NMPC 1111-Hexadecamethylcyclooctasiloxane (Cyclooctasiloxane, hexadecamethyl) (11170)
  -OEChem-12162301343D

 80 80  0     0  0  0  0  0  0999 V2000
    4.5265   -0.2164    0.1178 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.4189    1.4904    1.7626 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.3488   -1.2996   -1.9220 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149    2.3595    0.0631 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -2.3601    0.0641 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3471    1.2982   -1.9237 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -1.4921    1.7606 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5255    0.2208    0.1184 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    0.3045    1.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803   -1.2257   -0.9132 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1848    1.4792    0.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -1.3812   -0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561    1.3810   -1.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840   -1.4793    0.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6777    1.2281   -0.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5284   -0.3032    1.3562 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    1.2416   -0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9796   -1.1672    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7344    1.1411    3.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    3.1741    1.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4855   -2.8095   -3.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741    0.2114   -3.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2223    2.9092    1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4953    3.9046   -0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -2.9122    1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4949   -3.9036   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4832    2.8054   -3.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751   -0.2159   -3.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2599   -3.1748    1.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7395   -1.1490    3.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9750    1.1755    0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2496   -1.2348   -0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    1.8479   -1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333    1.8802   -0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8988    0.8903   -1.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210   -2.0341    1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6473   -1.5196    0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516   -0.5270    1.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    1.1618    4.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2647    0.1541    3.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9863    1.8887    3.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525    3.9427    2.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    3.4565    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    3.1580    2.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017   -2.8966   -3.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3687   -2.7326   -3.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733   -3.7224   -2.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.1275   -2.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1782    0.2816   -3.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    0.1501   -3.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797    2.0470    2.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913    3.4553    1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    3.5672    2.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    4.4862   -1.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    3.6342   -1.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645    4.5412   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745   -3.5699    2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0898   -3.4592    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5795   -2.0508    2.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0653   -4.5404   -0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1417   -3.6319   -1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462   -4.4857   -1.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5692    3.7200   -2.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5998    2.8898   -3.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3671    2.7280   -3.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1797   -0.2864   -3.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -0.1573   -3.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876   -1.1304   -2.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589   -3.9453    2.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290   -3.4539    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1076   -3.1593    2.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689   -0.1626    3.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928   -1.8982    3.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -1.1712    4.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5482    0.5368    1.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6426    1.5300    0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6134    2.0413    1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4573   -1.8431   -1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9027   -0.8815   -1.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8382   -1.8721   -0.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
 32 78  1  0  0  0  0
 32 79  1  0  0  0  0
 32 80  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11170

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
32
1 0.76
10 -0.59
11 -0.59
12 -0.59
13 -0.59
14 -0.59
15 -0.59
16 -0.59
17 -0.08
18 -0.08
19 -0.08
2 0.76
20 -0.08
21 -0.08
22 -0.08
23 -0.08
24 -0.08
25 -0.08
26 -0.08
27 -0.08
28 -0.08
29 -0.08
3 0.76
30 -0.08
31 -0.08
32 -0.08
4 0.76
5 0.76
6 0.76
7 0.76
8 0.76
9 -0.59

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3.2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
00002BA200000001

> <PUBCHEM_MMFF94_ENERGY>
-10.099

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12156800 1 16302070395283988356
12467345 10 15841833347737477287
13402501 40 18410855442948292664
13617811 41 17531246111713099781
13726171 33 17462325513852582581
144659 39 17968380155757247852
16067690 210 17386010606143016749
20600515 1 17896058644605442143
20764821 26 18338232794549614718
238 59 18058428968466179528
35225 105 17971442209914999582
392239 28 18411699850698568447
469060 322 17970929772692729869
508706 21 18334292098222024595

> <PUBCHEM_SHAPE_MULTIPOLES>
757.29
9.98
4.42
3.66
0.01
0
0.42
-0.01
-0.68
0
0.05
0
0
3.03

> <PUBCHEM_SHAPE_SELFOVERLAP>
1334.967

> <PUBCHEM_SHAPE_VOLUME>
493.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
