6505803
  -OEChem-08061204363D

 85 86  0     1  0  0  0  0  0999 V2000
   -1.1329    3.5906   -1.2231 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7438    1.2588   -1.6675 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0437    0.9832   -0.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659   -1.2528   -1.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878   -0.9137    2.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3094   -1.7042   -0.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359   -4.5859   -1.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806    1.7566    1.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2227    0.7139    0.2561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9927   -3.0042    0.5509 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800    2.7860   -0.2848 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866    3.0556   -0.2857 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9311    1.9808    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2439    2.4468    1.2056 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0247    2.5425   -1.1017 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4038    2.4677   -0.3938 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9024    1.3121    2.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0223    3.6603    2.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4449    1.6002    0.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1290    0.0328    1.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216    3.8655   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2146    0.5212    1.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908   -0.0625    0.1985 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1967   -0.1677    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0772   -1.0188    1.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403    4.5965   -2.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411   -1.0060   -0.8904 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0766   -0.1741    2.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037   -2.1863    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3082   -1.4352   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -2.3666   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332   -2.3432   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5818    1.2262   -1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915   -2.8513   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861   -4.1068   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6961    1.8299    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899   -2.0842   -2.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806   -4.7709    0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -4.1683    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7372    2.1620   -0.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089   -6.1752    0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9233    1.9886   -1.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1202    3.8696    0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1943    1.1677   -0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744    1.5569    1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9528    2.7447    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    3.1617   -1.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866    2.0513   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909    1.1093    2.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8553    1.6705    2.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496    3.4576    2.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194    4.5400    1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450    3.9252    2.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    1.9330    1.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    3.8341    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    4.4904   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638    4.3756    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523    1.3529   -2.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0163   -0.6279    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    4.1820   -2.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389    5.1664   -1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323    5.3057   -2.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087   -0.5119   -1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0268   -0.1509    2.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818   -1.2183    2.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217    0.2945    3.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3407    1.3828    1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2573   -3.2101   -0.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -2.9282    0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -2.7393    1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8358    0.4342   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7378    1.7818   -1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965   -2.2728   -0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0109   -2.0287   -3.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3227   -1.7440   -3.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2392   -3.1328   -2.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430   -4.7342    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5922    3.0449   -0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105   -6.8179   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -6.1955    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3549   -6.6112    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233    3.5034    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3597    2.8063   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1212    1.1319   -2.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7201    2.7102   -1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 26  1  0  0  0  0
  2 15  1  0  0  0  0
  2 58  1  0  0  0  0
  3 23  1  0  0  0  0
  3 36  1  0  0  0  0
  4 27  1  0  0  0  0
  4 37  1  0  0  0  0
  5 25  2  0  0  0  0
  6 30  2  0  0  0  0
  7 35  2  0  0  0  0
  8 36  2  0  0  0  0
  9 24  1  0  0  0  0
  9 33  1  0  0  0  0
  9 67  1  0  0  0  0
 10 29  1  0  0  0  0
 10 35  1  0  0  0  0
 10 70  1  0  0  0  0
 11 36  1  0  0  0  0
 11 82  1  0  0  0  0
 11 83  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 48  1  0  0  0  0
 17 20  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 22  2  0  0  0  0
 19 54  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 27  1  0  0  0  0
 23 59  1  0  0  0  0
 24 30  1  0  0  0  0
 25 29  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 32  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 31 68  1  0  0  0  0
 32 34  2  0  0  0  0
 32 69  1  0  0  0  0
 33 40  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 39  1  0  0  0  0
 34 73  1  0  0  0  0
 35 38  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 39  2  0  0  0  0
 38 41  1  0  0  0  0
 39 77  1  0  0  0  0
 40 42  2  0  0  0  0
 40 78  1  0  0  0  0
 41 79  1  0  0  0  0
 41 80  1  0  0  0  0
 41 81  1  0  0  0  0
 42 84  1  0  0  0  0
 42 85  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6505803

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
3
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
51
1 -0.56
10 -0.54
11 -0.8
12 0.28
15 0.28
16 0.14
17 0.14
19 -0.29
2 -0.68
20 -0.12
22 -0.28
23 0.42
24 0.11
25 0.54
26 0.28
27 0.42
28 0.14
29 0.12
3 -0.43
30 0.54
31 -0.14
32 -0.29
33 0.51
34 -0.15
35 0.62
36 0.78
37 0.28
38 -0.12
39 -0.15
4 -0.56
40 -0.29
41 0.14
42 -0.3
5 -0.57
54 0.15
58 0.4
6 -0.57
67 0.4
68 0.15
69 0.15
7 -0.57
70 0.37
73 0.15
77 0.15
78 0.15
8 -0.57
82 0.37
83 0.37
84 0.15
85 0.15
9 -0.87

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
8.8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
14
1 1 acceptor
1 10 donor
1 11 donor
1 2 acceptor
1 2 donor
1 4 acceptor
1 42 hydrophobe
1 5 acceptor
1 6 acceptor
1 7 acceptor
1 8 acceptor
1 9 cation
1 9 donor
6 20 24 25 29 30 31 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
118

> <PUBCHEM_CONFORMER_ID>
0063454B00000001

> <PUBCHEM_MMFF94_ENERGY>
125.0355

> <PUBCHEM_FEATURE_SELFOVERLAP>
71.042

> <PUBCHEM_SHAPE_FINGERPRINT>
10049733 16 18050829054497077268
10675989 125 18339645666933498891
11093857 51 18127386025624201542
11513181 2 17895181216988917670
1361 2 18410579517428180457
13636023 20 18188228536929372271
14117953 113 18338806718424253270
14725015 67 17984994948857831994
15297060 5 18260828168128553683
15781502 589 17985845944908085009
20764821 26 18051693549160464706
20775438 99 17260795078715208821
21133410 38 18042955648755450969
22121540 332 17533783703029666456
23559900 14 18261397685135332993
354706 109 18190765062704218984
4017518 198 18335420162592087054
4394409 98 18341616984219330533
4403749 210 17683534940175575584
45266715 3 18335704953167200581
463206 1 17903914453016788923
5265222 85 18341333275981295925
6371009 1 18264496255105243442
9961470 85 18409733967349168210

> <PUBCHEM_SHAPE_MULTIPOLES>
802.44
13.43
7.56
2.01
9.79
7
-0.02
-8.27
-4.37
-2.32
-0.98
-0.41
-0.75
1.37

> <PUBCHEM_SHAPE_SELFOVERLAP>
1643.5

> <PUBCHEM_SHAPE_VOLUME>
457.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
10384072
  -OEChem-08061204333D

 37 41  0     0  0  0  0  0  0999 V2000
   -3.0046   -0.6719   -2.5500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7715    3.0137   -0.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829    2.3725    0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    0.8289   -0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7202   -2.2526    0.1183 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578    3.0675    0.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171   -0.0542    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363    1.0341    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120   -1.3199    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365   -0.2648    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    0.8465    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -0.3997    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9506   -1.6454    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -1.5156    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835    2.4744    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5856    2.1600    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9603   -0.5921    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718    0.5736   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2268   -2.2222    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    0.0121   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3280   -1.3669    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7227   -0.7272   -0.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5872   -0.6439    1.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1026   -0.9130   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9671   -0.8296    1.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7248   -0.9641    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0888   -2.5250    0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5754   -3.2522    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620    1.6518   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6981    4.0713   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3593   -3.2988    0.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291   -1.7911   -0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0144   -0.5408    2.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7082   -1.0196   -1.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4517   -0.8692    2.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7992   -1.1086    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463    1.7543   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  4 20  1  0  0  0  0
  4 37  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 27  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  0  0  0  0
 24 26  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  2  0  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10384072

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
2
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
33
1 -0.18
11 0.09
13 -0.15
14 -0.15
15 0.54
16 0.54
18 -0.15
19 -0.15
2 -0.57
20 0.08
21 -0.15
22 0.18
23 -0.15
24 -0.15
25 -0.15
26 -0.15
27 0.15
28 0.27
29 0.15
3 -0.57
30 0.37
31 0.15
32 0.15
33 0.15
34 0.15
35 0.15
36 0.15
37 0.45
4 -0.53
5 0.03
6 -0.49
8 0.09
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
11
1 2 acceptor
1 3 acceptor
1 4 donor
1 5 cation
1 5 donor
1 6 donor
5 5 7 9 10 13 rings
5 6 8 11 15 16 rings
6 10 13 18 19 20 21 rings
6 17 22 23 24 25 26 rings
6 7 8 9 11 12 14 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
66

> <PUBCHEM_CONFORMER_ID>
009E72C800000002

> <PUBCHEM_MMFF94_ENERGY>
75.3025

> <PUBCHEM_FEATURE_SELFOVERLAP>
56.083

> <PUBCHEM_SHAPE_FINGERPRINT>
10411042 1 18411135861436999051
10670039 82 18271509997561577972
10906281 52 18267282326989942754
1100329 8 18267020553244737066
12166972 35 17775563152670159798
12236239 1 17749388135967796443
12422481 6 17677601133164032863
12516196 113 18409448072497103675
12553582 1 18409177605395101930
12788726 201 18343026635060595601
13140716 1 18122902027910551738
13544653 18 18413103978597388927
13583140 156 5112007240028226415
13690498 29 17973991049936662430
13782708 43 17488741173741770787
13862211 1 18410858758911439274
13911987 19 18272089370610628534
14347332 77 18118116099278456902
14787075 74 18343861104631243690
14790565 3 18410281497958410016
14840074 17 18113900442098978102
15196674 1 18339078302244034648
15849732 13 17894911820156230823
15927050 60 17687460162099435748
16087824 20 18194683899031185397
17349148 13 18131068268537564378
17357779 13 18341625818787444141
17492 89 18195528327644140690
1813 80 18188195585333421127
18222031 100 18335431148807122211
19319366 153 18131352982168283338
19489759 90 15410898469787231807
200 152 18410860974998272655
21029758 11 18410858754378763872
21033648 29 17845671269251899621
21236236 1 18337670918470165353
21267235 1 18410847794329385426
21641784 216 18058713806402615308
21792934 111 18337966669886454808
21792961 116 17988087797614896895
22182313 1 18269297714635018525
23175994 123 18343862212975340575
23352939 185 18260544524246261552
23402539 116 18335707173349021358
23559900 14 18270122305463654393
23569914 152 17112998793939023303
24771293 8 18115315458415445392
25147074 1 18336809945094845569
314194 84 18409166597383509259
329604 57 18272928328073298238
335352 9 18410856582106604573
34934 24 18195809789614026001
350125 39 18410007736853745873
46194498 28 17417813885587222053
5104073 3 18338239396542083706
5283173 99 17916595374170790565
550186 7 14780092212487594235
9709674 26 17830735718185971470
9849439 229 15289817089174326035

> <PUBCHEM_SHAPE_MULTIPOLES>
509.37
11.91
2.73
1.15
4.02
2.16
-0.51
-5.08
0.42
1.11
0.07
-1.95
-0.37
-0.12

> <PUBCHEM_SHAPE_SELFOVERLAP>
1173.913

> <PUBCHEM_SHAPE_VOLUME>
264.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$