NMPC 1563-Triacontane (12535)
 OpenBabel01112407113D

 92 91  0  0  0  0  0  0  0  0999 V2000
    1.4829    0.1308   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175   -1.3213   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692    0.7824    1.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -2.2710    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5006    2.2880    1.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -2.1135    2.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    3.0605    0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8104   -2.1424    1.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    2.8301    0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3394   -3.5536    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3461    3.2461    1.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0009   -4.5077    2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701    4.6913    2.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086   -4.0075    4.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316    5.7137    1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0368   -3.9049    4.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0616    5.7628    1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7141   -5.2603    3.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6535    6.2332    2.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2711   -6.3262    4.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1948    7.6385    2.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596   -5.9573    6.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5990    8.7245    1.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1749   -5.8656    6.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1149    8.8912    1.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9063   -7.1846    6.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8374    9.2436    3.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4361   -8.3457    7.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3474   10.5487    3.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6507   -8.0746    8.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593    0.6923   -1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5514    0.1852   -0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683   -1.3438   -0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4251   -1.7080   -1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617    0.5684    1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859    0.3598    1.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822   -3.2983    0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223   -2.1772    0.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932    2.6464    2.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    2.4965    0.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -2.8925    2.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0051   -1.2002    2.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    4.1256    0.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7510    2.8006   -0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2425   -1.7241    2.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767   -1.4735    1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5251    3.3822   -0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980    1.7791    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245   -3.5082    1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9327   -3.9537    0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    3.1029    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908    2.5758    2.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4065   -5.4986    2.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797   -4.6694    2.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057    4.9162    3.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    4.7949    2.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387   -4.6672    4.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768   -3.0301    4.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1142    6.6996    1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1811    5.4982    0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3441   -3.4901    5.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983   -3.1875    3.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920    6.4172    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4732    4.7772    0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7984   -5.1255    3.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4946   -5.6259    2.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7460    6.1952    2.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3896    5.5309    3.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7059   -7.2882    4.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1919   -6.4831    4.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5935    7.8690    3.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065    7.6601    3.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2257   -6.6925    7.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -5.0039    6.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1487    9.6751    2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1677    8.5137    0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3779   -5.5260    7.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5972   -5.0848    5.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3094    9.6742    1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5528    7.9739    1.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9804   -7.0275    6.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7879   -7.4656    5.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9105    9.3276    2.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7304    8.4349    3.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9904   -9.2469    6.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3800   -8.5698    7.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4538   11.3715    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9292   10.7914    4.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970   10.4867    3.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7029   -7.8502    8.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3628   -8.9462    9.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0478   -7.2287    9.0528 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 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  4  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  5  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  6  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  7  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  8  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  9  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 10  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 11  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 12  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 13  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 14  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 15  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 16  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 17  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 16 18  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 19  1  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 20  1  0  0  0  0
 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 19 21  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 20 22  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 23  1  0  0  0  0
 21 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 24  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 23 25  1  0  0  0  0
 23 75  1  0  0  0  0
 23 76  1  0  0  0  0
 24 26  1  0  0  0  0
 24 77  1  0  0  0  0
 24 78  1  0  0  0  0
 25 27  1  0  0  0  0
 25 79  1  0  0  0  0
 25 80  1  0  0  0  0
 26 28  1  0  0  0  0
 26 81  1  0  0  0  0
 26 82  1  0  0  0  0
 27 29  1  0  0  0  0
 27 83  1  0  0  0  0
 27 84  1  0  0  0  0
 28 30  1  0  0  0  0
 28 85  1  0  0  0  0
 28 86  1  0  0  0  0
 29 87  1  0  0  0  0
 29 88  1  0  0  0  0
 29 89  1  0  0  0  0
 30 90  1  0  0  0  0
 30 91  1  0  0  0  0
 30 92  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
12535

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
241

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
27

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
triacontane

>  <PUBCHEM_IUPAC_CAS_NAME>
triacontane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
triacontane

>  <PUBCHEM_IUPAC_NAME>
triacontane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
triacontane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triacontane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
JXTPJDDICSTXJX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
15.8

>  <PUBCHEM_EXACT_MASS>
422.485151978

>  <PUBCHEM_MOLECULAR_FORMULA>
C30H62

>  <PUBCHEM_MOLECULAR_WEIGHT>
422.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
422.485151978

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
30

>  <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

$$$$
