NMPC 915-Cycloheptasiloxane, tetradecamethyl- (7874)
  -OEChem-12012312563D

 70 70  0     0  0  0  0  0  0999 V2000
    3.6221    0.1878   -0.0519 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5919   -1.5974   -1.7065 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.4306    1.6879    1.6785 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666   -2.4974    0.7800 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5305    2.3930   -0.7131 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612   -0.9494    1.3575 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.6450   -1.3843 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.6725   -0.3818   -1.3078 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451    0.6230    1.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3867   -1.6565   -0.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861    1.5900    0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.5468    1.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5901    1.3523   -1.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1056   -0.5819   -0.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6271    1.6658   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407   -1.1361    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822   -3.2456   -1.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8237   -1.2211   -3.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082    3.4377    1.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7796    1.2219    3.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -4.1342    0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -2.8895    1.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4237    3.9288   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665    2.9667   -1.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186    0.5522    2.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1112   -2.2541    1.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5356   -0.0813   -3.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4217    1.9210   -0.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    1.3732   -1.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685    2.4581   -1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2318    2.0702    0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4897   -0.7525    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3105   -2.0117    0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4689   -1.4535   -0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595   -3.5219   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -4.0385   -2.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2573   -3.1910   -2.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1037   -1.9977   -3.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5962   -1.1756   -4.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3021   -0.2602   -3.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5107    3.7737    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220    4.1338    2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121    3.4814    2.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    1.2781    4.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226    1.9015    3.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3844    0.2025    3.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343   -4.6682    1.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -3.9676   -0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1717   -4.7709   -0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139   -1.9722    2.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8537   -3.4303    2.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935   -3.5118    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7113    4.6446    0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9595    4.4184   -0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453    3.6684    0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    3.4758   -2.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4697    3.6626   -1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296    2.1153   -2.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4187    1.3509    2.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1363    0.9389    2.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9601    0.2886    3.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9541   -2.5263    2.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1312   -1.8750    1.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102   -3.1561    1.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7989   -0.8365   -3.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5461    0.7031   -3.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5224   -0.5521   -3.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499    2.3629    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197    2.7244   -1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4126    1.4575   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7874

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
28
1 0.76
10 -0.59
11 -0.59
12 -0.59
13 -0.59
14 -0.59
15 -0.08
16 -0.08
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
3 0.76
4 0.76
5 0.76
6 0.76
7 0.76
8 -0.59
9 -0.59

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2.8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
00001EC200000001

> <PUBCHEM_MMFF94_ENERGY>
-7.1639

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10675989 125 16897070644963140256
11370993 70 17749940051659565886
11578080 2 18261122824755468739
12156800 1 17614516700696725911
12467345 10 15791450409269748561
12596599 1 16773511161332147588
144659 39 16443628996014499293
20600515 1 18194713490611055934
20691752 17 17681837297904813661
20764821 26 18259991504520758007
20905425 154 17980455911301989820
23419403 2 18342180024034450376
238 59 18199445762465154845
35225 105 17607488493406431326
469060 322 17324134335238547730
5283178 26 18269282428898451680
70251023 43 17769094545164707415

> <PUBCHEM_SHAPE_MULTIPOLES>
662.63
7.19
4.79
3.35
0.28
0.24
0.29
-0.26
0.51
0.36
-0.43
-0.96
0.17
2.33

> <PUBCHEM_SHAPE_SELFOVERLAP>
1167.44

> <PUBCHEM_SHAPE_VOLUME>
431.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
