NMPC 1342-Octadecamethyl –cyclononasiloxane(Cyclononasiloxane, octadecamethyl) (11172)
  -OEChem-12162306513D

 90 90  0     0  0  0  0  0  0999 V2000
    0.1124    2.0405    0.2729 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492    1.3378   -2.1118 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.1804    0.8769    2.3818 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6805    1.3989   -0.6703 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.7795    1.0253    0.5631 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8350   -0.6671    1.5812 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.5108   -0.5255   -1.8806 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4772   -2.5986    0.6971 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.3279   -2.5661   -0.7987 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344    1.1627   -0.8753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0341    0.9704    1.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2985    1.8800   -1.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    0.5262    1.7166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813    0.7588    0.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659    0.7208   -0.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4744   -1.2658    0.8258 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606   -1.2005   -1.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0718   -2.0843   -0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    3.3182   -0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    2.9717    1.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0751   -0.2994   -3.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2211    2.5743   -3.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7014   -0.4980    3.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644    2.4720    3.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981    2.8981   -0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6495    0.1576   -1.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1568    2.8583    0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    0.0959    0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4693   -0.3292    3.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2409   -1.9139    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    0.1560   -3.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8279   -1.8058   -2.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091   -3.3244    2.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3140   -3.9320   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2562   -3.8209    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314   -3.3688   -2.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889    3.8747    0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    2.8358   -1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090    4.0348   -1.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5300    3.5768    2.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7180    3.6386    0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    2.2734    1.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1258   -0.6331   -3.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4341   -1.0726   -2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009   -0.1954   -3.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9168    2.6397   -4.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433    2.2678   -3.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1248    3.5697   -2.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210   -0.5596    4.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7089   -0.3116    3.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840   -1.4620    3.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3029    2.6796    3.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0261    2.3956    4.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190    3.3190    2.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2839    3.6605    0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0742    3.3359   -1.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7129    2.6094    0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9098    0.5878   -2.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5751   -0.1251   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0619   -0.7485   -1.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9091    3.1700    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566    3.4576    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5400    3.0731    1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8286    0.3227    1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -0.9838    0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1247    0.3814    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067   -1.2551    3.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6335    0.3695    3.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3433    0.1066    3.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1478   -1.4960    1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4620   -2.1884    0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9773   -2.8242    2.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.9099   -3.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -0.6431   -4.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6688    0.6211   -4.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6693   -1.3420   -2.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060   -2.2680   -1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209   -2.5953   -2.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -3.6864    2.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130   -4.1641    2.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -2.5703    3.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670   -4.8088   -0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2510   -4.2479    0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400   -3.5593   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504   -4.7184    0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025   -3.3974    1.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882   -4.1172   -0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950   -2.6708   -3.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -3.6767   -2.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060   -4.2550   -2.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
 32 76  1  0  0  0  0
 32 77  1  0  0  0  0
 32 78  1  0  0  0  0
 33 79  1  0  0  0  0
 33 80  1  0  0  0  0
 33 81  1  0  0  0  0
 34 82  1  0  0  0  0
 34 83  1  0  0  0  0
 34 84  1  0  0  0  0
 35 85  1  0  0  0  0
 35 86  1  0  0  0  0
 35 87  1  0  0  0  0
 36 88  1  0  0  0  0
 36 89  1  0  0  0  0
 36 90  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11172

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
36
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 -0.59
18 -0.59
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
33 -0.08
34 -0.08
35 -0.08
36 -0.08
4 0.76
5 0.76
6 0.76
7 0.76
8 0.76
9 0.76

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
00002BA400000001

> <PUBCHEM_MMFF94_ENERGY>
-11.9044

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
11112241 14 18272368672592291301
11578080 2 18411702079834451086
12156800 1 18261947556722887647
12422481 6 18187089476799323980
12467345 10 15574703673533293349
13583140 156 16342311361161248418
13642711 20 17703243844320430886
13726171 33 17824009850613502517
144659 39 17604136065131256140
15406563 5 15213569049758213733
161222 619 18128826411536610324
20600515 1 17825399723641935002
20764821 26 18338223878113540819
21033648 29 18336841818426301459
23559900 14 17824273604702569879
3052486 1 17968094261121948095
35225 105 17174845013093977910
4112364 45 16008754589334012413
469060 322 18115864268861800711
508706 21 18410293657553845063
70251023 43 17201930211060837974

> <PUBCHEM_SHAPE_MULTIPOLES>
851.96
11.44
4.7
4.02
0.54
2.39
0.16
-3.85
0.11
0.64
-0.1
-0.61
-0.46
3.71

> <PUBCHEM_SHAPE_SELFOVERLAP>
1502.345

> <PUBCHEM_SHAPE_VOLUME>
554.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
