10106
  -OEChem-10261507573D

 29 30  0     0  0  0  0  0  0999 V2000
    0.4577   -0.6349    0.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044    0.1807    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366   -0.1564    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2326   -0.2276   -1.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    1.5899    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   -0.4651   -1.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    1.3519    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214   -0.0522    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9047   -0.8124    0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9195    0.7658   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2865   -1.5397    0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213    0.5452   -2.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7236   -1.1591   -1.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784    1.9658    1.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633    2.3182   -0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842   -1.5132   -1.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156    0.1663   -2.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0801    1.9460   -0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477    1.6117    1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028    0.2505    1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7825   -0.4374    0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0443   -0.6328    1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -1.8995    0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9181    0.4707   -1.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9366    0.6198    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010    1.8367   -0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.9128   -0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -1.7012    0.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611   -2.1592    0.9983 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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10106

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
3
1 -0.56
2 0.28
3 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 1 acceptor
3 8 10 11 hydrophobe
7 1 2 3 4 5 6 7 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
1

> <PUBCHEM_CONFORMER_ID>
0000277A00000001

> <PUBCHEM_MMFF94_ENERGY>
42.3199

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10219947 1 17704068473798470816
11769659 78 17894623747482155466
12423570 1 11654286564245260892
12932764 1 18261688055088636795
13024252 1 17972299743037865546
14128692 85 17676213476338165626
14993402 34 17632287991098194188
16945 1 18269847436109604528
20653091 64 18338528554487454944
21501502 16 18338237188559718433
23402539 116 18199453408166532845
23552423 10 17968381246356823339
2748010 2 18340769350668774069
29004967 10 18060429001222577986
3248919 1 17775294858663022579
369184 2 18408036308030132968
5084963 1 16559032683729005429
68250623 7 18196367241718937094

> <PUBCHEM_SHAPE_MULTIPOLES>
220.51
3.69
1.41
1.11
0.78
0.24
0.39
-0.63
-0.58
0.15
-0.22
-0.18
-0.21
0.23

> <PUBCHEM_SHAPE_SELFOVERLAP>
459.076

> <PUBCHEM_SHAPE_VOLUME>
130.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
