32093
  -OEChem-10241502243D

 18 18  0     0  0  0  0  0  0999 V2000
   -2.3076   -0.8262   -0.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3137    1.4261   -0.1454 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801   -0.8872    0.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362    0.2004   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332   -0.9358    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6887    0.1597   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0866   -2.2862    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4985    1.3362    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6606    1.4746   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.3383   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200   -2.3183    1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511   -2.5897   -0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -3.0353    0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7872    1.9840   -0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9195    1.9058    1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3911    0.9557    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1032    2.4591   -0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5120    0.3782    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
32093

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
4
2
1
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 -0.57
10 0.16
17 0.15
18 0.15
2 -0.62
3 -0.62
4 0.4
5 0.17
6 0.42
7 0.14
8 0.06
9 0.16

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 1 acceptor
1 2 acceptor
1 3 acceptor
6 2 3 4 5 9 10 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
2

> <PUBCHEM_CONFORMER_ID>
00007D5D00000004

> <PUBCHEM_MMFF94_ENERGY>
28.1077

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.301

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 11922861069505403514
14325111 11 18410856581178182912
16945 1 18194967563311185722
18185500 45 18268144249769812843
21040471 1 18337955704877002656
23552423 10 18409168770694600079
241688 4 17112696986517898042
2748010 2 18409450275704309884
29004967 10 18042978583442915761
5084963 1 18273214226628966425
528886 8 18410289177290778904

> <PUBCHEM_SHAPE_MULTIPOLES>
189.96
3.26
1.98
0.64
0.71
0.67
0.01
-0.96
0.06
-0.03
0.11
0.1
0
-0.29

> <PUBCHEM_SHAPE_SELFOVERLAP>
392.475

> <PUBCHEM_SHAPE_VOLUME>
109.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
