NMPC 1391-Pentatriacontane (12413)
 OpenBabel01112406453D

107106  0  0  0  0  0  0  0  0999 V2000
    1.4850    0.1708   -0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315   -1.2547   -0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016    0.6238    1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630   -2.3404    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225    2.1167    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7304   -2.3568    1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    2.9891    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7957   -2.3704    1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269    2.6954    0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122   -3.7406    1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961    2.9102    2.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698   -4.8301    2.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079    4.3024    2.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4989   -4.5006    3.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5048    5.4257    1.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0294   -4.4331    3.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0332    5.4418    2.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635   -5.7594    3.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5719    5.7230    3.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1937   -6.9280    4.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1053    7.0774    3.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6144   -6.7551    5.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5669    8.2509    3.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1362   -6.7416    5.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0924    8.3628    3.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7949   -8.0262    5.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7452    8.5729    4.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3325   -9.2734    5.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2985    9.8698    5.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7185   -9.2515    7.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6995   11.1335    4.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2226   -9.1254    7.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2119   11.2769    4.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0109  -10.2753    6.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9700   11.3384    5.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9332    0.8265   -1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    0.2738   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0534   -1.2667   -0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4441   -1.5108   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3039    0.3537    1.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357    0.1115    1.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073   -3.3127   -0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401   -2.2622    0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360    2.3301    2.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505    2.3736    1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930   -3.2157    2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154   -1.5199    2.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853    4.0380    0.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161    2.8728   -0.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364   -2.0747    2.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594   -1.6076    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5478    3.3325    0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891    1.6714    0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3976   -3.6836    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988   -4.0143    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3733    2.7475    2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168    2.1514    2.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -5.7882    1.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110   -4.9886    2.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116    4.3972    3.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826    4.4079    2.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1262   -5.2445    4.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876   -3.5590    3.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939    6.3852    2.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822    5.3494    0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601   -4.1513    4.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -3.6314    2.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    6.1848    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4390    4.4884    1.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7535   -5.6625    3.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4315   -5.9770    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6651    5.6695    3.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2663    4.9335    4.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5763   -7.8649    3.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1062   -7.0449    3.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    7.1925    4.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    7.1046    4.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1675   -7.5539    6.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2001   -5.8309    5.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1336    9.1775    3.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    8.1624    2.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3826   -6.5730    6.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5691   -5.8849    5.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3566    9.1788    2.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5153    7.4633    2.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8821   -7.9179    5.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5910   -8.1645    4.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8334    8.5543    4.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7128    9.8965    6.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3249   12.0077    4.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2012   11.1557    3.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4063   -9.1054    8.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6009   -8.1721    7.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3983   12.1979    3.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5966   10.4598    3.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0672  -10.1797    7.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 37  1  0  0  0  0
  2  4  1  0  0  0  0
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 33100  1  0  0  0  0
 33101  1  0  0  0  0
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 34104  1  0  0  0  0
 35105  1  0  0  0  0
 35106  1  0  0  0  0
 35107  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
12413

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
301

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
32

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
pentatriacontane

>  <PUBCHEM_IUPAC_CAS_NAME>
pentatriacontane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
pentatriacontane

>  <PUBCHEM_IUPAC_NAME>
pentatriacontane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pentatriacontane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pentatriacontane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
VHQQPFLOGSTQPC-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
18.6

>  <PUBCHEM_EXACT_MASS>
492.56340230

>  <PUBCHEM_MOLECULAR_FORMULA>
C35H72

>  <PUBCHEM_MOLECULAR_WEIGHT>
492.9

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
492.56340230

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
35

>  <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_COORDINATE_TYPE>
1
5
255

$$$$
