NMPC 220-2-Bornene (10047)
  -OEChem-10132317093D

 26 27  0     1  0  0  0  0  0999 V2000
   -0.7226   -0.5361    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    0.8881   -0.0891 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6767   -1.1903    0.1819 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9086    0.7362   -1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429   -0.7132   -1.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716    0.8895    1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -0.3611    1.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911   -1.0125   -1.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754   -0.7568    1.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488    2.0561   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787   -2.2666    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239    1.4681   -1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236    0.8467   -2.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151   -1.3325   -1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   -0.7227   -0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0202    1.7450    1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180   -0.7010    2.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -0.4643   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7322   -2.0783   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -0.8850   -2.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9177   -1.8210    1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6161   -0.2144    1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731   -0.4292    2.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007    3.0023   -0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717    1.9672   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7144    2.1250    0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10047

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
16 0.15
17 0.15
2 0.14
3 0.14
6 -0.29
7 -0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0.6

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

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
0000273F00000001

> <PUBCHEM_MMFF94_ENERGY>
55.5375

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 13420230185323425834
13024252 1 11921686877229157123
137420 1 9475573057694607088
15557651 10 17110413335385072288
16945 1 11503913896254855082
5084963 1 8478110875147643390
528886 8 17907049469899721204
68250623 7 11055421286730207816

> <PUBCHEM_SHAPE_MULTIPOLES>
205.8
1.83
1.65
1.51
0.32
0.68
-0.04
-0.38
0.01
0.42
0.14
-0.16
-0.17
0.04

> <PUBCHEM_SHAPE_SELFOVERLAP>
439.647

> <PUBCHEM_SHAPE_VOLUME>
118.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
