NMPC 132-1-Trimethylsilylpent-1-en-4-yne (2760860)
  -OEChem-10102316203D

 25 24  0     0  0  0  0  0  0999 V2000
    1.9660   -0.0881    0.0174 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.1382   -1.9377    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8381    0.3220   -1.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8280    0.8418    1.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1768    0.3899   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4017    1.0710   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3095    0.0328    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827    0.6955   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2531   -1.3272   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6610   -2.2103    1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663   -2.5115   -0.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936   -2.2207    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8938    0.0400   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -0.2183   -2.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774    1.3943   -1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837    0.5601    1.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671    1.9217    1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610    0.6107    2.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5459    2.0367    0.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6954    1.2077   -1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401   -0.0863    1.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3425    0.3993    0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9745   -2.0084    0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5020   -1.2429   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627   -1.7840   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2760860

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
7
1 0.54
2 -0.08
3 -0.08
4 -0.08
5 -0.29
6 0.2
8 -0.2

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 9 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
002A209C00000001

> <PUBCHEM_MMFF94_ENERGY>
-2.1383

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 18341325665061357393
12932741 1 17989486294795592669
12932764 1 18343304738699104669
14325111 11 18409166584672271345
170605 34 17560511915260937104
20279233 1 18341038662524884297
20281407 28 18410858776380971593
20645477 70 16702018630382197629
21524375 3 16807597194894282116
21730867 7 18340760477545779210
22169311 21 18337377267308337853
23552423 10 17895758374567182595
3248919 1 17676488336991225065
581208 293 18333728035228449938

> <PUBCHEM_SHAPE_MULTIPOLES>
203.43
6.33
1.5
1.18
4.26
0.74
-0.12
0.68
0.14
-0.11
0.14
-1.25
-0.23
0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
347.818

> <PUBCHEM_SHAPE_VOLUME>
135.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
