NMPC 910-Cyclodecene (5365612)
  -OEChem-12012312553D

 28 28  0     0  0  0  0  0  0999 V2000
   -0.1121    1.7192   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464    1.6801   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588    1.5806    0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890    0.4060    0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    0.9017    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720   -0.8573   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768   -0.5404   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9127   -1.5772   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -1.4351    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -1.8775    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    2.6846   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.9794   -1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2324    1.8614   -0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766    2.5262    0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865    1.0442    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    2.5845    0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9735    0.6305    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    0.1984    1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    0.9051    0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    1.5025   -0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8068   -0.6215   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7452   -1.5745    0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733   -0.9658   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965   -0.5421   -1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4782   -1.0270   -1.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -2.5370   -1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -1.7486    1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601   -2.5259    1.1917 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 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5365612

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
10 -0.29
27 0.15
28 0.15
7 0.14
8 0.14
9 -0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
0051DF6C00000001

> <PUBCHEM_MMFF94_ENERGY>
11.0481

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
14251711 518 18338230475204243859
14251717 144 17546718262876349077
15775835 57 18339653260366969776
16945 1 18270682102889753774
18185500 45 18267300026660913327
22802520 49 18053130533680172342
23552423 10 18335422425717896989
241688 4 18266739258482267769
2748010 2 18338234864613107348
2897 32 18409168830787218892
5084963 1 18201719539600263011
63268167 104 18411699910838712107
66348 1 18410291406442004943

> <PUBCHEM_SHAPE_MULTIPOLES>
205.8
3.02
2.45
0.83
0.11
0.03
-0.01
0.13
0.02
-0.09
-0.02
-0.04
-0.03
-0.13

> <PUBCHEM_SHAPE_SELFOVERLAP>
385.782

> <PUBCHEM_SHAPE_VOLUME>
125.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
