8.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7062 -7.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 -9.2241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 -10.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8483 -9.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8483 -7.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -7.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7092 -10.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4252 -10.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9962 -10.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -9.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1339 -10.4616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4193 -9.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4193 -10.8741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7049 -9.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7049 -10.4616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8483 -10.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4193 -11.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 -10.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 -9.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 -9.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4208 -5.5116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4208 -6.3366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7062 -5.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 -6.7491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9918 -5.5116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9918 -6.3366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1352 -6.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2773 -6.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2773 -5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5628 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9961 -5.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7121 -6.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2831 -6.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 49 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 20 25 1 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 22 1 1 0 0 0 29 31 1 0 0 0 0 29 34 1 6 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 1 0 0 0 33 36 1 1 0 0 0 38 37 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 10 1 1 0 0 0 40 42 1 0 0 0 0 40 45 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 19 1 1 0 0 0 43 44 1 0 0 0 0 43 47 1 1 0 0 0 44 46 1 1 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 M END $$$$ 150940_p OpenBabel02171217032D 52 55 0 0 0 0 0 0 0 0999 V2000 17.2787 -3.8616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2787 -4.6866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5641 -3.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5641 -5.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8497 -3.8616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8497 -4.6866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9931 -3.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9931 -5.0991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5641 -5.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1352 -5.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1352 -3.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4208 -3.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9918 -7.9866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9918 -8.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2772 -7.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 -9.2241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5628 -7.9866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5628 -8.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7062 -7.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 -9.2241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 -10.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8483 -9.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8483 -7.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -7.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7092 -10.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4252 -10.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9962 -10.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -9.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1339 -10.4616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4193 -9.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4193 -10.8741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7049 -9.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7049 -10.4616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8483 -10.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4193 -11.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 -10.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 -9.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 -9.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4208 -5.5116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4208 -6.3366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7062 -5.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 -6.7491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9918 -5.5116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9918 -6.3366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1352 -6.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2773 -6.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2773 -5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5628 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9961 -5.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7121 -6.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2831 -6.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7067 -3.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 52 1 0 0 0 0 8 49 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 20 25 1 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 22 1 1 0 0 0 29 31 1 0 0 0 0 29 34 1 6 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 1 0 0 0 33 36 1 1 0 0 0 38 37 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 10 1 1 0 0 0 40 42 1 0 0 0 0 40 45 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 19 1 1 0 0 0 43 44 1 0 0 0 0 43 47 1 1 0 0 0 44 46 1 1 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 M END $$$$ 150941_p OpenBabel02171217032D 77 82 0 0 0 0 0 0 0 0999 V2000 15.0592 -3.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0592 -4.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3447 -3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3447 -4.8109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6302 -3.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6302 -4.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7737 -3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7737 -4.8109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3447 -5.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9158 -4.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9158 -3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2013 -3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7767 -5.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4926 -6.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0637 -6.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2013 -5.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2013 -6.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4868 -4.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4868 -6.4609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7724 -5.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7724 -6.0484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9158 -6.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4868 -7.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 -6.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 -4.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3434 -5.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7723 -7.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7723 -8.5234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0578 -7.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0578 -8.9359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3433 -7.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3433 -8.5234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4868 -8.9359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0578 -9.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6289 -8.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6289 -7.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9144 -7.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 -11.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4854 -12.6484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7709 -11.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 -13.0609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0564 -11.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0564 -12.6484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1999 -11.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 -13.0609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 -13.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -13.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -11.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -11.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -13.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9188 -14.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4899 -14.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -13.4734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6275 -14.2984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9130 -13.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -14.7109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1986 -13.4734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1986 -14.2984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3420 -14.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -15.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 -14.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 -13.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7696 -13.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9144 -9.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9144 -10.1734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1999 -8.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 -10.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4855 -9.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4855 -10.1734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6289 -10.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -10.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -8.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 -9.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4898 -9.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2057 -10.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7768 -10.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4901 -3.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 77 1 0 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 23 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 6 0 0 0 33 74 1 0 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 1 0 0 0 39 41 1 0 0 0 0 39 45 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 43 1 0 0 0 0 42 48 1 1 0 0 0 43 47 1 6 0 0 0 45 50 1 0 0 0 0 49 48 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 47 1 1 0 0 0 54 56 1 0 0 0 0 54 59 1 6 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 56 60 1 1 0 0 0 57 58 1 0 0 0 0 57 62 1 1 0 0 0 58 61 1 1 0 0 0 63 62 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64 35 1 1 0 0 0 65 67 1 0 0 0 0 65 70 1 6 0 0 0 66 68 1 0 0 0 0 67 69 1 0 0 0 0 67 44 1 1 0 0 0 68 69 1 0 0 0 0 68 72 1 1 0 0 0 69 71 1 1 0 0 0 73 72 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 M END $$$$ 150942_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 16.7390 -16.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5292 -16.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4909 -17.3155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9714 -17.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6296 -17.3155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1611 -17.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3925 -16.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0752 -16.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6181 -16.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9955 -16.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1997 -16.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -15.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2459 -15.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5834 -17.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5461 -13.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7717 -13.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1340 -13.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3135 -14.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0878 -14.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7105 -14.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6136 -12.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1687 -12.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0107 -11.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 9 1 6 0 0 0 8 1 1 0 0 0 0 8 7 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 11 2 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 19 18 2 0 0 0 0 20 15 2 0 0 0 0 20 19 1 0 0 0 0 21 16 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 M END $$$$ 150943_p OpenBabel02171217032D 25 26 0 0 0 0 0 0 0 0999 V2000 29.5591 -12.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5591 -12.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8445 -11.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8445 -13.3739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.1301 -12.1364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1301 -12.9614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2735 -11.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2735 -13.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8445 -14.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4156 -13.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4156 -11.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7012 -12.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9867 -11.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2722 -12.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9867 -10.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2722 -10.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2722 -9.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9868 -8.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9868 -9.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2722 -8.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5578 -8.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5578 -9.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2722 -7.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7012 -8.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7012 -7.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 18 24 1 0 0 0 0 19 18 1 0 0 0 0 20 18 2 0 0 0 0 20 23 1 0 0 0 0 21 20 1 0 0 0 0 22 17 1 0 0 0 0 22 21 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 150945_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 10.6202 -5.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6202 -6.0557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9058 -4.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 -6.4682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1914 -5.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1914 -6.0557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3348 -4.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3348 -6.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 -7.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -6.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -4.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 -5.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 -7.7056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1914 -8.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4768 -7.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -8.9430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7626 -7.7056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7626 -8.5306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9058 -8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -9.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -7.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3335 -7.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0492 -7.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7636 -8.1181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0492 -6.8806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7636 -6.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4781 -6.8807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4781 -7.7057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7639 -5.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1925 -6.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1925 -8.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7636 -8.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7639 -2.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0493 -2.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0493 -3.5808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3348 -2.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3348 -3.9932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6204 -2.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6204 -3.5808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7639 -3.9932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -3.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 -2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4781 -3.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4781 -2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1927 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 34 1 1 0 0 0 36 38 1 0 0 0 0 36 41 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 7 1 1 0 0 0 39 40 1 0 0 0 0 39 43 1 1 0 0 0 40 42 1 1 0 0 0 41 45 1 0 0 0 0 44 43 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 M END $$$$ 150946_p OpenBabel02171217032D 27 28 0 0 0 0 0 0 0 0999 V2000 8.9042 -19.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9042 -20.0485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1897 -18.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 -20.4610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4753 -19.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4753 -20.0485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6187 -18.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6187 -20.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 -21.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 -20.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 -18.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0463 -19.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7621 -17.5735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7621 -18.3985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0476 -17.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0476 -18.8110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3332 -17.5735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3332 -18.3985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4766 -17.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4766 -18.8110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0476 -19.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6187 -17.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -17.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4766 -19.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1911 -20.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7621 -20.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1911 -17.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 6 0 0 0 19 27 1 0 0 0 0 20 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 26 24 2 0 0 0 0 M END $$$$ 150947_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 9.9166 -4.9793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9166 -5.8043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2022 -4.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2022 -6.2168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4878 -4.9793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4878 -5.8043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6311 -4.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6311 -6.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2022 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 -6.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 -4.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0588 -4.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4878 -7.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4878 -8.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7732 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 -8.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0588 -7.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0588 -8.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2022 -8.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 -9.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3444 -8.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3444 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6298 -7.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2022 -9.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -9.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4878 -9.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4890 -2.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7745 -3.3293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7745 -4.1543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0599 -2.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0599 -4.5668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3455 -3.3293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3455 -4.1543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4890 -4.5668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6311 -2.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 -3.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2033 -4.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2033 -3.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9178 -4.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 -5.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 -7.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0434 -8.3602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0436 -6.9312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8685 -6.9312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2810 -7.6458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8685 -8.3604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2813 -6.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1059 -7.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2809 -9.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6309 -9.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 27 1 1 0 0 0 29 31 1 0 0 0 0 29 34 1 6 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 40 1 1 0 0 0 32 33 1 0 0 0 0 32 35 1 1 0 0 0 33 7 1 6 0 0 0 34 37 1 0 0 0 0 36 35 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 42 41 1 0 0 0 0 42 50 1 6 0 0 0 43 41 1 0 0 0 0 43 44 1 0 0 0 0 43 8 1 1 0 0 0 44 47 1 1 0 0 0 44 45 1 0 0 0 0 45 48 1 6 0 0 0 45 46 1 0 0 0 0 46 42 1 0 0 0 0 46 49 1 6 0 0 0 M END $$$$ 150948_p OpenBabel02171217032D 22 23 0 0 0 0 0 0 0 0999 V2000 11.7273 -1.6898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7273 -2.5148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0127 -1.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0127 -2.9273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2983 -1.6898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2983 -2.5148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4417 -1.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 -2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0127 -3.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5838 -2.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5838 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8693 -1.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7272 -4.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7272 -4.9897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4417 -3.7522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1561 -4.1647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1561 -4.9897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4416 -5.4022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8706 -3.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8705 -5.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4416 -6.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0127 -5.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 14 22 1 6 0 0 0 15 13 1 0 0 0 0 15 8 1 1 0 0 0 15 16 1 0 0 0 0 16 19 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 6 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 18 21 1 6 0 0 0 M END $$$$ 150950_p OpenBabel02171217032D 82 88 0 0 0 0 0 0 0 0999 V2000 6.0584 -9.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 -8.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -7.6030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8769 -8.8405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1625 -9.2530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4478 -8.8405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4479 -8.0155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1622 -10.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -9.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 -7.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -6.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4536 -10.5841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4536 -11.4091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7392 -10.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -11.8216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0248 -10.5841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0248 -11.4091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1681 -10.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1681 -11.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -12.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 -11.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 -10.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5959 -10.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0248 -13.0589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0248 -13.8839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3102 -12.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 -14.2964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5959 -13.0589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5959 -13.8839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7392 -14.2964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 -15.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -14.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -12.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -13.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8825 -13.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 -13.4714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8825 -12.2339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5969 -11.8214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3115 -12.2341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3115 -13.0591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5972 -10.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0259 -11.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0259 -13.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 -14.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -15.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 -15.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0248 -15.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5972 -7.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8827 -8.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8827 -8.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1681 -7.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1681 -9.3466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4537 -8.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4537 -8.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5972 -9.3466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7393 -7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0247 -8.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3118 -5.6343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3118 -6.4593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5972 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5972 -6.8716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8828 -5.6343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8828 -6.4593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0264 -6.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1684 -6.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1684 -5.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 -5.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3116 -8.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3116 -8.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0262 -9.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1699 -3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1699 -4.8093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4553 -3.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4553 -5.2218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7409 -3.9843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7409 -4.8093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8843 -3.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8843 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4553 -6.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 -3.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3119 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 3 11 1 6 0 0 0 4 2 1 0 0 0 0 4 1 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 6 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 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1 0 0 0 76 77 1 0 0 0 0 76 81 1 1 0 0 0 77 58 1 6 0 0 0 82 81 1 0 0 0 0 M END $$$$ 150951_p OpenBabel02171217032D 82 88 0 0 0 0 0 0 0 0999 V2000 11.0264 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1699 -3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1699 -4.8093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4553 -3.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4553 -5.2218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7409 -3.9843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7409 -4.8093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8843 -3.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8843 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4553 -6.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 -3.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3119 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -10.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 -11.6006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8980 -10.8862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3105 -11.6006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8978 -12.3151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0728 -12.3151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1353 -11.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3103 -13.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 -13.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 -11.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 -10.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -8.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3104 -9.3466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0249 -8.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5959 -8.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3104 -7.6968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5959 -8.1094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8816 -9.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -7.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3103 -6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5959 -6.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -8.9344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4527 -9.3469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1670 -8.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 -8.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4526 -7.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7381 -8.1094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4527 -10.1718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -9.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -7.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 -6.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -6.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -10.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -11.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 -10.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7393 -9.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1682 -10.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5973 -7.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8828 -8.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8828 -8.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1682 -7.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1682 -9.3466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4538 -8.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4538 -8.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5973 -9.3466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7394 -7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3119 -5.6343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3119 -6.4593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5973 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5973 -6.8716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8829 -5.6343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8829 -6.4593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0264 -6.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1685 -6.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1685 -5.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4539 -5.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3117 -8.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3116 -8.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0262 -9.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7394 -6.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 -11.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 -12.2339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1682 -10.9966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8826 -11.4089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8826 -12.2341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1682 -12.6466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5972 -10.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5971 -12.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1683 -13.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7393 -12.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 1 1 6 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 14 22 1 6 0 0 0 15 13 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 1 0 0 0 16 19 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 6 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 18 21 1 6 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 1 0 0 0 25 27 1 0 0 0 0 25 23 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 1 0 0 0 28 29 1 0 0 0 0 28 32 1 1 0 0 0 29 31 1 1 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 30 1 6 0 0 0 35 37 1 0 0 0 0 35 40 1 6 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 1 0 0 0 38 39 1 0 0 0 0 38 43 1 1 0 0 0 39 42 1 1 0 0 0 40 45 1 0 0 0 0 44 43 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 50 1 1 0 0 0 52 54 1 0 0 0 0 52 57 1 6 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54 49 1 1 0 0 0 55 56 1 0 0 0 0 55 58 1 1 0 0 0 56 48 1 6 0 0 0 57 69 1 0 0 0 0 58 72 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 1 1 1 0 0 0 60 62 1 0 0 0 0 60 65 1 6 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 62 50 1 1 0 0 0 63 64 1 0 0 0 0 63 67 1 1 0 0 0 64 66 1 1 0 0 0 68 67 1 0 0 0 0 70 69 2 0 0 0 0 71 69 1 0 0 0 0 74 73 1 0 0 0 0 74 82 1 6 0 0 0 75 73 1 0 0 0 0 75 76 1 0 0 0 0 75 49 1 1 0 0 0 76 79 1 1 0 0 0 76 77 1 0 0 0 0 77 80 1 6 0 0 0 77 78 1 0 0 0 0 78 74 1 0 0 0 0 78 81 1 6 0 0 0 M END $$$$ 150952_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 9.6136 -5.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6136 -6.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8992 -4.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 -6.4664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1848 -5.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1848 -6.0539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3283 -4.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3283 -6.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 -7.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -6.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -4.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 -5.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -7.7038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1848 -8.5288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4702 -7.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -8.9412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7560 -7.7038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7560 -8.5288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8992 -8.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -9.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 -8.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 -7.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 -7.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0427 -7.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7571 -8.1163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0427 -6.8788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7571 -6.4663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4715 -6.8789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4715 -7.7039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7573 -5.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1859 -6.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1859 -8.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7571 -8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7573 -2.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0427 -2.7540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0427 -3.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3283 -2.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3283 -3.9914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6139 -2.7540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6139 -3.5790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7573 -3.9914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8995 -3.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8995 -2.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -2.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4715 -3.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4715 -2.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1861 -3.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 34 1 6 0 0 0 36 38 1 0 0 0 0 36 41 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 7 1 1 0 0 0 39 40 1 0 0 0 0 39 43 1 1 0 0 0 40 42 1 1 0 0 0 41 45 1 0 0 0 0 44 43 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 M END $$$$ 150953_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 8.0776 -3.8461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0776 -4.6711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3632 -3.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3632 -5.0836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6488 -3.8461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6488 -4.6711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7921 -3.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 -5.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3632 -5.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 -5.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 -3.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -3.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6488 -6.3209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6488 -7.1459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9342 -5.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 -7.5584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2200 -6.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2200 -7.1459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3632 -7.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 -8.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5054 -7.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5054 -5.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 -6.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6501 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9355 -2.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9355 -3.0212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2209 -1.7837 0.0000 O 0 0 0 0 0 0 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3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 24 1 1 0 0 0 26 28 1 0 0 0 0 26 31 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 37 1 1 0 0 0 29 30 1 0 0 0 0 29 32 1 1 0 0 0 30 7 1 6 0 0 0 31 34 1 0 0 0 0 33 32 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 39 38 1 0 0 0 0 39 47 1 6 0 0 0 40 38 1 0 0 0 0 40 41 1 0 0 0 0 40 8 1 1 0 0 0 41 44 1 1 0 0 0 41 42 1 0 0 0 0 42 45 1 6 0 0 0 42 43 1 0 0 0 0 43 39 1 0 0 0 0 43 46 1 6 0 0 0 M END $$$$ 151078_p OpenBabel02171217032D 32 32 0 0 0 0 0 0 0 0999 V2000 12.0293 0.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0293 -1.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0293 -0.7768 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8543 -0.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3938 0.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3148 -1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3148 -2.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6003 -2.4268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8859 -2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6003 -3.2518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0293 -3.2518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0293 -2.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3148 -3.6643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7438 -2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8859 -3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7437 -3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3148 -4.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5687 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3937 -3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5687 -3.6643 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.5687 -4.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8543 1.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 2.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8543 2.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1399 2.9357 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 12.7438 0.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0294 1.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0294 0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3149 0.4607 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 7 6 1 1 0 0 0 7 29 1 1 0 0 0 7 8 1 0 0 0 0 8 25 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 1 0 0 0 13 16 1 0 0 0 0 13 18 1 1 0 0 0 14 15 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 6 0 0 0 16 14 1 0 0 0 0 16 20 1 6 0 0 0 19 23 1 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 27 26 2 0 0 0 0 27 28 1 0 0 0 0 29 31 1 0 0 0 0 31 30 2 0 0 0 0 31 32 1 0 0 0 0 M END $$$$ 151079_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 6.6431 -52.7476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9244 -53.1528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6515 -51.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 -52.7329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9413 -51.5029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2226 -51.9080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3532 -53.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -53.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 -53.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -51.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 -50.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2396 -50.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 -52.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7822 -53.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5093 -51.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -52.7623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7991 -51.5323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0804 -51.9374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2110 -53.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7737 -54.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 -51.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8075 -50.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 -50.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -49.4772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8245 -49.0573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2534 -49.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -48.2323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2619 -48.2471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5517 -47.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1059 -49.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1229 -47.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5602 -47.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9806 -47.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9891 -47.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0690 -53.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0690 -54.0218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3544 -52.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3544 -54.4343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6400 -53.1968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6400 -54.0218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7834 -52.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7834 -54.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3544 -55.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9255 -54.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9255 -52.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6357 -55.6645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6273 -56.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9255 -55.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9086 -56.8946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2069 -55.6498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1984 -56.4748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -56.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9001 -57.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4798 -56.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4966 -55.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 -55.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 23 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 6 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 0 0 0 0 36 38 1 0 0 0 0 36 42 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 43 1 1 0 0 0 39 40 1 0 0 0 0 39 45 1 1 0 0 0 40 44 1 6 0 0 0 45 19 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 43 1 6 0 0 0 47 49 1 0 0 0 0 47 52 1 1 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 56 55 1 0 0 0 0 M END $$$$ 151081_p OpenBabel02171217032D 23 23 0 0 0 0 0 0 0 0999 V2000 16.5364 -19.1438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5364 -19.9687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8219 -18.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8219 -20.3812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1075 -19.1438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1075 -19.9687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2508 -18.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2509 -20.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8219 -21.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3930 -20.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3930 -18.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6785 -19.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6761 -18.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6761 -17.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0894 -18.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9635 -19.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3887 -19.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8139 -19.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4006 -17.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4029 -16.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1140 -17.8988 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 21.5274 -18.7328 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 20.8161 -19.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 16 13 1 0 0 0 0 16 7 1 0 0 0 0 17 13 1 0 0 0 0 17 15 1 0 0 0 0 18 15 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 14 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 151083_p OpenBabel02171217032D 58 61 0 0 0 0 0 0 0 0999 V2000 7.6213 -9.2085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9068 -9.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6213 -8.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1923 -9.2085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9068 -7.9710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1924 -8.3835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3357 -9.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9068 -10.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 -9.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4779 -7.9710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9068 -7.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4779 -7.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7655 -6.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1904 -6.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 -10.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -10.8586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7647 -11.2711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4791 -10.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0502 -10.8585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7647 -9.6211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0502 -10.0336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1937 -11.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7647 -12.0961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3357 -11.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7647 -8.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0502 -8.3836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4739 -8.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0474 -12.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0504 -13.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3315 -12.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 -12.5086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6226 -12.9211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3370 -11.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 -12.5085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6226 -11.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9081 -11.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0515 -12.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6226 -13.7461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1937 -12.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6226 -10.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 -10.0336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3318 -10.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9052 -14.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9083 -14.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1894 -13.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1950 -12.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4806 -12.9211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1950 -11.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7659 -12.5085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4805 -11.2711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7659 -11.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2284 -12.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4806 -13.7461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0515 -11.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4805 -10.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7632 -14.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7662 -14.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0473 -13.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 15 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 6 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 7 1 1 0 0 0 23 28 1 0 0 0 0 25 27 2 0 0 0 0 26 25 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 6 0 0 0 32 34 1 0 0 0 0 32 38 1 6 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 39 1 1 0 0 0 35 36 1 0 0 0 0 35 40 1 1 0 0 0 36 22 1 1 0 0 0 38 43 1 0 0 0 0 40 42 2 0 0 0 0 41 40 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 1 0 0 0 47 49 1 0 0 0 0 47 53 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 37 1 1 0 0 0 50 51 1 0 0 0 0 50 55 1 1 0 0 0 51 54 1 6 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 M RAD 1 46 2 M END $$$$ 151084_p OpenBabel02171217032D 39 40 0 0 0 0 0 0 0 0999 V2000 20.3847 -13.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3847 -14.6313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6702 -13.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6702 -15.0438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9557 -13.8063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9557 -14.6313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3491 -13.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0992 -15.0438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6702 -15.8688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2447 -15.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4943 -13.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1021 -15.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9552 -16.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9548 -17.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2408 -15.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8180 -16.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3891 -16.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5320 -14.6323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8173 -15.0445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8154 -15.8866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1047 -14.6289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3900 -15.0412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1066 -13.8153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3939 -13.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8212 -13.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5339 -13.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8231 -12.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5378 -12.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1105 -12.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 -16.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0952 -17.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3874 -15.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6688 -14.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9566 -15.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6643 -13.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8523 -12.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4847 -13.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1599 -14.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6729 -13.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 5 38 1 6 0 0 0 6 10 1 6 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 11 36 1 0 0 0 0 11 39 2 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 18 10 1 1 0 0 0 19 18 1 0 0 0 0 19 20 1 1 0 0 0 20 30 1 0 0 0 0 21 19 1 0 0 0 0 21 22 1 1 0 0 0 22 33 1 0 0 0 0 23 21 1 0 0 0 0 23 24 1 6 0 0 0 24 37 1 0 0 0 0 25 23 1 0 0 0 0 25 27 1 6 0 0 0 26 18 1 0 0 0 0 26 25 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 M RAD 1 1 2 M END $$$$ 151085_p OpenBabel02171217032D 33 34 0 0 0 0 0 0 0 0999 V2000 10.5940 -5.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5940 -6.8087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8795 -5.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -7.2212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1650 -5.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1650 -6.8087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3085 -5.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3085 -7.2212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -8.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -7.2212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -5.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7361 -6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0216 -7.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7361 -5.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3114 -8.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0274 -8.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5985 -8.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0230 -3.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0230 -4.3337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3085 -3.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3085 -4.7462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5941 -3.5087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5941 -4.3337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6530 -3.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7375 -4.7462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -4.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -3.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1651 -3.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8778 -2.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7404 -5.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4564 -5.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0274 -5.9912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 -8.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 15 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 1 0 0 0 19 21 1 0 0 0 0 19 25 1 6 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 7 1 1 0 0 0 22 23 1 0 0 0 0 22 27 1 1 0 0 0 23 26 1 6 0 0 0 25 30 1 0 0 0 0 27 29 2 0 0 0 0 28 27 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 M RAD 1 18 2 M END $$$$ 151527_p OpenBabel02171217032D 27 28 0 0 0 0 0 0 0 0999 V2000 9.3619 -6.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3619 -7.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0746 -7.7159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7871 -7.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7871 -6.4844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0746 -6.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4993 -6.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4975 -7.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0746 -8.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6474 -7.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6456 -6.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6432 -5.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 -4.0156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7908 -4.8406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4993 -5.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2120 -4.8406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2120 -4.0156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4993 -3.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 -3.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0746 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0721 -2.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9264 -5.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0764 -5.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9251 -6.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6398 -6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 -6.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 -6.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 6 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END $$$$ 151528_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 12.2979 -4.7461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2979 -5.5711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5834 -4.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5834 -5.9836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8689 -4.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8689 -5.5711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0123 -5.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5834 -6.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1545 -5.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1545 -4.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4401 -4.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0124 -4.3336 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 A 12 H M END $$$$ 151530_p OpenBabel02171217032D 24 25 0 0 0 0 0 0 0 0999 V2000 11.9440 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2296 -5.6346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2296 -6.4593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5149 -5.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5151 -6.8722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8007 -5.6346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8007 -6.4597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5151 -7.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 -6.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2747 -5.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 -6.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0862 -7.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3717 -8.1098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8007 -8.1098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8007 -8.9347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0862 -9.3472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3717 -8.9347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5151 -9.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0862 -10.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6574 -9.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6572 -7.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5151 -10.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3718 -10.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 -8.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 1 0 0 0 3 5 1 0 0 0 0 3 11 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 6 0 0 0 6 7 1 0 0 0 0 6 10 1 6 0 0 0 7 9 1 1 0 0 0 13 12 1 0 0 0 0 13 21 1 6 0 0 0 14 12 1 0 0 0 0 14 8 1 1 0 0 0 14 15 1 0 0 0 0 15 18 1 1 0 0 0 15 16 1 0 0 0 0 16 19 1 6 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 17 20 1 6 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 M END $$$$ 151531_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 1 0 0 0 1 4 1 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 8 1 0 0 0 0 4 3 1 0 0 0 0 4 12 1 6 0 0 0 5 2 1 0 0 0 0 5 7 1 1 0 0 0 6 5 1 0 0 0 0 6 3 1 0 0 0 0 11 7 1 0 0 0 0 M END $$$$ 151532_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 4.8190 -11.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 -11.9477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1045 -10.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 -12.3602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3901 -11.1227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3901 -11.9477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5335 -10.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -12.3602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 -13.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 -12.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 -10.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 -11.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -11.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -11.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9624 -12.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -8.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -9.4727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5336 -8.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5336 -9.8852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8191 -8.6477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8191 -9.4727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9625 -8.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -9.8852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 -9.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 -8.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 -8.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -9.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -8.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3915 -9.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 7 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 23 27 1 0 0 0 0 26 25 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 151533_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 9.4708 -10.9337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4708 -11.7587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7563 -10.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7563 -12.1712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0418 -10.9337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0418 -11.7587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1853 -10.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1853 -12.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7563 -12.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3274 -12.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3274 -10.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6129 -10.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 -8.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 -9.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1853 -8.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1853 -9.6962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4709 -8.4587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4709 -9.2837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6143 -8.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6143 -9.6962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7564 -9.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7564 -8.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -8.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3287 -9.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3287 -8.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0432 -9.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3288 -5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3288 -6.8087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6143 -5.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6143 -7.2212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8999 -5.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8999 -6.8087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0433 -5.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0433 -7.2212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 -7.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 -5.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4709 -5.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7577 -6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7577 -5.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4722 -7.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 20 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 19 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 34 38 1 0 0 0 0 37 36 1 0 0 0 0 39 38 2 0 0 0 0 40 38 1 0 0 0 0 M END $$$$ 151534_p OpenBabel02171217032D 78 84 0 0 0 0 0 0 0 0999 V2000 24.3835 -12.0820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.3835 -12.9070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6689 -11.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6689 -13.3195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9545 -12.0820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9545 -12.9070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0979 -11.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0979 -13.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6689 -14.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2400 -13.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2400 -11.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5256 -12.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8125 -9.6069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.8125 -10.4319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0979 -9.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0979 -10.8444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.3835 -9.6069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3835 -10.4319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.5269 -9.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5269 -10.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6690 -10.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6690 -9.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9545 -9.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2415 -7.1319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.2415 -7.9569 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-7.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7415 -7.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3126 -6.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0270 -6.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7415 -6.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6093 -6.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6091 -10.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2157 -10.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7901 -11.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 -12.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 -13.1867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6162 -13.1867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6162 -14.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 -14.4243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1872 -14.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4728 -12.7741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9016 -15.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4727 -14.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 -12.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -13.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4728 -11.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4036 -13.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0102 -12.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5846 -14.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -14.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5349 -11.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -10.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -11.6516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8205 -12.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -11.2391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5349 -10.4140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1059 -10.4140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3917 -10.0015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3917 -11.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 -10.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 -9.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -10.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -9.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5349 -9.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2495 -9.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -9.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 6 0 0 0 3 31 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 1 0 0 0 6 5 1 0 0 0 0 6 9 1 1 0 0 0 7 2 1 0 0 0 0 7 13 1 1 0 0 0 7 12 1 0 0 0 0 12 11 1 0 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 22 1 1 0 0 0 19 15 1 0 0 0 0 19 14 1 0 0 0 0 19 26 1 6 0 0 0 19 28 1 0 0 0 0 20 18 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 1 0 0 0 23 25 1 0 0 0 0 28 27 1 0 0 0 0 28 29 2 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 35 34 1 0 0 0 0 35 43 1 6 0 0 0 35 39 1 0 0 0 0 36 34 1 0 0 0 0 36 37 1 0 0 0 0 36 8 1 6 0 0 0 36 46 1 0 0 0 0 38 37 1 0 0 0 0 38 41 1 1 0 0 0 39 38 1 0 0 0 0 39 42 1 1 0 0 0 40 35 1 0 0 0 0 40 45 1 1 0 0 0 40 44 1 0 0 0 0 44 49 1 0 0 0 0 47 46 2 0 0 0 0 48 46 1 0 0 0 0 52 50 1 0 0 0 0 52 53 1 1 0 0 0 54 52 1 0 0 0 0 54 58 1 1 0 0 0 55 51 1 0 0 0 0 55 50 1 0 0 0 0 55 11 1 6 0 0 0 55 63 1 0 0 0 0 56 54 1 0 0 0 0 56 51 1 0 0 0 0 56 57 1 0 0 0 0 56 65 1 6 0 0 0 57 59 1 0 0 0 0 57 60 1 1 0 0 0 59 61 1 0 0 0 0 63 62 1 0 0 0 0 63 64 2 0 0 0 0 M END $$$$ 151770_p OpenBabel02171217032D 17 18 0 0 0 0 0 0 0 0999 V2000 3.8931 -3.0399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8931 -3.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 -2.6274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4642 -3.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 -1.8024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6076 -1.8024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3220 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -3.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 -2.6274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4642 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -1.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -2.6274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0352 -3.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -3.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 -2.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 5 1 0 0 0 0 3 4 1 1 0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 6 0 0 0 9 6 1 0 0 0 0 10 8 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 4 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 1 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M END $$$$ 151771_p OpenBabel02171217032D 17 18 0 0 0 0 0 0 0 0999 V2000 11.4887 -5.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4887 -5.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7742 -4.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 -6.3466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0597 -5.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0597 -5.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2032 -4.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2032 -6.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 -7.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 -6.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 -4.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6307 -5.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6307 -5.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8057 -5.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2151 -6.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3901 -6.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6244 -7.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 6 5 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 1 0 0 0 15 13 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 M END $$$$ 152206_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 1 0 0 0 11 12 1 0 0 0 0 M END $$$$ 152213_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 10.9309 -4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9309 -5.4362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2164 -4.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2164 -5.8486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5019 -4.6112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5019 -5.4362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6454 -4.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6454 -5.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2164 -6.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7874 -5.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7874 -4.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -4.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 -7.0861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5020 -7.9111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7874 -6.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -8.3236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0729 -7.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0730 -7.9111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2165 -8.3236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 -9.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3586 -8.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3584 -6.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 -7.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2165 -9.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9309 -9.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 -9.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 152214_p OpenBabel02171217032D 11 11 0 0 0 0 0 0 0 0999 V2000 7.9917 -6.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 -6.4949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7062 -6.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7062 -7.3198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -7.7323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2772 -7.3198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4205 -6.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4205 -7.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -8.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 -7.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5627 -6.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 11 1 6 0 0 0 3 1 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 5 9 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 10 1 6 0 0 0 M END $$$$ 152215_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 12.2470 -7.1121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2470 -7.9370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5325 -6.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5325 -8.3495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8181 -7.1121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8181 -7.9370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9615 -8.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5325 -9.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1037 -8.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1037 -6.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3891 -7.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9615 -6.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5326 -5.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6761 -4.6370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6761 -5.4620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9615 -4.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9615 -5.8745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2471 -4.6370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2471 -5.4620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3905 -4.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3905 -5.8745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5326 -4.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8181 -4.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3905 -6.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1048 -7.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6760 -7.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 15 21 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 12 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 1 0 0 0 19 13 1 1 0 0 0 21 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 152216_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 19.0380 -4.7833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0380 -5.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3235 -4.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3235 -6.0209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6090 -4.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6090 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7524 -4.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7524 -6.0209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3234 -6.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8946 -6.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8946 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1802 -4.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8958 -3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8958 -3.9584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1813 -2.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1813 -4.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4669 -3.1334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4669 -3.9584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6103 -2.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6103 -4.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1813 -5.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7524 -2.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0380 -3.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6103 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3247 -5.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8958 -5.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7524 -6.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4668 -7.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0379 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 8 27 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 7 1 6 0 0 0 20 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 152217_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 7.3576 -5.7601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3576 -6.5851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6430 -5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 -6.9976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9286 -5.7601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9286 -6.5851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0720 -6.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 -7.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 -6.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 -5.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4997 -5.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -3.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3589 -2.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3589 -3.6976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6444 -2.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6444 -3.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7879 -2.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 -3.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3589 -4.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 -3.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 -2.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 -4.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2155 -4.9351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5010 -3.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -5.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7866 -4.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7866 -4.9351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9299 -5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -6.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -3.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 -4.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 22 1 1 0 0 0 26 28 1 0 0 0 0 26 31 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 12 1 1 0 0 0 34 33 1 0 0 0 0 M END $$$$ 152218_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 9.9212 -3.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9212 -4.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2068 -3.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -4.9537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4924 -3.7162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4924 -4.5412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6357 -3.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6357 -4.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -5.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 -4.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 -3.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -3.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 -6.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4924 -7.0161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7778 -5.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 -7.4285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0634 -6.1911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0634 -7.0161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2068 -7.4285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 -8.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 -7.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 -5.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6344 -6.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3501 -6.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0645 -6.6036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3501 -5.3661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0645 -4.9536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7791 -5.3662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7791 -6.1912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0647 -4.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 -4.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 -6.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0645 -7.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -8.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9213 -8.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 -8.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 M END $$$$ 152219_p OpenBabel02171217032D 12 11 0 0 0 0 0 0 0 0999 V2000 9.3769 -5.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0442 -6.7654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3788 -6.7654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0460 -7.9159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3806 -7.9159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0479 -9.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0653 -5.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0460 -5.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3788 -9.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0479 -6.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3806 -10.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3769 -7.9159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 12 1 1 0 0 0 3 2 1 0 0 0 0 3 8 1 1 0 0 0 4 3 1 0 0 0 0 4 9 1 1 0 0 0 5 4 1 0 0 0 0 5 10 1 6 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 11 6 1 0 0 0 0 M END $$$$ 153192_p OpenBabel02171217032D 94101 0 0 0 0 0 0 0 0999 V2000 4.8091 -27.8711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8091 -28.6961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0945 -27.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0945 -29.1086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3801 -27.8711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3801 -28.6961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5235 -27.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5235 -29.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0945 -29.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -29.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -27.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -27.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3814 -27.4585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3814 -28.2835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6669 -27.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6669 -28.6960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9525 -27.4585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9525 -28.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0959 -27.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0959 -28.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6669 -29.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 -28.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 -27.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9538 -27.0460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9538 -27.8710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2393 -26.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2393 -28.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5248 -27.0460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5248 -27.8710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6683 -26.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6683 -28.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2393 -29.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8104 -28.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8104 -26.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5262 -26.6335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5262 -27.4585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8117 -26.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8117 -27.8710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0972 -26.6335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0972 -27.4585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2407 -26.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2407 -27.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8117 -28.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3827 -27.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3827 -26.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0986 -26.2210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0986 -27.0460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3840 -25.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3840 -27.4585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6696 -26.2210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6696 -27.0460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8130 -25.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8130 -27.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3840 -28.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9551 -27.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9551 -25.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -30.7906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4285 -30.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -30.7907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0959 -29.5211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7633 -30.0059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5480 -29.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9932 -31.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1983 -31.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5338 -32.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1213 -34.3062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8664 -33.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 -34.3063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5338 -33.0367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2013 -33.5215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9859 -33.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 -34.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6363 -34.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 -35.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4005 -29.5531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1456 -28.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2255 -29.5531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8130 -28.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4805 -28.7684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2651 -28.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7104 -30.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9155 -30.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2510 -30.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3854 -26.2210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6709 -25.8085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9564 -26.2210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2420 -25.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5275 -26.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0999 -25.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6709 -24.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9564 -27.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2420 -24.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8143 -26.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3854 -27.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 7 23 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 1 0 0 0 19 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 34 1 1 0 0 0 29 33 1 1 0 0 0 30 45 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 1 0 0 0 36 38 1 0 0 0 0 36 42 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 43 1 1 0 0 0 39 40 1 0 0 0 0 39 45 1 1 0 0 0 40 44 1 1 0 0 0 41 56 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 1 0 0 0 47 49 1 0 0 0 0 47 53 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 54 1 1 0 0 0 50 51 1 0 0 0 0 50 56 1 1 0 0 0 51 55 1 1 0 0 0 52 88 1 0 0 0 0 57 64 1 6 0 0 0 58 57 1 0 0 0 0 59 57 1 0 0 0 0 59 63 1 1 0 0 0 60 58 1 0 0 0 0 60 20 1 1 0 0 0 61 59 1 0 0 0 0 61 60 1 0 0 0 0 61 62 1 6 0 0 0 64 65 1 0 0 0 0 66 73 1 6 0 0 0 67 66 1 0 0 0 0 68 66 1 0 0 0 0 68 72 1 1 0 0 0 69 67 1 0 0 0 0 69 65 1 1 0 0 0 70 68 1 0 0 0 0 70 69 1 0 0 0 0 70 71 1 6 0 0 0 73 74 1 0 0 0 0 75 82 1 6 0 0 0 76 75 1 0 0 0 0 77 75 1 0 0 0 0 77 81 1 1 0 0 0 78 76 1 0 0 0 0 78 53 1 1 0 0 0 79 77 1 0 0 0 0 79 78 1 0 0 0 0 79 80 1 6 0 0 0 82 83 1 0 0 0 0 84 94 1 6 0 0 0 85 84 1 0 0 0 0 85 90 1 6 0 0 0 86 85 1 0 0 0 0 86 91 1 1 0 0 0 87 86 1 0 0 0 0 87 92 1 1 0 0 0 88 87 1 0 0 0 0 89 84 1 0 0 0 0 93 89 2 0 0 0 0 M END $$$$ 153193_p OpenBabel02171217032D 23 23 0 0 0 0 0 0 0 0999 V2000 11.3337 -3.7422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6191 -4.1547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6191 -4.9797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3337 -5.3922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0482 -4.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 -3.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3336 -6.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4770 -4.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 -2.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -3.7421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1902 -4.1546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9048 -2.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 -3.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1902 -4.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7613 -4.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -3.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0482 -4.1547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0482 -3.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -5.3922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -6.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -6.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1902 -6.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -7.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 1 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 1 0 0 0 2 3 1 0 0 0 0 3 19 1 1 0 0 0 3 4 1 0 0 0 0 4 7 1 6 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 6 0 0 0 13 15 1 0 0 0 0 17 5 1 0 0 0 0 17 6 1 0 0 0 0 17 18 1 1 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 M END $$$$ 153194_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 0.7096 0.7938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0049 1.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.7937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8530 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4241 2.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8530 -0.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.4437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4239 -1.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -0.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0050 -0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -0.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2424 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 0.2709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4799 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 1.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 -0.4436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3050 -0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0675 -1.1581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4800 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 -1.1581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8300 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 5 1 0 0 0 0 1 2 1 1 0 0 0 3 5 1 0 0 0 0 3 4 1 6 0 0 0 5 6 1 1 0 0 0 7 3 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 0 0 0 0 9 10 1 6 0 0 0 11 9 1 0 0 0 0 11 12 1 1 0 0 0 13 12 1 6 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 18 20 1 0 0 0 0 18 19 1 1 0 0 0 20 22 1 0 0 0 0 20 21 1 1 0 0 0 22 13 1 0 0 0 0 22 23 1 6 0 0 0 M END $$$$ 153195_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 10.0175 -8.1009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0175 -8.9259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3030 -7.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3030 -9.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5886 -8.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5886 -8.9259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7319 -7.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7319 -9.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3030 -10.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 -9.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 -7.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1596 -8.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4465 -5.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4465 -6.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7320 -5.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -6.8634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0175 -5.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0175 -6.4509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1609 -5.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1609 -6.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3031 -6.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3031 -5.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5886 -5.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3044 -3.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3044 -4.8009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5899 -3.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5899 -5.2134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8755 -3.9759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8755 -4.8009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0188 -3.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0188 -5.2134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5899 -6.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1609 -3.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4465 -3.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0188 -6.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4212 -6.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6363 -6.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5735 -7.5778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3985 -7.5778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1610 -8.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8110 -8.2924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5735 -9.0068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3985 -9.0068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8110 -6.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6360 -8.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8110 -9.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1610 -9.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 19 1 6 0 0 0 31 35 1 0 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 20 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 1 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 6 0 0 0 42 43 1 0 0 0 0 42 47 1 6 0 0 0 43 46 1 6 0 0 0 M END $$$$ 153196_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 12.7475 -27.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0330 -26.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4619 -26.8010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4619 -25.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1764 -27.2135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8908 -26.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1764 -28.0385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8908 -28.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4619 -28.4509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7475 -28.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4619 -29.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1764 -29.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3185 -27.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3185 -28.0385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0330 -28.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6041 -28.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6041 -29.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 -28.0385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1752 -28.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 -27.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6041 -26.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1752 -26.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -27.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 -27.6260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7462 -28.4510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0317 -27.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 -28.8635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3173 -27.6260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3173 -28.4510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4607 -28.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 -29.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6027 -28.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6027 -27.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 -27.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 11 1 1 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 2 1 6 0 0 0 14 13 1 0 0 0 0 14 15 1 6 0 0 0 16 14 1 0 0 0 0 16 17 1 1 0 0 0 18 16 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 0 0 0 0 20 22 1 1 0 0 0 21 13 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 23 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 M END $$$$ 153197_p OpenBabel02171217032D 59 63 0 0 0 0 0 0 0 0999 V2000 10.0650 -13.5505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3505 -13.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0650 -12.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -13.5505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3504 -12.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6360 -12.7255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7795 -13.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3505 -14.7880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9215 -13.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9215 -12.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3504 -11.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0597 -11.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9215 -11.4880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2070 -11.0755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6360 -11.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2071 -10.2504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6360 -10.2504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9216 -9.8379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4926 -11.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4926 -9.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9216 -9.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3505 -9.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3505 -9.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4926 -9.0129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7781 -8.6004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2071 -8.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7782 -7.7754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2071 -7.7754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4926 -7.3628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0636 -9.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -7.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4926 -6.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9216 -7.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9216 -6.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -15.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9216 -14.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -16.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6374 -13.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6374 -14.7880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9229 -13.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9229 -15.2005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2084 -13.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2084 -14.7880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3518 -13.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3519 -15.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9228 -16.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4940 -15.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4940 -13.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3518 -11.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0663 -11.4879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6373 -11.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0663 -12.3129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6374 -12.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3518 -12.7254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3518 -10.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7808 -11.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7808 -12.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9229 -12.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2084 -12.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 48 1 0 0 0 0 8 35 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 1 0 0 0 39 41 1 0 0 0 0 39 45 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 46 1 1 0 0 0 42 43 1 0 0 0 0 42 48 1 1 0 0 0 43 47 1 1 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 6 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 1 0 0 0 54 44 1 6 0 0 0 58 59 1 0 0 0 0 M END $$$$ 153198_p OpenBabel02171217032D 54 56 0 0 0 0 0 0 0 0999 V2000 11.5051 -10.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5326 -9.8914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2475 -9.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8176 -9.4789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2475 -8.7090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8250 -9.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8176 -8.6540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0751 -9.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9624 -8.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5600 -8.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1302 -8.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1302 -7.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6526 -11.3763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9652 -10.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6526 -12.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3401 -11.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 -11.3763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9652 -12.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0275 -11.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3401 -12.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 -12.1736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9652 -13.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5354 -10.9363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5354 -10.1113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7929 -9.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5354 -11.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7929 -11.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 -9.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5354 -12.5861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5354 -13.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7929 -13.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 -13.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 -8.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 -9.2589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3906 -8.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 -10.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 -9.2589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3906 -10.4689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6756 -10.0564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3906 -11.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 -8.8189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9607 -7.9941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2183 -7.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 -6.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 -9.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 -9.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 -7.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 -10.4689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 -11.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 -11.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 -11.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4905 -8.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3154 -8.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 -7.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 7 11 1 1 0 0 0 7 10 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 1 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 1 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 26 1 1 0 0 0 18 22 1 6 0 0 0 18 21 1 0 0 0 0 21 29 1 1 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 24 25 1 6 0 0 0 24 28 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 52 1 1 0 0 0 34 25 1 6 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 37 45 1 1 0 0 0 38 40 1 6 0 0 0 38 39 1 0 0 0 0 39 48 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 6 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 44 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 M END $$$$ 153199_p OpenBabel02171217032D 43 44 0 0 0 0 0 0 0 0999 V2000 11.4998 -10.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6477 -11.3711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9606 -10.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6477 -12.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -11.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2461 -11.3711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9606 -12.5803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0220 -11.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -12.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2461 -12.1680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9606 -13.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 -10.9313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5315 -10.1067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7894 -9.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 -11.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7894 -11.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2461 -9.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 -12.5803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 -13.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7894 -13.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2461 -13.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2461 -8.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 -9.2547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3876 -8.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 -10.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -9.2547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3876 -10.4641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6730 -10.0518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3876 -11.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -8.8149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9585 -7.9905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2163 -7.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -6.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -9.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -9.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -7.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -10.4641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -11.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -11.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -11.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -8.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3116 -8.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 -7.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 1 6 0 0 0 2 4 1 0 0 0 0 2 5 1 1 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 1 0 0 0 7 11 1 6 0 0 0 7 10 1 0 0 0 0 10 18 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 6 0 0 0 13 14 1 6 0 0 0 13 17 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 1 0 0 0 23 14 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 34 1 1 0 0 0 27 29 1 6 0 0 0 27 28 1 0 0 0 0 28 37 1 1 0 0 0 30 31 1 0 0 0 0 30 35 1 6 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 33 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 M END $$$$ 153201_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 14.4182 -10.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4182 -11.5983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7037 -10.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7037 -12.0108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9893 -10.7734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9893 -11.5983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1327 -10.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1327 -12.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7037 -12.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2749 -12.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2749 -10.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5604 -10.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8459 -10.3609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1315 -10.7734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8459 -9.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4171 -10.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1315 -9.1233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4171 -9.5358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1315 -11.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7026 -10.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7026 -9.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1315 -8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4172 -7.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 M END $$$$ 153202_p OpenBabel02171217032D 24 24 0 0 0 0 0 0 0 0999 V2000 9.6941 -6.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 -6.5863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0865 -6.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 -7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -6.5863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0865 -7.7955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3720 -7.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0865 -8.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 -6.1466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6573 -5.3221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3994 -4.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3994 -4.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 -6.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 -6.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 -4.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 -7.7955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 -8.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 -9.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -9.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 -5.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -5.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 -5.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 -9.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -4.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 1 0 0 0 2 1 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 6 0 0 0 6 7 1 0 0 0 0 7 16 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 11 12 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END $$$$ 153203_p OpenBabel02171217032D 12 12 0 0 0 0 0 0 0 0999 V2000 11.5979 -4.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5979 -5.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8834 -3.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8834 -5.5116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1690 -4.2741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1690 -5.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3124 -3.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3124 -5.5116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8834 -6.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4545 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4545 -3.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7400 -4.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 M END $$$$ 153204_p OpenBabel02171217032D 44 47 0 0 0 0 0 0 0 0999 V2000 10.6202 -5.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6202 -6.0557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9058 -4.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 -6.4682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1914 -5.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1914 -6.0557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3348 -4.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3348 -6.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 -7.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -6.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -4.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 -5.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 -7.7056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1914 -8.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4768 -7.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -8.9430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7626 -7.7056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7626 -8.5306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9058 -8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -9.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -7.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3335 -7.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0492 -7.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7636 -8.1181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0492 -6.8806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7636 -6.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4781 -6.8807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4781 -7.7057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7639 -5.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1925 -6.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1925 -8.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7636 -8.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7639 -2.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0493 -2.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0493 -3.5808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3348 -2.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3348 -3.9932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6204 -2.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6204 -3.5808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7639 -3.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -3.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 -2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 34 1 1 0 0 0 36 38 1 0 0 0 0 36 41 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 7 1 1 0 0 0 39 40 1 0 0 0 0 39 43 1 1 0 0 0 40 42 1 1 0 0 0 44 43 1 0 0 0 0 M END $$$$ 153205_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 11.3245 -3.4603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3245 -4.2852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6100 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 -4.6977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8954 -3.4603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8954 -4.2852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0390 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0390 -4.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 -5.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -4.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -3.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 -3.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8956 -5.9352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8956 -6.7602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1809 -5.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1811 -7.1727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4664 -5.9354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4666 -6.7602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6101 -7.1727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -7.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 -7.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7519 -5.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -5.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6101 -7.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3245 -8.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8956 -8.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 153206_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 11.3241 -3.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3241 -4.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6096 -3.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6096 -4.6975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8951 -3.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8951 -4.2851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0385 -3.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0385 -4.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6096 -5.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1806 -4.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1806 -3.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4663 -3.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8952 -5.9350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8952 -6.7600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1806 -5.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 -7.1724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4661 -5.9352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4663 -6.7600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6097 -7.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1805 -7.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 -7.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7517 -5.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0373 -5.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6097 -7.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -8.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8952 -8.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1820 -1.8101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1820 -2.6351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4675 -1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 -3.0476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7530 -1.8101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7530 -2.6351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8965 -1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8965 -3.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 -3.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0385 -1.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -1.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 1 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 7 1 6 0 0 0 37 36 1 0 0 0 0 M END $$$$ 153207_p OpenBabel02171217032D 29 30 0 0 0 0 0 0 0 0999 V2000 11.3245 -3.4603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3245 -4.2852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6100 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 -4.6977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8954 -3.4603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8954 -4.2852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0390 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0390 -4.6977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 -5.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -4.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -3.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 -3.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8956 -5.9352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8956 -6.7602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1809 -5.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1811 -7.1727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4664 -5.9354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4666 -6.7602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6101 -7.1727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -7.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 -7.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7519 -5.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -5.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6101 -7.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3245 -8.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8956 -8.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0390 -5.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7534 -5.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3245 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 8 27 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 153208_p OpenBabel02171217032D 40 42 0 0 0 0 0 0 0 0999 V2000 7.6503 -6.1676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6503 -6.9925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9358 -5.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9358 -7.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2212 -6.1676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2212 -6.9925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3648 -5.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3648 -7.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9358 -8.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 -7.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 -5.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 -6.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 -8.6425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2215 -9.4675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5068 -8.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -9.8799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7923 -8.6427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7925 -9.4675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9360 -9.8799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 -10.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -9.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -8.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 -8.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 -10.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6503 -11.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 -11.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3648 -8.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 -8.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6503 -8.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0795 -3.6926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0795 -4.5176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3648 -3.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3650 -4.9301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6503 -3.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6505 -4.5176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7940 -4.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 -4.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9358 -3.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 -3.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 -3.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 8 27 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 40 1 6 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 7 1 1 0 0 0 34 35 1 0 0 0 0 34 38 1 1 0 0 0 35 37 1 1 0 0 0 39 38 1 0 0 0 0 M END $$$$ 153209_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 8.5071 -4.5263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5071 -5.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7927 -4.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -5.7638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0783 -4.5263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0783 -5.3513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2216 -4.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 -5.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -6.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -5.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -4.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6494 -4.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 -7.0012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0783 -7.8262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3637 -6.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -8.2386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6494 -7.0012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6494 -7.8262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7927 -8.2386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -9.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -8.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -6.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 -7.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9360 -7.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 -7.4137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9360 -6.1762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6504 -5.7637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3650 -6.1763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3650 -7.0013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6507 -4.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 -5.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 -7.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 -8.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -9.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5072 -9.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 -9.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6507 -1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9362 -2.0514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9362 -2.8764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2216 -1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 -3.2888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5072 -2.0514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5072 -2.8764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6507 -3.2888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 -3.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 -1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0782 -2.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3650 -2.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3650 -2.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0795 -3.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 7 1 1 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 43 45 1 1 0 0 0 44 48 1 0 0 0 0 47 46 1 0 0 0 0 49 48 2 0 0 0 0 50 48 1 0 0 0 0 M END $$$$ 153210_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 8.5071 -4.5263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5071 -5.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7927 -4.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -5.7638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0783 -4.5263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0783 -5.3513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2216 -4.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 -5.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -6.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -5.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -4.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6494 -4.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 -7.0012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0783 -7.8262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3637 -6.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -8.2386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6494 -7.0012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6494 -7.8262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7927 -8.2386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -9.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -8.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -6.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 -7.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9360 -7.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 -7.4137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9360 -6.1762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6504 -5.7637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3650 -6.1763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3650 -7.0013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6507 -4.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 -5.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 -7.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 -8.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -9.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5072 -9.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 -9.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6507 -1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9362 -2.0514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9362 -2.8764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2216 -1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 -3.2888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5072 -2.0514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5072 -2.8764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6507 -3.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 -3.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 -1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0782 -2.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 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0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9376 -5.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6520 -3.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 -4.7326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9376 -3.4953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2231 -3.9078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9377 -5.9701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 -5.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 -3.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 -2.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -2.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -7.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -8.0325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7955 -6.7950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5099 -7.2074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5099 -8.0325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7955 -8.4451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2245 -6.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2244 -8.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 -9.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -8.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 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0 0 0 3 6 1 6 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 1 0 0 0 6 11 1 0 0 0 0 7 1 1 6 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 1 0 0 0 8 9 1 0 0 0 0 9 15 1 6 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 12 19 1 1 0 0 0 13 20 1 0 0 0 0 13 21 1 1 0 0 0 14 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 6 0 0 0 20 23 1 0 0 0 0 23 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M END $$$$ 153213_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 19.0152 -3.1439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0152 -3.9689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3007 -2.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3007 -4.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5863 -3.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5863 -3.9689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7297 -2.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7297 -5.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3007 -5.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8718 -4.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8718 -2.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6336 -8.5809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6336 -9.4059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9191 -8.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9191 -9.8184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2046 -8.5809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2046 -9.4059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3481 -8.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3481 -9.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9190 -10.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4902 -9.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4902 -8.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0626 -6.1059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0626 -6.9309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3481 -5.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3481 -7.3434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6336 -6.1059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6336 -6.9309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7770 -7.3434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9191 -7.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9191 -5.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2047 -6.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7770 -8.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4915 -8.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -8.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 21 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 8 1 1 0 0 0 24 26 1 0 0 0 0 24 29 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 18 1 1 0 0 0 27 28 1 0 0 0 0 27 31 1 1 0 0 0 28 30 1 6 0 0 0 29 33 1 0 0 0 0 32 31 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 M END $$$$ 153214_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 8.1053 -3.5146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1053 -4.3396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3908 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -4.7521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6764 -3.5146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6764 -4.3396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8198 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -5.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -5.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 -4.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 -3.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 -6.5707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1053 -7.3957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3908 -6.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -7.8082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6764 -6.5707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6764 -7.3957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8198 -7.8082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -8.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 -7.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 -6.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -8.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5343 -9.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 -9.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 153215_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 8.1053 -6.5707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1053 -7.3957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3908 -6.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -7.8082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6764 -6.5707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6764 -7.3957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8198 -7.8082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -8.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 -7.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 -6.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -8.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5343 -9.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 -9.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -6.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9633 -4.9207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9633 -5.7457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2487 -4.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2487 -6.1582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5343 -4.9207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5343 -5.7457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6777 -4.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2487 -6.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 -4.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6777 -6.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 15 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 7 12 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 26 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 24 1 1 0 0 0 21 15 1 1 0 0 0 25 24 1 0 0 0 0 M END $$$$ 153216_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 8.0639 -2.9382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0639 -3.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3494 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -4.1757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -2.9382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -3.7632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7783 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -4.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -5.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -4.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -2.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0639 -5.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0639 -6.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3494 -5.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -7.2317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -5.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -6.8192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7783 -7.2317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -8.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -7.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -5.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -5.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -8.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4929 -8.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0639 -8.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 M END $$$$ 153217_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 8.0639 -2.9382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0639 -3.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3494 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -4.1757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -2.9382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -3.7632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7783 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -4.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -5.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -4.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -2.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0639 -5.9943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0639 -6.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3494 -5.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -7.2317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -5.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -6.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7783 -7.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -8.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -7.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -5.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -5.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 153218_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 8.0639 -2.9382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0639 -3.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3494 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -4.1757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -2.9382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -3.7632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7783 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -4.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -5.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -4.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -2.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0639 -5.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0639 -6.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3494 -5.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -7.2317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -5.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -6.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7783 -7.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -8.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -7.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -5.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -5.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 153219_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 8.0639 -2.9382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0639 -3.7632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3494 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -4.1757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -2.9382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -3.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7783 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -4.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -5.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -4.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -2.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0639 -5.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0639 -6.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3494 -5.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -7.2317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6350 -5.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -6.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7783 -7.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 -8.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -7.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -5.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -5.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 8 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 153220_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 17.2120 -6.4094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2120 -7.2344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4976 -5.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4976 -7.6469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7831 -6.4094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7831 -7.2344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9265 -5.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9265 -7.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4976 -8.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0687 -7.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0687 -5.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3542 -6.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6396 -5.9970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9253 -6.4094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6397 -5.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2108 -5.9970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9253 -4.7594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2108 -5.1719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9253 -7.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 -6.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4963 -4.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9253 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2108 -3.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 153222_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 10.8568 -4.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8568 -5.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1424 -4.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1424 -6.0003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4280 -4.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4280 -5.5878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5713 -4.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5713 -6.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1424 -6.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7134 -6.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7134 -4.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9991 -4.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4280 -7.2377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4280 -8.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7134 -6.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7134 -8.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9991 -7.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9991 -8.0627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1424 -8.4751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7134 -9.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2846 -8.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2846 -6.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -7.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2857 -7.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0001 -7.6502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2857 -6.4127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0001 -6.0002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7147 -6.4128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7147 -7.2378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0004 -5.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4291 -6.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4291 -7.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0001 -8.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1424 -9.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 -9.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4280 -9.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0004 -1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2859 -2.2879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2859 -3.1129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5713 -1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5713 -3.5253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8569 -2.2879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8569 -3.1129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0004 -3.5253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1425 -3.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1425 -1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4279 -2.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7147 -3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7147 -2.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4292 -3.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 6 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 7 1 1 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 43 45 1 1 0 0 0 44 48 1 0 0 0 0 47 46 1 0 0 0 0 49 48 2 0 0 0 0 50 48 1 0 0 0 0 M END $$$$ 153223_p OpenBabel02171217032D 50 53 0 0 0 0 0 0 0 0999 V2000 8.9758 -4.5301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9758 -5.3551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2614 -4.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2614 -5.7676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5470 -4.5301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5470 -5.3551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6902 -4.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6902 -5.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2614 -6.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 -5.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 -4.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -4.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 -7.0050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5470 -7.8300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8324 -6.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 -8.2424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1180 -7.0050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1180 -7.8300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2614 -8.2424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 -9.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 -8.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 -6.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 -7.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4046 -7.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1190 -7.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4046 -6.1800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1190 -5.7675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8337 -6.1801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8337 -7.0051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1193 -4.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5481 -5.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5481 -7.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1190 -8.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2614 -9.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9759 -9.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 -9.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1193 -1.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4049 -2.0552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4049 -2.8802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6902 -1.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6902 -3.2926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9759 -2.0552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9759 -2.8802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1193 -3.2926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2614 -3.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2614 -1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 -2.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8337 -2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8337 -2.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5481 -3.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 34 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 7 1 1 0 0 0 42 43 1 0 0 0 0 42 46 1 1 0 0 0 43 45 1 6 0 0 0 44 48 1 0 0 0 0 47 46 1 0 0 0 0 49 48 2 0 0 0 0 50 48 1 0 0 0 0 M END $$$$ 153225_p OpenBabel02171217032D 26 27 0 0 0 0 0 0 0 0999 V2000 15.3911 -7.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6765 -8.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6765 -9.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9617 -7.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9617 -9.4288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3911 -9.4288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2471 -8.1919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2471 -9.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9617 -10.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3911 -10.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5325 -7.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5325 -9.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1057 -10.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6765 -10.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8453 -8.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1073 -7.8474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3929 -8.2596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1073 -7.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6787 -7.8466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3929 -9.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3929 -6.6094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6787 -7.0215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0121 -8.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3691 -5.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9644 -6.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -5.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 7 8 1 0 0 0 0 8 12 1 6 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 1 0 0 0 21 24 1 1 0 0 0 21 22 1 0 0 0 0 22 25 1 1 0 0 0 24 26 1 0 0 0 0 M END $$$$ 153227_p OpenBabel02171217032D 51 53 0 0 0 0 0 0 0 0999 V2000 14.1703 -4.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4558 -5.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4558 -5.9369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7410 -4.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 -6.3492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1703 -6.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0265 -5.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0265 -5.9369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7410 -7.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3119 -4.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3119 -6.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6248 -5.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8867 -4.7680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1724 -5.1801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8867 -3.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4582 -4.7671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1724 -6.0051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1724 -3.5300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4582 -3.9421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -5.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 -6.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1486 -2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 -7.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 -5.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4244 -2.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0266 -7.5313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0266 -8.3563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3121 -7.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3121 -8.7688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5977 -7.5313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5977 -8.3563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7410 -8.7688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3121 -9.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8831 -8.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8831 -7.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1687 -7.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 -9.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4554 -10.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0265 -10.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3138 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3138 -4.2600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5993 -3.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5993 -4.6725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8848 -3.4350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8848 -4.2600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0282 -3.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0282 -4.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5993 -5.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1703 -3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4559 -3.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 7 10 1 1 0 0 0 7 8 1 0 0 0 0 8 11 1 1 0 0 0 10 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 6 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 1 0 0 0 17 21 1 0 0 0 0 18 22 1 1 0 0 0 18 19 1 0 0 0 0 19 23 1 6 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 9 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 6 0 0 0 33 38 1 0 0 0 0 37 36 1 0 0 0 0 39 38 2 0 0 0 0 40 38 1 0 0 0 0 41 42 1 0 0 0 0 41 47 1 0 0 0 0 42 44 1 0 0 0 0 42 48 1 6 0 0 0 44 46 1 0 0 0 0 44 49 1 1 0 0 0 45 43 1 1 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 46 1 1 6 0 0 0 51 50 1 0 0 0 0 M END $$$$ 153228_p OpenBabel02171217032D 62 65 0 0 0 0 0 0 0 0999 V2000 20.6113 -7.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8967 -8.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8967 -8.8393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1820 -7.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1820 -9.2516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6113 -9.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4674 -8.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4674 -8.8393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1820 -10.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7529 -7.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7529 -9.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0657 -8.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4696 -2.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7550 -3.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7550 -3.9180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0403 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0403 -4.3303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4696 -4.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3257 -3.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3257 -3.9180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0403 -5.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6112 -2.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6112 -4.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9240 -3.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1860 -2.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4717 -3.1612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1860 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7575 -2.7482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4717 -3.9862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4717 -1.5111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7575 -1.9232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0909 -3.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7813 -4.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4479 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0432 -1.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7813 -5.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0671 -3.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7236 -0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3259 -5.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3259 -6.3374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6113 -5.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6113 -6.7499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8969 -5.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8969 -6.3374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0403 -6.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1824 -6.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1824 -5.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4680 -5.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6130 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6130 -2.2411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8985 -1.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8985 -2.6536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1841 -1.4161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1841 -2.2411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.3275 -1.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3275 -2.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8985 -3.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4696 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7551 -1.4161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7548 -6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7549 -5.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4693 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 7 10 1 1 0 0 0 7 8 1 0 0 0 0 8 11 1 1 0 0 0 10 12 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 6 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 1 0 0 0 19 22 1 1 0 0 0 19 20 1 0 0 0 0 20 23 1 1 0 0 0 22 24 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 6 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 1 0 0 0 29 33 1 0 0 0 0 30 34 1 1 0 0 0 30 31 1 0 0 0 0 31 35 1 6 0 0 0 33 36 1 0 0 0 0 33 37 2 0 0 0 0 34 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 21 1 1 0 0 0 40 42 1 0 0 0 0 40 45 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 1 1 1 0 0 0 43 44 1 0 0 0 0 43 47 1 1 0 0 0 44 46 1 6 0 0 0 45 60 1 0 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 55 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 6 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 53 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0 0 0 0 7.2998 -5.0733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4432 -5.4858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5853 -5.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5853 -3.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8709 -4.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 -5.9257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8707 -6.7502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1560 -5.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -7.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5853 -7.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 -5.9257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4414 -6.7502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1560 -7.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -5.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -7.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 -5.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0142 -6.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 -6.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1576 -6.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7287 -6.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 12 1 6 0 0 0 3 2 1 0 0 0 0 3 8 1 6 0 0 0 4 3 1 0 0 0 0 4 9 1 1 0 0 0 5 4 1 0 0 0 0 5 10 1 1 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 11 7 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 1 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 20 1 6 0 0 0 19 35 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 6 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 1 0 0 0 28 31 1 1 0 0 0 28 29 1 0 0 0 0 29 32 1 1 0 0 0 31 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 153235_p OpenBabel02171217032D 57 60 0 0 0 0 0 0 0 0999 V2000 7.1187 -3.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2253 -1.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 -1.4939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2254 -2.7312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5109 -3.1438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7964 -2.7314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7964 -1.9064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5109 -3.9688 0.0000 O 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 7.1278 -8.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0114 -8.3613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7260 -9.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -7.0970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2966 -6.2725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5544 -5.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 -4.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -7.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 -7.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0114 -5.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -8.7737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -9.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 -10.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0114 -10.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8588 -4.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5734 -2.3957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5734 -3.2207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8589 -1.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8589 -3.6332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1445 -2.3957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1445 -3.2207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2879 -1.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4301 -1.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2879 -3.6332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 -3.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7168 -3.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 -2.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4301 -1.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 3 11 1 6 0 0 0 4 2 1 0 0 0 0 4 1 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 6 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 44 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 17 21 1 6 0 0 0 18 22 1 0 0 0 0 23 24 1 0 0 0 0 23 20 1 6 0 0 0 23 25 1 0 0 0 0 23 26 1 1 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 27 37 1 1 0 0 0 28 32 1 6 0 0 0 28 31 1 0 0 0 0 31 40 1 1 0 0 0 33 34 1 0 0 0 0 33 38 1 6 0 0 0 34 35 1 0 0 0 0 34 39 1 1 0 0 0 35 36 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 51 1 1 0 0 0 46 48 1 0 0 0 0 46 53 1 6 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 44 1 1 0 0 0 49 50 1 0 0 0 0 49 52 1 1 0 0 0 50 1 1 6 0 0 0 52 57 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 M END $$$$ 153236_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 9.2507 -5.5636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7658 -6.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -5.5636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5606 -6.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3307 -4.7790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6632 -4.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1153 -4.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7284 -5.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -4.7790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5833 -4.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -3.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2813 -5.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 -4.7790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8524 -3.5415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1379 -3.9540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1379 -4.7790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8524 -5.1916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5668 -3.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8524 -6.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 -3.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8524 -2.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 -5.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1379 -2.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 7 1 6 0 0 0 6 9 1 0 0 0 0 6 5 1 0 0 0 0 8 7 1 0 0 0 0 9 10 1 1 0 0 0 9 12 1 6 0 0 0 10 11 1 0 0 0 0 13 12 1 6 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 6 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 17 13 1 0 0 0 0 17 19 1 6 0 0 0 21 23 1 0 0 0 0 M END $$$$ 153299_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 23.1104 -7.0464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1104 -7.8714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3959 -6.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3959 -8.2839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6814 -7.0464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6814 -7.8714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8249 -6.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8249 -8.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3959 -9.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9670 -8.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9670 -6.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2525 -7.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5394 -4.5714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5394 -5.3964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8249 -4.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8249 -5.8089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1104 -4.5714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1104 -5.3964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.2539 -4.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2539 -5.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3960 -5.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3960 -4.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6815 -4.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3973 -2.9214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3973 -3.7464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6828 -2.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6828 -4.1589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9683 -2.9214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9683 -3.7464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1118 -2.5089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1118 -4.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6828 -4.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2539 -2.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5394 -2.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8263 -2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5407 -2.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8263 -3.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 19 1 6 0 0 0 30 35 1 0 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 M END $$$$ 153300_p OpenBabel02171217032D 41 44 0 0 0 0 0 0 0 0999 V2000 9.7094 -7.1666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7094 -7.9916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9949 -6.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 -8.4041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2804 -7.1666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2804 -7.9916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4238 -6.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4238 -8.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 -9.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -8.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8515 -7.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 -4.6916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1384 -5.5166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4238 -4.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4238 -5.9291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7094 -4.6916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7094 -5.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8528 -4.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8528 -5.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 -5.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 -4.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2805 -4.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9963 -3.0416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9963 -3.8666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2818 -2.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2818 -4.2791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5673 -3.0416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5673 -3.8666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7107 -2.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7107 -4.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2818 -5.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8528 -2.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 -3.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4252 -3.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1397 -2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8541 -1.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1397 -1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8541 -3.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5686 -2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5686 -1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 7 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 1 0 0 0 25 27 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 19 1 6 0 0 0 30 35 1 0 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 41 2 0 0 0 0 38 36 2 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 M END $$$$ 153301_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 28.6342 -17.3228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.6342 -18.1478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.9197 -16.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9197 -18.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2052 -17.3228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.2052 -18.1478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.3487 -16.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3487 -18.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4908 -18.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4908 -16.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7763 -17.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0632 -14.8478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0632 -15.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.3487 -14.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3487 -16.0853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.6342 -14.8478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6342 -15.6728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.7777 -14.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7777 -16.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9198 -16.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9198 -14.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2053 -14.8478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9211 -13.1978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.9211 -14.0228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.2066 -12.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2066 -14.4353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.4921 -13.1978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.4921 -14.0228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.6356 -12.7853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.6356 -14.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2065 -15.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7777 -12.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0632 -13.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3500 -13.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0645 -12.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3500 -14.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 18 1 6 0 0 0 29 34 1 0 0 0 0 33 32 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 M END $$$$ 153302_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 18.7178 -27.8030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7178 -28.6280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0033 -27.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0033 -29.0405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2888 -27.8030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2888 -28.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4322 -27.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4322 -29.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0032 -29.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5744 -27.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8598 -27.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1468 -25.3279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1468 -26.1529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4323 -24.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4323 -26.5654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7178 -25.3279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7178 -26.1529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8613 -24.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8613 -26.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0034 -26.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0034 -24.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2889 -25.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0047 -23.6779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0047 -24.5029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2902 -23.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2902 -24.9154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5758 -23.6779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5758 -24.5029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7192 -23.2654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7192 -24.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2902 -25.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8613 -23.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1468 -23.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4337 -23.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1482 -23.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4337 -24.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 18 1 6 0 0 0 29 34 1 0 0 0 0 33 32 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 M END $$$$ 153303_p OpenBabel02171217032D 36 38 0 0 0 0 0 0 0 0999 V2000 16.6473 -28.0898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6473 -28.9148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9328 -27.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9328 -29.3273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2183 -28.0898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2183 -28.9148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3618 -27.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3618 -29.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9328 -30.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5039 -29.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5039 -27.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0763 -25.6148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0763 -26.4398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3618 -25.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3618 -26.8523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6474 -25.6148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6474 -26.4398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7908 -25.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7908 -26.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9329 -26.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9329 -25.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2184 -25.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9342 -23.9648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9342 -24.7898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2197 -23.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2197 -25.2023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5052 -23.9648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5052 -24.7898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6487 -23.5523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6487 -25.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2197 -26.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7908 -23.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0763 -23.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3631 -23.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3631 -24.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0776 -23.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 18 1 6 0 0 0 29 34 1 0 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 M END $$$$ 153306_p OpenBabel02171217032D 35 37 0 0 0 0 0 0 0 0999 V2000 5.2464 -17.1461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2464 -17.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 -16.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 -18.3836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8175 -17.1461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8175 -17.9711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9609 -16.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 -19.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -18.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -16.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -17.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 -14.6711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6754 -15.4961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9609 -14.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9609 -15.9086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2464 -14.6711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2464 -15.4961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3899 -14.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3899 -15.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -15.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -14.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 -14.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -13.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5333 -13.8460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8188 -12.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8188 -14.2585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1044 -13.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1044 -13.8460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2478 -12.6085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2478 -14.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8188 -15.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3899 -12.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 -13.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9623 -12.1960 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6767 -11.7835 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 1 0 0 0 24 26 1 0 0 0 0 24 30 1 6 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 1 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 28 18 1 6 0 0 0 29 34 2 0 0 0 0 33 32 1 0 0 0 0 34 35 2 0 0 0 0 M CHG 2 34 1 35 -1 M END $$$$ 153308_p OpenBabel02171217032D 109118 0 0 0 0 0 0 0 0999 V2000 13.7871 -7.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7871 -8.4277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0725 -7.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0725 -8.8402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3580 -7.6027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3580 -8.4277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5015 -7.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5015 -8.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0725 -9.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -8.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -7.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5027 -4.3027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5027 -5.1277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7881 -3.8902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7881 -5.5402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0737 -4.3027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0737 -5.1277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4604 -3.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8118 -3.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0926 -3.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3593 -5.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6449 -5.9527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6449 -6.7777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9304 -5.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9304 -7.1902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2159 -5.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2159 -6.7777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3593 -7.1902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9303 -8.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5015 -5.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7870 -5.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -6.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 -7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 -5.9523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2146 -6.3644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9296 -5.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 -5.9515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2152 -4.7144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5007 -5.1267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7856 -6.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7864 -4.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2157 -3.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5015 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9596 -6.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7801 -6.4334 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.1157 -5.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7801 -7.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4946 -6.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 11 32 1 0 0 0 0 12 20 1 1 0 0 0 13 12 1 0 0 0 0 13107 1 1 0 0 0 13 15 1 0 0 0 0 14 12 1 0 0 0 0 14 19 1 6 0 0 0 15105 1 1 0 0 0 16 14 1 0 0 0 0 16 18 1 1 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 17 21 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 21 1 6 0 0 0 23 25 1 0 0 0 0 23 28 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 1 0 0 0 26 27 1 0 0 0 0 26 30 1 1 0 0 0 27 7 1 6 0 0 0 31 30 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 32 1 6 0 0 0 35 37 1 0 0 0 0 35 33 1 1 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 1 0 0 0 38 39 1 0 0 0 0 38 42 1 1 0 0 0 39 41 1 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97101 1 1 0 0 0 98 99 1 0 0 0 0 98103 1 1 0 0 0 99102 1 1 0 0 0 104103 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106108 2 0 0 0 0 106109 1 0 0 0 0 M END $$$$ 153510_p OpenBabel02171217032D 27 28 0 0 0 0 0 0 0 0999 V2000 9.3619 -6.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3619 -7.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0746 -7.7159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7871 -7.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7871 -6.4844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0746 -6.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4993 -6.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4975 -7.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0746 -8.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6474 -7.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6456 -6.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6432 -5.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 -4.0156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7908 -4.8406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4993 -5.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2120 -4.8406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2120 -4.0156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4993 -3.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 -3.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0746 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0721 -2.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9264 -5.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0764 -5.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9251 -6.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6398 -6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 -6.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 -6.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 6 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 1 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END $$$$ 153529_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 11.4232 -20.3787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2714 -21.0436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4233 -19.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1196 -20.3785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2715 -18.3836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1196 -19.0486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5750 -21.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2713 -22.3736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9677 -21.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9679 -18.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2715 -17.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4233 -16.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 -23.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1197 -24.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9608 -22.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9591 -17.0616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8043 -16.4017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1080 -16.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7984 -15.0717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1020 -15.0614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9473 -14.4016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6555 -17.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 -14.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9414 -13.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2509 -14.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 -13.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1823 -21.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1823 -22.3737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0305 -20.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0305 -23.0387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8787 -21.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8787 -22.3737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3341 -20.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3341 -23.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0304 -24.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7269 -23.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7269 -20.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 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16.0305 -23.0387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8787 -21.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8787 -22.3737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3341 -20.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3341 -23.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0304 -24.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7269 -23.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7269 -20.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 37 1 0 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 1 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 1 0 0 0 31 32 1 0 0 0 0 31 37 1 1 0 0 0 32 36 1 6 0 0 0 M END $$$$ 153531_p OpenBabel02171217032D 62 66 0 0 0 0 0 0 0 0999 V2000 54.1785 -28.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.1785 -28.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 53.4640 -27.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.4640 -29.2628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 52.7496 -28.0253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 52.7496 -28.8503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 54.8930 -27.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.8930 -29.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.4640 -30.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0351 -29.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0351 -27.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0333 -26.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3189 -26.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 50.6043 -26.7928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 51.3189 -25.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.8899 -26.3802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 50.6044 -25.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 49.8899 -25.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 50.6043 -27.6178 0.0000 N 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0 0 0 0 0 0 0 0 0 0 0 0 47.7501 -22.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0357 -22.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.8899 -23.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 50 1 6 0 0 0 19 22 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 9 1 1 0 0 0 26 28 1 0 0 0 0 26 31 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 37 1 6 0 0 0 31 34 1 0 0 0 0 33 49 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 37 1 1 0 0 0 39 41 1 0 0 0 0 39 44 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 43 1 0 0 0 0 42 47 1 1 0 0 0 43 46 1 1 0 0 0 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OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 9.4031 -1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4031 -1.9830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6886 -0.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6886 -2.3955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9741 -1.1580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9741 -1.9830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1175 -0.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1175 -2.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6886 -3.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -2.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 -1.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 -3.6330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9741 -4.4580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2596 -3.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -4.8705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5451 -3.6330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5451 -4.4580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6886 -4.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -5.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 -4.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 -3.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 -3.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 23 22 1 0 0 0 0 M END $$$$ 153552_p OpenBabel02171217032D 45 47 0 0 0 0 0 0 0 0999 V2000 10.8041 -3.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 -3.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 -4.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3753 -3.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3753 -4.9398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6608 -3.7023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6608 -4.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8041 -4.9398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3752 -5.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9464 -4.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9464 -3.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2318 -3.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8041 -5.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5186 -6.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2319 -5.3523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2319 -6.1773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5174 -4.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 -6.5900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8030 -5.3523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8030 -6.1773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9464 -6.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5173 -7.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 -6.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 -4.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -5.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8028 -7.8273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8028 -8.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0884 -7.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 -9.0648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3740 -7.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3740 -8.6523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5173 -9.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 -9.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 -9.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 -7.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -7.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5186 -3.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2331 -3.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9476 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6620 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3765 -3.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0910 -3.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0909 -2.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8055 -3.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 10 1 6 0 0 0 17 19 1 0 0 0 0 17 22 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 24 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 23 1 6 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 M END $$$$ 153553_p OpenBabel02171217032D 22 23 0 0 0 0 0 0 0 0999 V2000 9.5347 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -3.8588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8201 -2.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8201 -4.2714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1057 -3.0338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1057 -3.8588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2491 -2.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2491 -4.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8201 -5.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3913 -4.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3913 -2.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6767 -3.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -5.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -6.3337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2491 -5.0963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9635 -5.5087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9635 -6.3337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2490 -6.7463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6780 -5.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6780 -6.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2490 -7.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8201 -6.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 14 22 1 6 0 0 0 15 13 1 0 0 0 0 15 8 1 1 0 0 0 15 16 1 0 0 0 0 16 19 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 6 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 18 21 1 6 0 0 0 M END $$$$ 153554_p OpenBabel02171217032D 33 35 0 0 0 0 0 0 0 0999 V2000 11.2658 -4.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2658 -4.8636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5513 -3.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5513 -5.2761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8369 -4.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8369 -4.8636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9803 -3.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9803 -5.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5513 -6.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1224 -5.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1224 -3.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 -4.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8369 -6.5135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8369 -7.3385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1224 -6.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1224 -7.7510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4080 -6.5135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4080 -7.3385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5513 -7.7510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1224 -8.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -7.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 -6.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6947 -6.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4091 -6.9260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6947 -5.6885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4091 -5.2760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1238 -5.6886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1238 -6.5136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4093 -4.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8382 -5.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8382 -6.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4091 -7.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 M END $$$$ 153555_p OpenBabel02171217032D 33 35 0 0 0 0 0 0 0 0999 V2000 11.4920 -6.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3487 -5.6281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3487 -6.4531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7776 -6.4534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7776 -5.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 -6.8656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0632 -5.2156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0631 -7.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 -6.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6343 -5.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 -4.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3488 -3.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 -7.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9197 -8.1031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3487 -8.1032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3487 -8.9281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6341 -9.3404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9197 -8.9281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0629 -9.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 -10.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2051 -9.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 -7.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6354 -5.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6354 -6.4534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9210 -5.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9210 -6.8659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2065 -5.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2065 -6.4534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3499 -5.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3499 -6.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9209 -7.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4920 -5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4920 -4.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 1 0 0 0 3 2 1 0 0 0 0 3 9 1 1 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 1 1 1 0 0 0 5 7 1 0 0 0 0 6 3 1 0 0 0 0 6 8 1 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-17.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6024 -17.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4605 -20.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4608 -21.0673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1751 -19.8296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8895 -20.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8895 -21.0668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1754 -21.4796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6038 -19.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -21.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1756 -22.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7464 -21.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8890 -15.2922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8890 -16.1172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1745 -14.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1745 -16.5297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4600 -15.2922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4600 -16.1172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6035 -14.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 -16.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7456 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20.5074 -54.5404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6508 -53.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6508 -54.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2218 -55.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7929 -54.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7929 -53.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7911 -52.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0767 -52.0704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3621 -52.4829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0767 -51.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6477 -52.0703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3622 -50.8329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6477 -51.2453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3621 -53.3079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9332 -52.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3622 -50.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6448 -53.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6477 -54.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9289 -53.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5073 -56.1904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5073 -57.0154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7928 -55.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7928 -57.4279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0783 -56.1905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0783 -57.0155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2218 -57.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7928 -58.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3639 -55.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2248 -58.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9407 -58.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5118 -58.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3639 -57.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6546 -57.8394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6546 -58.6644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9401 -57.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9401 -59.0770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2257 -57.8394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2256 -58.6644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3690 -59.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9401 -59.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5112 -59.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5112 -57.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7967 -57.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6494 -56.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9333 -50.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2222 -50.4243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5076 -50.8367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2222 -49.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7932 -50.4241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5080 -49.1867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7934 -49.5992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5076 -51.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0787 -50.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 -49.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5080 -48.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7936 -47.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6477 -49.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 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0 0 0 10.4713 -7.1392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1858 -5.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7568 -6.7267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4714 -5.4892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7568 -5.9017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4712 -7.9642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0423 -7.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0424 -5.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4714 -4.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7569 -4.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7568 -8.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7567 -9.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0423 -7.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 -7.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0437 -5.9018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0437 -6.7268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3291 -5.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3291 -7.1393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6147 -5.9018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6147 -6.7268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7581 -5.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7581 -7.1393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3291 -7.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 -5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4726 -6.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4727 -5.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1871 -7.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 -4.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3291 -8.7893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0436 -9.2018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6146 -9.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0435 -10.0269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6146 -10.0268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3291 -10.4393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7581 -8.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7580 -10.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3291 -11.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 -10.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 -11.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9016 -4.2518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9016 -5.0768 0.0000 C 0 0 1 0 0 0 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N 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -6.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 -4.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6712 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 -3.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 -7.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9565 -8.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -7.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -6.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2435 -5.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2435 -5.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5289 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5289 -6.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8145 -5.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8145 -5.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9579 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9579 -6.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5289 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6724 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6725 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3869 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5289 -7.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2434 -8.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8144 -8.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2433 -9.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8144 -9.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5289 -9.5417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9579 -7.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9578 -9.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5289 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6722 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3869 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6722 -9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1014 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1014 -4.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3869 -2.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3869 -4.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6724 -3.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6724 -4.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1704 -3.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8158 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3869 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9579 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2435 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9579 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3895 -6.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 15 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 7 12 1 0 0 0 0 8 56 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 21 15 1 1 0 0 0 23 26 1 0 0 0 0 25 29 1 0 0 0 0 27 26 2 0 0 0 0 28 26 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 24 1 6 0 0 0 31 33 1 0 0 0 0 31 36 1 6 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 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0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 19 1 6 0 0 0 28 29 1 0 0 0 0 28 32 1 6 0 0 0 29 31 1 1 0 0 0 34 35 1 0 0 0 0 34 43 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 33 1 1 0 0 0 37 38 1 0 0 0 0 37 42 1 6 0 0 0 38 39 1 0 0 0 0 38 41 1 1 0 0 0 39 40 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 43 46 1 0 0 0 0 M END $$$$ 153755_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 13.1684 -15.2874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1684 -16.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4539 -14.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4539 -16.5249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7394 -15.2874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7394 -16.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8829 -14.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8829 -16.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4539 -17.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -16.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -14.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3105 -15.2874 0.0000 O 0 0 0 0 0 0 0 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18.2892 -2.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2892 -3.7871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5747 -2.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5747 -4.1996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8603 -2.9621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8603 -3.7871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1925 -4.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5747 -5.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1458 -4.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1458 -2.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4313 -2.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0037 -2.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3588 -6.0434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3588 -6.8684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6443 -5.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6443 -7.2809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9298 -6.0434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9298 -6.8684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2621 -8.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6443 -8.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2153 -7.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2153 -5.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 -6.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3986 -9.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3986 -9.9795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6840 -8.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6840 -10.3920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9696 -9.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9696 -9.9795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3019 -11.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6840 -11.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2551 -10.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2551 -8.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5406 -9.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4284 -12.2359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4284 -13.0609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7139 -11.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7139 -13.4734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9994 -12.2359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9994 -13.0609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1429 -13.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7139 -14.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2849 -13.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2849 -11.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5705 -12.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9994 -14.7109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9994 -15.5359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2849 -14.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2849 -15.9484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5704 -14.7109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5704 -15.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7139 -15.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2848 -16.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8560 -15.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8560 -14.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1415 -14.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 7 1 6 0 0 0 14 16 1 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 -3.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3336 -6.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4770 -4.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 -2.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -3.7421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1902 -4.1546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9048 -2.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 -3.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1902 -4.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7613 -4.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -3.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0482 -4.1547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0482 -3.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -5.3922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -6.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -6.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1902 -6.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -7.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 1 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 1 0 0 0 2 3 1 0 0 0 0 3 19 1 1 0 0 0 3 4 1 0 0 0 0 4 7 1 6 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 6 0 0 0 13 15 1 0 0 0 0 17 5 1 0 0 0 0 17 6 1 0 0 0 0 17 18 1 6 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 M END $$$$ 153762_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 18.5049 -6.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7905 -6.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7905 -7.5896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0759 -6.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0759 -8.0021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3615 -6.7646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3615 -7.5896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5049 -8.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0759 -8.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6470 -8.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6470 -6.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9326 -6.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2182 -7.1771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2182 -8.0021 0.0000 C 0 0 2 0 0 0 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0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0734 -8.8271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3588 -7.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3588 -9.2396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6444 -8.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6444 -8.8271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7878 -9.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3588 -10.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -9.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -7.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 -8.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 10 1 6 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 12 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 6 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 23 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 6 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 34 1 6 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 6 0 0 0 44 45 1 0 0 0 0 M END $$$$ 153763_p OpenBabel02171217032D 56 60 0 0 0 0 0 0 0 0999 V2000 18.5049 -6.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7905 -6.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7905 -7.5896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0759 -6.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0759 -8.0021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3615 -6.7646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3615 -7.5896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5049 -8.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0759 -8.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6470 -8.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6470 -6.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9326 -6.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2182 -7.1771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2182 -8.0021 0.0000 C 0 0 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153764_p OpenBabel02171217032D 28 29 0 0 0 0 0 0 0 0999 V2000 12.3112 -5.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0186 -4.8767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0186 -4.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3039 -3.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 -4.0480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5966 -4.8730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7230 -3.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8849 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8854 -5.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7199 -5.2814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7201 -6.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4229 -6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9057 -3.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 -6.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8849 -2.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3114 -6.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 -5.6964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7420 -6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 -6.9339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1709 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-8.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0342 -10.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3199 -8.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -9.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4634 -10.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 7 1 0 0 0 0 6 12 1 1 0 0 0 7 11 1 1 0 0 0 8 28 1 0 0 0 0 13 12 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 13 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 1 0 0 0 18 19 1 0 0 0 0 18 23 1 1 0 0 0 19 22 1 1 0 0 0 24 34 1 6 0 0 0 25 24 1 0 0 0 0 25 30 1 6 0 0 0 26 25 1 0 0 0 0 26 31 1 1 0 0 0 27 26 1 0 0 0 0 27 32 1 1 0 0 0 28 27 1 0 0 0 0 29 24 1 0 0 0 0 33 29 1 0 0 0 0 M END $$$$ 156493_p OpenBabel02171217032D 23 24 0 0 0 0 0 0 0 0999 V2000 2.1752 -6.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1763 -9.3172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1763 -10.1422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 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156557_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 6.8567 -5.3774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8567 -6.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1422 -4.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1422 -6.6149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4277 -5.3774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4277 -6.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5711 -4.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5711 -6.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1422 -7.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 -6.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 -4.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -5.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4291 -4.9649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4291 -5.7899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7145 -4.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7145 -6.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0001 -4.9649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0001 -5.7899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1435 -4.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1435 -6.2024 0.0000 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$$$$ 156570_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 10.3859 -6.9933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3859 -7.8183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6714 -6.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6714 -8.2309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9570 -6.9933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9570 -7.8183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1003 -8.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6713 -9.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -8.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -6.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5281 -6.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9568 -9.4683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9568 -10.2933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2424 -9.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -10.7058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5280 -9.4683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5280 -10.2933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6713 -10.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -11.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 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0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6601 -6.0773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6601 -6.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9457 -7.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 -5.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3746 -8.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -4.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5192 -7.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2337 -6.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5191 -8.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9481 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2335 -8.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9481 -8.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2338 -6.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5194 -5.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9484 -5.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6625 -8.5526 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.6624 -9.3776 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3770 -8.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8046 -8.5523 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.0901 -8.1398 0.0000 O 0 5 0 0 0 0 0 0 0 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0 0 0 0 0 15.8046 -6.9022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8033 -7.3147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5178 -6.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8033 -5.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 -6.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0890 -6.9022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3745 -5.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3745 -7.3147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6600 -6.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6600 -6.9022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9456 -7.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9456 -5.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3745 -8.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 -4.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5190 -7.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2335 -6.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5190 -8.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9480 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2334 -8.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9479 -8.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2336 -6.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5192 -5.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9482 -5.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -8.5525 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.6622 -9.3775 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3768 -8.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8045 -8.5523 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.0900 -8.1398 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.8044 -9.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6611 -8.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2323 -8.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5179 -8.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5179 -9.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8034 -9.7898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2323 -9.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3745 -10.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0889 -11.0272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8034 -10.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0891 -11.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5179 -11.0271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8036 -12.2646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5181 -11.8521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2325 -12.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8037 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2323 -10.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0892 -13.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 36 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 1 0 0 0 5 37 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 7 21 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 10 1 1 0 0 0 12 14 1 0 0 0 0 12 8 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 1 0 0 0 15 16 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 6 0 0 0 18 20 1 0 0 0 0 22 21 1 0 0 0 0 22 27 1 0 0 0 0 23 21 2 0 0 0 0 23 33 1 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 26 30 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 31 30 1 0 0 0 0 32 30 2 0 0 0 0 34 33 1 0 0 0 0 35 33 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 42 1 1 0 0 0 44 46 1 0 0 0 0 44 40 1 6 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 51 1 1 0 0 0 47 48 1 0 0 0 0 47 50 1 1 0 0 0 48 49 1 6 0 0 0 50 52 1 0 0 0 0 M CHG 4 30 1 31 -1 33 1 34 -1 M END $$$$ 156983_p OpenBabel02171217032D 45 48 0 0 0 0 0 0 0 0999 V2000 14.4186 -5.1095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4186 -5.9345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7042 -4.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 -6.3469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9898 -5.1095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9898 -5.9345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1331 -4.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1331 -6.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -6.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5608 -5.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5609 -6.7594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5609 -7.5844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8464 -6.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8464 -7.9968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1320 -6.7594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1320 -7.5844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2753 -7.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8464 -8.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4176 -7.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4176 -6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7030 -6.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1318 -9.2344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1318 -10.0594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4174 -8.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -10.4718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7030 -9.2344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7030 -10.0594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8464 -10.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -11.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 -10.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 -8.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 -9.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8476 -2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8476 -3.4594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1331 -2.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1331 -3.8720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4186 -2.6344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4186 -3.4594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5621 -2.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5621 -3.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 -3.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 -2.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9897 -2.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 10 1 1 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 0 0 0 0 36 38 1 0 0 0 0 36 42 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 7 1 1 0 0 0 39 40 1 0 0 0 0 39 44 1 1 0 0 0 40 43 1 1 0 0 0 45 44 1 0 0 0 0 M END $$$$ 156984_p OpenBabel02171217032D 24 25 0 0 0 0 0 0 0 0999 V2000 9.9212 -3.7162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9212 -4.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2068 -3.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -4.9537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4924 -3.7162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4924 -4.5412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6357 -3.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6357 -4.9537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -5.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 -4.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 -3.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -3.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3502 -3.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7792 -3.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7792 -4.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0647 -3.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0647 -4.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3502 -4.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4937 -4.9537 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.4937 -5.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2082 -4.5412 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6357 -5.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 -6.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9213 -6.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 7 13 1 0 0 0 0 8 22 1 0 0 0 0 12 11 1 0 0 0 0 13 16 1 0 0 0 0 15 14 1 0 0 0 0 15 19 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 18 13 2 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 M CHG 2 19 1 21 -1 M END $$$$ 156985_p OpenBabel02171217032D 16 16 0 0 0 0 0 0 0 0999 V2000 9.3663 -3.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0808 -4.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3663 -5.4809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3663 -6.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6518 -5.0684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9374 -5.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6518 -4.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9374 -3.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 -4.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0808 -5.0684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7952 -5.4809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0808 -6.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7952 -6.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5097 -6.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7952 -3.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5097 -4.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 2 15 1 6 0 0 0 3 10 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 10 2 1 0 0 0 0 10 11 1 6 0 0 0 11 13 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 156987_p OpenBabel02171217032D 10 10 0 0 0 0 0 0 0 0999 V2000 10.1318 -9.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1318 -10.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -8.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -10.4718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7030 -9.2344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7030 -10.0594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4174 -11.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 -10.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 -8.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 -9.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 8 1 1 0 0 0 10 9 1 0 0 0 0 M END $$$$ 156988_p OpenBabel02171217032D 34 36 0 0 0 0 0 0 0 0999 V2000 8.9595 -6.0587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9595 -6.8836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2449 -5.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2449 -7.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5306 -6.0587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5306 -6.8836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6739 -7.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2449 -8.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 -7.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 -5.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1017 -6.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6739 -5.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 -2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 -3.5837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9607 -2.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9607 -3.9962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2463 -2.7587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2463 -3.5837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3897 -2.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3897 -3.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9607 -4.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5317 -3.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5317 -2.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8174 -2.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8174 -4.4087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8174 -5.2336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1029 -3.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -5.6462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3885 -4.4087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3885 -5.2336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5317 -5.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -6.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6739 -3.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9595 -4.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 1 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 1 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 18 22 1 6 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 22 1 1 0 0 0 26 28 1 0 0 0 0 26 31 1 6 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 1 0 0 0 29 30 1 0 0 0 0 29 33 1 1 0 0 0 30 12 1 1 0 0 0 34 33 1 0 0 0 0 M END $$$$ 156989_p OpenBabel02171217032D 27 27 0 0 0 0 0 0 0 0999 V2000 11.6874 -4.4729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6874 -5.2979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9729 -4.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9729 -5.7104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2584 -4.4729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2584 -5.2979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4019 -4.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4019 -5.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9729 -6.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5439 -5.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5439 -4.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5439 -3.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 -2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 -1.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -3.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 -5.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 -4.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -6.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -7.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5439 -6.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4019 -6.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1163 -6.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6873 -6.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1163 -4.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1163 -5.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8308 -4.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 7 25 1 0 0 0 0 8 22 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 17 16 2 0 0 0 0 18 16 1 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 26 25 2 0 0 0 0 27 25 1 0 0 0 0 M END $$$$ 156990_p OpenBabel02171217032D 11 11 0 0 0 0 0 0 0 0999 V2000 17.3344 -4.4040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3344 -5.2290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6201 -3.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6201 -5.6415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9056 -4.4040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9056 -5.2290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0490 -3.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0490 -5.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 -6.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1911 -5.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1911 -3.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 M END $$$$ 156991_p OpenBabel02171217032D 15 15 0 0 0 0 0 0 0 0999 V2000 11.6179 -5.5067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6179 -6.3317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9034 -5.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9034 -6.7442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1889 -5.5067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1889 -6.3317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3324 -5.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3324 -6.7442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9034 -7.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 -6.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 -5.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 -5.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3324 -7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0468 -7.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6179 -7.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 M END $$$$ 156993_p OpenBabel02171217032D 33 34 0 0 0 0 0 0 0 0999 V2000 13.9703 -2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2555 -3.2707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5407 -2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8260 -3.2707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8260 -4.0956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5407 -4.5078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2555 -4.0956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1385 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1660 -4.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5407 -5.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9703 -4.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4237 -3.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5509 -5.9376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8635 -5.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5509 -6.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2383 -6.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8635 -7.1748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9256 -5.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 -6.7623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8635 -7.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4253 -5.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7228 -5.9736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9593 -5.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -6.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4109 -4.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7228 -6.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -7.1748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -7.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -8.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 -8.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2634 -7.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 -5.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 -5.9376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 11 1 6 0 0 0 8 12 1 0 0 0 0 13 14 1 0 0 0 0 13 10 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 1 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 2 0 0 0 0 17 20 1 6 0 0 0 17 19 1 0 0 0 0 19 27 1 1 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 6 0 0 0 23 24 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 33 19 1 0 0 0 0 33 32 1 1 0 0 0 M END $$$$ 156996_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 12.0295 -4.4061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0295 -5.2312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3150 -3.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3150 -5.6436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6005 -4.4061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6005 -5.2312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7439 -3.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7439 -5.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3150 -6.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8860 -5.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8860 -3.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1717 -4.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6006 -6.8811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6006 -7.7061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8860 -6.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8861 -8.1185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1714 -6.8813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1717 -7.7061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3151 -8.1185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8859 -8.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4571 -8.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4571 -6.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7426 -6.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3151 -8.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0295 -9.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6006 -9.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8875 -2.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8875 -3.5812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1730 -2.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1730 -3.9937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4584 -2.7561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4584 -3.5812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6020 -2.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6020 -3.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1730 -4.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7439 -2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0295 -2.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 7 1 6 0 0 0 37 36 1 0 0 0 0 M END $$$$ 156997_p OpenBabel02171217032D 30 31 0 0 0 0 0 0 0 0999 V2000 12.7992 -3.5137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7992 -4.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0847 -3.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 -4.7511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3701 -3.5137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3701 -4.3386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5136 -3.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5136 -4.7511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 -5.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 -4.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 -3.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9413 -3.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3703 -5.9886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3703 -6.8135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6556 -5.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6558 -7.2260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9412 -5.9887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9413 -6.8135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0848 -7.2260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 -8.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2269 -7.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2266 -5.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 -5.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0848 -8.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7992 -8.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3703 -8.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5136 -5.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2280 -5.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7992 -5.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2282 -3.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 7 30 1 0 0 0 0 8 27 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 156998_p OpenBabel02171217032D 30 31 0 0 0 0 0 0 0 0999 V2000 12.7992 -3.5137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7992 -4.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0847 -3.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 -4.7511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3701 -3.5137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3701 -4.3386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5136 -3.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5136 -4.7511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 -5.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 -4.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 -3.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9413 -3.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3703 -5.9886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3703 -6.8135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6556 -5.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6558 -7.2260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9412 -5.9887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9413 -6.8135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0848 -7.2260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 -8.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2269 -7.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2266 -5.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 -5.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0848 -8.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7992 -8.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3703 -8.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5136 -5.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2280 -5.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7992 -5.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2282 -3.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 6 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 7 30 1 0 0 0 0 8 27 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 19 24 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M END $$$$ 157001_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 9.6262 -6.5234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6262 -7.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3388 -7.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0514 -7.3484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0514 -6.5234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3388 -6.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7635 -6.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7617 -7.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3388 -8.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9116 -7.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 -6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9074 -5.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0550 -4.0545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0550 -4.8795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7635 -5.2859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4762 -4.8795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4762 -4.0545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7635 -3.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1924 -3.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3388 -3.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3363 -2.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1906 -5.2910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3406 -5.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1894 -6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9040 -6.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4738 -6.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4797 -1.5854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4797 -2.4105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1924 -2.8168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9049 -2.4105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9049 -1.5854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1924 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6171 -1.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6153 -2.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7652 -2.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7634 -1.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7610 -0.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 1 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 6 0 0 0 15 16 1 0 0 0 0 15 7 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 27 32 1 0 0 0 0 27 36 1 1 0 0 0 28 27 1 0 0 0 0 28 35 1 1 0 0 0 29 19 1 1 0 0 0 29 28 1 0 0 0 0 30 34 1 6 0 0 0 30 29 1 0 0 0 0 31 33 1 1 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 36 37 1 0 0 0 0 M END $$$$ 157002_p OpenBabel02171217032D 47 49 0 0 0 0 0 0 0 0999 V2000 9.6248 -6.5224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6248 -7.3474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3373 -7.7536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0497 -7.3474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0497 -6.5224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3373 -6.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7618 -6.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7600 -7.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3373 -8.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9103 -7.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9085 -6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0534 -4.0539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0534 -4.8787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7618 -5.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4744 -4.8787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4744 -4.0539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7618 -3.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -3.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3373 -3.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3348 -2.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1887 -5.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3391 -5.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1875 -6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 -6.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4720 -6.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5954 -2.3898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8843 -1.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5954 -3.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8843 -3.6414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1448 -3.2147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8843 -4.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 -1.9793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6903 -2.4142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9073 -1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 -2.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1588 -1.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 -1.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4053 -3.6414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4053 -4.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 -4.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1448 -4.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0219 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8752 -1.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5954 -0.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6903 -3.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1448 -2.3898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1950 -6.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 1 0 0 0 2 1 1 0 0 0 0 2 10 1 1 0 0 0 3 9 1 1 0 0 0 3 2 1 0 0 0 0 4 8 1 6 0 0 0 4 3 1 0 0 0 0 5 7 1 1 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 11 47 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 1 0 0 0 14 15 1 0 0 0 0 14 7 1 1 0 0 0 15 16 1 0 0 0 0 15 21 1 6 0 0 0 16 17 1 0 0 0 0 16 18 1 6 0 0 0 19 20 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 26 20 1 6 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 6 0 0 0 29 30 1 0 0 0 0 30 38 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 1 0 0 0 32 46 1 0 0 0 0 33 34 1 0 0 0 0 33 45 1 6 0 0 0 34 35 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 46 30 1 0 0 0 0 46 36 1 1 0 0 0 M END $$$$ 157003_p OpenBabel02171217032D 37 39 0 0 0 0 0 0 0 0999 V2000 11.2686 -6.7222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5541 -7.1346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2686 -5.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8396 -6.7221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5542 -5.4846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8396 -5.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9830 -7.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 -7.9596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 -7.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1252 -5.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -4.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2686 -4.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8368 -8.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8397 -9.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -7.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8409 -7.1347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8409 -7.9597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1265 -6.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1265 -8.3722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4120 -7.1347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4120 -7.9597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5554 -6.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5554 -8.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1264 -9.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6976 -8.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6976 -6.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4107 -6.7221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6961 -7.1346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4107 -5.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9817 -6.7220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6962 -5.4845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9817 -5.8970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6961 -7.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2671 -7.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 -5.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -4.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9817 -4.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 6 0 0 0 7 26 1 0 0 0 0 8 13 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 1 0 0 0 20 21 1 0 0 0 0 20 26 1 1 0 0 0 21 25 1 1 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 9 1 1 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 1 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 32 35 1 1 0 0 0 37 36 1 0 0 0 0 M END $$$$ 157004_p OpenBabel02171217032D 57 61 0 0 0 0 0 0 0 0999 V2000 7.3277 -4.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1461 -2.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 -2.5002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1461 -3.7377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4317 -4.1502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7171 -3.7377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7171 -2.9127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4314 -4.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -4.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -2.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 -1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6931 -5.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6931 -6.2974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9787 -5.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9787 -6.7099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2643 -5.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2643 -6.2974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4077 -5.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4077 -6.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9787 -7.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -6.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -5.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 -5.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2643 -7.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2643 -8.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5498 -7.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -9.1847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8355 -7.9472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8355 -8.7722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9787 -9.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -10.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -9.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -7.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4064 -7.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1221 -7.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8365 -8.3597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1221 -7.1222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8365 -6.7097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5511 -7.1224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5511 -7.9474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8368 -5.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2655 -6.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2655 -8.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8365 -9.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8368 -2.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 -2.9974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1223 -3.8224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4077 -2.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4077 -4.2349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6933 -2.9974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6933 -3.8224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8368 -4.2349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 -2.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5512 -3.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5512 -2.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2658 -4.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 -1.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 3 11 1 6 0 0 0 4 2 1 0 0 0 0 4 1 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 0 0 0 0 6 9 1 6 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 7 10 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 17 21 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 20 1 6 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 1 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 29 32 1 1 0 0 0 34 33 1 0 0 0 0 36 35 1 0 0 0 0 36 44 1 6 0 0 0 37 35 1 0 0 0 0 37 19 1 1 0 0 0 37 38 1 0 0 0 0 38 41 1 1 0 0 0 38 39 1 0 0 0 0 39 42 1 6 0 0 0 39 40 1 0 0 0 0 40 36 1 0 0 0 0 40 43 1 6 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 45 1 1 0 0 0 47 49 1 0 0 0 0 47 52 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 18 1 1 0 0 0 50 51 1 0 0 0 0 50 53 1 1 0 0 0 51 1 1 6 0 0 0 52 54 1 0 0 0 0 53 57 1 0 0 0 0 55 54 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0 0 15.7726 -9.4311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0583 -7.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4870 -8.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4870 -9.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0580 -10.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2003 -11.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9148 -11.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4859 -11.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -4.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3438 -4.4811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3438 -5.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6292 -4.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6292 -5.7186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9148 -4.4811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9148 -5.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0583 -5.7186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2004 -4.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7727 -5.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7727 -4.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4873 -5.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2004 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60 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 M END $$$$ 157006_p OpenBabel02171217032D 47 50 0 0 0 0 0 0 0 0999 V2000 8.5091 -4.5300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5091 -5.3550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7947 -4.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7947 -5.7676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0803 -4.5300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0803 -5.3550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2238 -4.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2238 -5.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7947 -6.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 -5.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 -4.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6515 -4.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 -7.0050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0803 -7.8300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3657 -6.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 -8.2424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6515 -7.0050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6515 -7.8300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7947 -8.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 -9.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9369 -8.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9369 -6.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2225 -7.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9382 -7.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6526 -7.4174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9382 -6.1800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6526 -5.7674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3670 -6.1800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3670 -7.0050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6528 -4.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0814 -5.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0814 -7.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6526 -8.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6528 -1.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9382 -2.0551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9382 -2.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2238 -1.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2238 -3.2926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5094 -2.0551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5094 -2.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6528 -3.2926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 -3.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 -1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 -2.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3670 -2.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3670 -2.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0816 -3.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 1 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 10 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 9 1 6 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 18 21 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 25 33 1 6 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 34 1 1 0 0 0 36 38 1 0 0 0 0 36 41 1 6 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 7 1 1 0 0 0 39 40 1 0 0 0 0 39 43 1 1 0 0 0 40 42 1 6 0 0 0 41 45 1 0 0 0 0 44 43 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 M END $$$$