COMPND    HMDB0014649
HETATM    1  C1  UNL     1       1.528   3.273  -1.169  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.169   2.631   0.117  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.961   2.510   1.061  1.00  0.00           O  
HETATM    4  O2  UNL     1      -0.134   2.119   0.311  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.438   1.520   1.538  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.593   2.377   2.620  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.890   1.898   3.874  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.027   0.546   4.015  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.876  -0.295   2.950  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.573   0.166   1.655  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.469  -0.786   0.579  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.603  -2.023   0.914  1.00  0.00           O  
HETATM   13  N1  UNL     1      -0.238  -0.467  -0.761  1.00  0.00           N  
HETATM   14  C10 UNL     1      -0.150  -1.531  -1.758  1.00  0.00           C  
HETATM   15  N2  UNL     1      -0.266  -2.829  -1.578  1.00  0.00           N  
HETATM   16  C11 UNL     1      -0.161  -3.638  -2.579  1.00  0.00           C  
HETATM   17  C12 UNL     1       0.073  -3.099  -3.817  1.00  0.00           C  
HETATM   18  N3  UNL     1       0.227  -3.762  -5.064  1.00  0.00           N1+
HETATM   19  O4  UNL     1       0.147  -4.997  -5.092  1.00  0.00           O  
HETATM   20  O5  UNL     1       0.458  -3.090  -6.227  1.00  0.00           O1-
HETATM   21  S1  UNL     1       0.125  -1.416  -3.436  1.00  0.00           S  
HETATM   22  H1  UNL     1       2.341   4.019  -1.039  1.00  0.00           H  
HETATM   23  H2  UNL     1       0.641   3.799  -1.586  1.00  0.00           H  
HETATM   24  H3  UNL     1       1.860   2.512  -1.899  1.00  0.00           H  
HETATM   25  H4  UNL     1      -0.479   3.448   2.487  1.00  0.00           H  
HETATM   26  H5  UNL     1      -1.007   2.574   4.706  1.00  0.00           H  
HETATM   27  H6  UNL     1      -1.262   0.177   5.016  1.00  0.00           H  
HETATM   28  H7  UNL     1      -0.992  -1.378   3.097  1.00  0.00           H  
HETATM   29  H8  UNL     1      -0.123   0.480  -1.108  1.00  0.00           H  
HETATM   30  H9  UNL     1      -0.251  -4.737  -2.470  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6    6   10
CONECT    6    7   25
CONECT    7    8    8   26
CONECT    8    9   27
CONECT    9   10   10   28
CONECT   10   11
CONECT   11   12   12   13
CONECT   13   14   29
CONECT   14   15   15   21
CONECT   15   16
CONECT   16   17   17   30
CONECT   17   18   21
CONECT   18   19   19   20
END