82115
  -OEChem-05092418373D

 15 14  0     0  0  0  0  0  0999 V2000
   -0.5035    0.0001    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    0.0004    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.3597    1.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338   -1.6781   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1367    1.3164   -1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758    0.0014    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2315    0.3622    1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870   -0.3983    2.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7885    1.3375    2.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277   -1.6961   -0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7826   -1.9105   -1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830   -2.4650    0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306    1.3286   -1.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876    2.3080   -0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857    1.1269   -2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  3  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
82115

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
1 0.54
2 -0.56
3 -0.08
4 -0.08
5 -0.08
6 0.26

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 2 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
000140C300000001

> <PUBCHEM_MMFF94_ENERGY>
0.0131

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 9496656163234930825
16714656 1 18334845130673758655
24536 1 17632574950885005816
29004967 10 17681548465522127779
5943 1 15801509768354020359

> <PUBCHEM_SHAPE_MULTIPOLES>
136.71
2.34
1.4
1.4
2.16
0.59
-0.21
0
0
-0.75
0.21
-0.75
-0.59
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
223.708

> <PUBCHEM_SHAPE_VOLUME>
94.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$