NMPC 1332-n-Tetradecane (12389)
  -OEChem-12162306413D

 44 43  0     0  0  0  0  0  0999 V2000
    0.6498   -0.4194   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    0.4264   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9006    0.4639   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094   -0.4071    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -0.3824   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1845    0.4400    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4601    0.4515   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4345   -0.4444    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342   -0.3941   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7433    0.3508    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9807    0.4887    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9916   -0.5316   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2484   -0.3447    0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2617    0.3025    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338   -1.0528   -0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795   -1.0872    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040    1.0576    0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433    1.1037   -0.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    1.1151   -0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.1141    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8983   -1.0743    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -1.0488   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734   -1.0301   -0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1765   -1.0437    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867    1.0741    0.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012    1.1064   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    1.0822   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4378    1.1293    0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171   -1.1027    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119   -1.0944   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.0399   -0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6952   -1.0502    0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7544    1.0224   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7721    0.9880    0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9175    1.1487    0.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0381    1.1292   -0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9995   -1.1299   -0.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9734   -1.2310    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590   -0.9958   -0.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366   -0.9717    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    0.3061    0.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2972    0.8854    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3239    0.9952   -0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1427   -0.3463    0.0324 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 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12389

> <PUBCHEM_CONFORMER_RMSD>
1.2

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
11

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 13 hydrophobe
1 14 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
0000306500000001

> <PUBCHEM_MMFF94_ENERGY>
-6.2863

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
11315181 36 17917997196368167467
12091667 2 18259985977420048145
14123256 10 18410855455838482259
14251764 18 18411419496729434160
14251764 46 18410856563934776355
17834076 25 18410575088958046215
18006028 8 18060700593574863089
20621476 8 18040996232639457583
22224240 67 16200429174175168582
23521765 1 18341895194640646149
28498 318 18259983752036411598
33684 2 18410573980856496843
42788 4 18410293614413969189
59567204 34 18337106758349570037
8209 1 18410573989451693188

> <PUBCHEM_SHAPE_MULTIPOLES>
288.11
26.88
0.79
0.62
0.29
0
0
-0.38
-1.03
-0.01
0
-0.02
0
-0.04

> <PUBCHEM_SHAPE_SELFOVERLAP>
508.094

> <PUBCHEM_SHAPE_VOLUME>
189.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
