5370145
  -OEChem-10111915003D

  9  8  0     0  0  0  0  0  0999 V2000
   -1.4535    1.7367   -0.4898 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167   -1.9182   -0.1622 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3224    0.6647   -0.0065 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    0.6354    0.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1152   -0.5230    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800   -0.5956   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533    0.3113    1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459    1.2152    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387   -1.4700   -0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5370145

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
1 -0.29
2 -0.14
3 -0.14
4 0.43
6 -0.01
9 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
0051F12100000001

> <PUBCHEM_MMFF94_ENERGY>
3.5529

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
16714656 1 18340774852521867259
20096714 4 18193280697799789024
21040471 1 18338517417827082224
23552449 1 18339076115741950404
24536 1 17560810887791765690
29004967 10 17834116720504351754
5943 1 15830579532821275603

> <PUBCHEM_SHAPE_MULTIPOLES>
129.09
2.49
2.04
0.78
1.67
0.15
-0.04
-0.61
0.18
-1.35
0.31
-0.12
-0.12
0.1

> <PUBCHEM_SHAPE_SELFOVERLAP>
208.841

> <PUBCHEM_SHAPE_VOLUME>
90.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$