519960
  DSViewer          3D                             0

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.0674    0.6797    0.8921 C   0  0  3  0  0  0  0  0  0  1
    5.2330    1.7325    0.2130 C   0  0  3  0  0  0  0  0  0  2
    6.7403    1.6820   -0.0876 C   0  0  3  0  0  0  0  0  0  3
    5.9063   -0.6944    0.0870 C   0  0  3  0  0  0  0  0  0  4
    5.7180   -0.0209   -1.1668 C   0  0  3  0  0  0  0  0  0  5
    4.4970    0.9408   -0.7837 C   0  0  3  0  0  0  0  0  0  6
    6.9191    0.9574   -1.4388 C   0  0  0  0  0  0  0  0  0  7
    3.2812    0.2941    0.0371 C   0  0  3  0  0  0  0  0  0  8
    4.5438   -1.6544    0.1338 C   0  0  0  0  0  0  0  0  0  9
    6.2763    0.8059    2.4140 C   0  0  0  0  0  0  0  0  0 10
    3.1367   -1.0122   -0.4842 C   0  0  0  0  0  0  0  0  0 11
    7.1680   -1.5721    0.1813 C   0  0  0  0  0  0  0  0  0 12
    2.0448    1.2392    0.0824 C   0  0  0  0  0  0  0  0  0 13
    0.9299    0.5674    0.9042 C   0  0  0  0  0  0  0  0  0 14
    1.5079    1.5239   -1.3385 C   0  0  0  0  0  0  0  0  0 15
    4.8222    2.5632    0.8024 H   0  0  0  0  0  0  0  0  0 16
    7.3724    2.4948    0.2951 H   0  0  0  0  0  0  0  0  0 17
    5.5355   -0.7484   -1.9712 H   0  0  0  0  0  0  0  0  0 18
    4.2069    1.4480   -1.7096 H   0  0  0  0  0  0  0  0  0 19
    6.7632    1.6051   -2.3015 H   0  0  0  0  0  0  0  0  0 20
    7.8786    0.4491   -1.5340 H   0  0  0  0  0  0  0  0  0 21
    3.5639    0.0740    1.0726 H   0  0  0  0  0  0  0  0  0 22
    4.7636   -2.5626   -0.4275 H   0  0  0  0  0  0  0  0  0 23
    4.3575   -1.9079    1.1774 H   0  0  0  0  0  0  0  0  0 24
    6.8955   -0.0192    2.7659 H   0  0  0  0  0  0  0  0  0 25
    5.3102    0.7749    2.9177 H   0  0  0  0  0  0  0  0  0 26
    6.7713    1.7513    2.6361 H   0  0  0  0  0  0  0  0  0 27
    2.2487   -1.5152   -0.1013 H   0  0  0  0  0  0  0  0  0 28
    3.1199   -1.0237   -1.5740 H   0  0  0  0  0  0  0  0  0 29
    7.0130   -2.4937   -0.3796 H   0  0  0  0  0  0  0  0  0 30
    7.3669   -1.8122    1.2258 H   0  0  0  0  0  0  0  0  0 31
    8.0186   -1.0325   -0.2353 H   0  0  0  0  0  0  0  0  0 32
    2.3265    2.1868    0.5629 H   0  0  0  0  0  0  0  0  0 33
    0.0598    1.2227    0.9410 H   0  0  0  0  0  0  0  0  0 34
    1.2867    0.3807    1.9171 H   0  0  0  0  0  0  0  0  0 35
    0.6528   -0.3777    0.4371 H   0  0  0  0  0  0  0  0  0 36
    0.6448    2.1865   -1.2753 H   0  0  0  0  0  0  0  0  0 37
    1.2122    0.5868   -1.8102 H   0  0  0  0  0  0  0  0  0 38
    2.2876    1.9996   -1.9335 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  6  8  1  0  0  0
  6 19  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8 11  1  0  0  0
  8 13  1  0  0  0
  8 22  1  0  0  0
  9 11  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
519960

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYMAAAAwAAAABgAAAAAAAAAAGAAAAAAADwCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
XBWACJDEQIZTPR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1CCC2(C3C1C4C2(C4C3)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1CCC2(C3C1C4C2(C4C3)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
7

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  10  3
2  16  3
3  17  3
4  12  3
5  18  3
6  19  3
8  22  3

$$$$