NMPC 1550-Trans-decahyronaphthalene (7044)
  -OEChem-12162311293D

 28 29  0     0  0  0  0  0  0999 V2000
    0.0000   -0.7241   -0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7242    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652   -1.4663    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -1.4664    0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652    1.4664   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2652    1.4663   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288   -0.7232   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289   -0.7231   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5289    0.7230    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    0.7231    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.6944   -1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.6946    1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783   -2.4766   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2647   -1.5807    1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2647   -1.5810    1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782   -2.4765   -0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783    2.4766    0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646    1.5808   -1.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2647    1.5807   -1.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    2.4765    0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064   -0.7387   -1.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4115   -1.2428    0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4116   -1.2427    0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6068   -0.7387   -1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064    0.7387    1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4115    1.2426   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115    1.2428   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064    0.7387    1.3374 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  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7044

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
6 1 2 3 5 7 9 rings
6 1 2 4 6 8 10 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
00001B8400000001

> <PUBCHEM_MMFF94_ENERGY>
6.2607

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.165

> <PUBCHEM_SHAPE_FINGERPRINT>
12524768 44 18268996396961621783
12897270 3 18410009961461493687
14128692 85 18342178864403667460
14325111 11 18411699889358821657
15775835 57 18411428297101807112
16945 1 18408604759826104326
17844478 74 18113632178858277457
19973954 147 18410858784438149652
20201158 50 18411134736087106070
21040471 1 18410293579790506180
21501502 16 18411700988864888837
23235685 24 18410568491904337680
23402655 69 18269541776958339493
23552423 10 18334296504177799902
241688 4 18336546010547689920
2748010 2 18266744760308993654
29004967 10 18334297599426083010
369184 2 18413669106241641123
5084963 1 18343301470012636777
528886 8 18410851079261546027
63268167 104 18411139091199632233
66348 1 18410293579626904438

> <PUBCHEM_SHAPE_MULTIPOLES>
205.8
3.81
1.79
0.67
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
411.981

> <PUBCHEM_SHAPE_VOLUME>
118.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
