NMPC 972-Disiloxane, 1,1,3,3-tetramethyl (18659)
  -OEChem-12012313163D

 21 20  0     0  0  0  0  0  0999 V2000
   -1.5765    0.0523    0.4855 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5767   -0.0524    0.4856 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.0002    1.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9113    1.5577   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -1.4901   -0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -1.5575   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530    1.4902   -0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    0.1383    1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.1383    1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    2.4729   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164    1.5401   -1.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9669    1.6090   -0.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1101   -1.4636   -0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4620   -1.5985   -1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8915   -2.3802    0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165   -1.5398   -1.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672   -1.6085   -0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641   -2.4729   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1094    1.4642   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4611    1.5983   -1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8907    2.3802    0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18659

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
5
3
2
6

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
9
1 0.66
2 0.66
3 -0.59
4 -0.08
5 -0.08
6 -0.08
7 -0.08
8 -0.2
9 -0.2

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
000048E300000001

> <PUBCHEM_MMFF94_ENERGY>
-0.6428

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12897270 3 18266740375142083597
12932764 1 18336273366129091986
14128692 85 18131080311683975606
15310529 11 18412548733920895591
18342897 96 17967255303569217541
19973954 147 18334296456922850420
20082192 1 18412262813536879016
20651381 6 17702391649810108902
20653085 51 18262523563698635713
20711978 78 16558756736259374495
23235687 12 18410292514496081682
23552423 10 18410855451628320363
24536 1 18342165648768257201
29004967 10 15051463763760024666
5084963 1 18342175574448364226

> <PUBCHEM_SHAPE_MULTIPOLES>
174.61
3.71
1.85
1.06
0
0
-0.17
0
0.53
0
0.57
0
0
0.06

> <PUBCHEM_SHAPE_SELFOVERLAP>
278.507

> <PUBCHEM_SHAPE_VOLUME>
124.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
