NMPC 941-Cyclotrisiloxane, hexamethyl- (10914)
  -OEChem-12012313073D

 30 30  0     0  0  0  0  0  0999 V2000
    1.7811   -0.2764   -0.0007 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1298   -1.4043    0.0010 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    1.6804   -0.0004 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.5673   -1.4639    0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9840    1.2229   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510    0.2406    0.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -0.4390    1.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556   -0.4465   -1.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104   -2.2491   -1.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8121   -2.2524    1.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    2.6926   -1.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401    2.6951    1.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -1.4131    1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    0.3389    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509   -0.3433    2.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3530   -1.4208   -1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -0.3553   -2.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    0.3313   -1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274   -1.7728   -2.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215   -3.3041   -1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027   -2.1924   -1.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300   -1.7780    2.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9045   -2.1957    1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -3.3074    1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1061    2.9696   -1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530    3.6104   -1.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8298    2.1229   -2.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451    3.6130    1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983    2.9721    1.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    2.1270    2.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10914

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 0.76
10 -0.08
11 -0.08
12 -0.08
2 0.76
3 0.76
4 -0.59
5 -0.59
6 -0.59
7 -0.08
8 -0.08
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
6 1 2 3 4 5 6 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
00002AA200000001

> <PUBCHEM_MMFF94_ENERGY>
6.9343

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
1 1 17325753786980254628
100427 49 18121218950444122271
11129358 1 14375348268055920977
12326174 3 17617376629113503530
12524768 44 17909270522111450382
14181834 199 17406530976494101551
14817 1 13282214348886907717
15852999 172 17686597070729621804
16945 1 18260831458015440069
20511035 2 16464438734895832208
20645476 183 17533792502615802190
20711985 344 18410017628157614574
21041028 32 17907892782385857425
21524375 3 17906737998897892803
21947302 44 17253117223130481383
22802520 49 18126594265624964902
23419403 2 17260406864647047237
23526113 38 17246358443265372275
23557571 272 18272643584948280550
23559900 14 17769661906904441278
257057 1 17979884380056840262
2748010 2 18266175230460387101
5084963 1 17831584175736628438
528862 383 17398966353732939467
5845 1 18130226085173964622
68419 9 17822018566868190646
7364860 26 17336197425167469963
81228 2 18410575067483209874

> <PUBCHEM_SHAPE_MULTIPOLES>
283.98
3.4
3.4
1.74
1.72
2.55
0
-2.55
0
-1.72
0
0
0
0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
498.548

> <PUBCHEM_SHAPE_VOLUME>
186.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
