14210
  -OEChem-05052413413D

 24 23  0     0  0  0  0  0  0999 V2000
    0.3768    1.9595   -0.0595 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996    0.1305   -0.5279 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6519   -1.0449    0.3904 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    0.1361   -0.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1636   -0.1583   -2.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063    0.6389    1.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934   -0.4274   -0.5353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529    1.7519   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410    0.6084    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650   -2.3613    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1904    0.3896    1.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0104   -1.6232   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132    2.6621   -0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168    1.5795   -1.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2796   -0.3690   -1.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999   -2.3968    0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1097   -2.6955   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -3.0267    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191   -0.1432    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373    1.4634    1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2138    0.0489    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9376   -1.8008   -0.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2232   -1.5234    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -2.4592   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14210

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
89
42
14
6
30
103
94
63
75
38
101
72
70
37
55
81
57
41
93
25
20
62
88
52
3
29
104
74
78
39
69
54
68
9
98
2
95
26
60
85
102
76
100
19
58
15
82
66
77
67
80
61
99
7
97
33
48
96
46
64
31
84
5
71
79
8
53
56
59
21
43
47
51
22
12
40
83
45
36
87
32
92
35
49
10
65
23
91
34
86
27
73
18
11
4
90
28
13
44
50
16
17
24

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
13
1 -0.48
10 0.28
11 0.28
12 0.3
15 0.37
2 1.49
3 -0.55
4 -0.55
5 -0.7
6 -0.57
7 -0.73
8 0.29
9 0.57

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 5 acceptor
1 6 acceptor
1 7 donor

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
0000378200000001

> <PUBCHEM_MMFF94_ENERGY>
8.5564

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 18342731931685177096
12382932 28 18272935985884267425
12932764 1 18268438931786672480
14251711 518 17827358782864205299
15775835 57 18340493265833646627
16945 1 18335423434882295764
17834072 14 18263060245642442293
18511873 20 11602809173278267747
20201158 50 18334286600405390303
20511035 2 17467368728727880861
20653085 51 10447353393353949212
23380061 330 18341046431899163735
2748010 2 17902235503224973045
5084963 1 18272649090716766856
66348 1 18047202026764573355

> <PUBCHEM_SHAPE_MULTIPOLES>
226.2
4.48
2.19
1.25
0.08
0.5
0.18
0.93
-1.08
-0.39
-0.03
0.39
-0.12
-0.03

> <PUBCHEM_SHAPE_SELFOVERLAP>
391.706

> <PUBCHEM_SHAPE_VOLUME>
151.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$