7693
  -OEChem-10091907283D

 14 14  0     0  0  0  0  0  0999 V2000
   -3.7540    0.0001   -0.5384 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3786    0.0001   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0017   -0.0002    0.7994 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393   -0.0001    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402   -1.2080    0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0401    1.2079    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3989   -1.2080    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988    1.2080    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    0.0001   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907    0.0000   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4783   -2.1556    0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4784    2.1554    0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9155   -2.1569   -0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153    2.1568   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7693

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
14
1 -0.18
10 0.79
11 0.15
12 0.15
13 0.15
14 0.15
2 -0.49
3 -0.48
4 0.18
5 -0.15
6 -0.15
7 -0.15
8 -0.15
9 0.18

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 3 acceptor
6 4 5 6 7 8 9 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>
1

> <PUBCHEM_CONFORMER_ID>
00001E0D00000001

> <PUBCHEM_MMFF94_ENERGY>
21.8184

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
11206711 2 18337660937156151653
11769659 78 15195272158116676485
12032990 46 18342177812595895043
12897270 3 18410857663689029774
14911166 2 18411132550323071621
14993402 34 18113618988718273541
15310529 11 16660351567916391105
15775835 57 17240488026335814132
16945 1 18410568487814852107
20201158 50 17917716790295143870
20645476 183 17822014241361766114
20653085 51 16877955961493275070
21040471 1 18266448828472371265
21293036 1 18408039628203428581
23235685 24 18335695036013756515
23402655 69 18123726701304604189
23552423 10 18116710922689508968
2748010 2 18049995890300755433
29004967 10 16271923826759873770

> <PUBCHEM_SHAPE_MULTIPOLES>
196.81
5.01
1.21
0.83
0.2
0
0.08
0
1.71
-0.39
-0.11
0.36
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
405.354

> <PUBCHEM_SHAPE_VOLUME>
113.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$