5370144
  -OEChem-10111915003D

  9  8  0     0  0  0  0  0  0999 V2000
   -2.4444   -0.4950   -0.6961 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3508    1.7608   -0.1707 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -0.4773   -0.3117 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255   -0.1144    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104    0.1206    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602   -0.7946    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4868   -0.9668    1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511    0.7525    1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131   -1.8390    0.4268 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>
5370144

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
2
3
5
4
1

> <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>
0051F12000000002

> <PUBCHEM_MMFF94_ENERGY>
4.9548

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 8934993763514814922
14128692 85 17988075720229819863
14390081 3 13767926831772377647
16714656 1 18270405992427565574
20653085 51 14418427520348306214
23552449 1 18195523688888965600
23552449 11 18268130101999782105
29004967 10 18408048406990072098
5460574 1 11891336456408924474
5943 1 13238177289123852425

> <PUBCHEM_SHAPE_MULTIPOLES>
129.09
3.32
1.36
0.84
0.02
0.81
-0.01
-1.21
-0.79
0.29
-0.11
-0.26
-0.05
-0.1

> <PUBCHEM_SHAPE_SELFOVERLAP>
209.064

> <PUBCHEM_SHAPE_VOLUME>
90

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$