COMPND    HMDB0060842
HETATM    1  C1  UNL     1      -5.626   0.405   1.363  1.00  0.00           C  
HETATM    2  N1  UNL     1      -5.431  -0.943   0.876  1.00  0.00           N  
HETATM    3  C2  UNL     1      -4.606  -0.884  -0.332  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.227  -0.444   0.078  1.00  0.00           C  
HETATM    5  O1  UNL     1      -2.366  -0.361  -1.027  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.044   0.038  -0.802  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.582   0.343   0.454  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.715   0.723   0.596  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.608   0.821  -0.470  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.963   1.259  -0.191  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.943   0.241   0.257  1.00  0.00           C  
HETATM   12  S1  UNL     1       5.594   1.019   0.553  1.00  0.00           S  
HETATM   13  C10 UNL     1       6.572  -0.321  -0.100  1.00  0.00           C  
HETATM   14  O2  UNL     1       7.815  -0.373  -0.148  1.00  0.00           O  
HETATM   15  N2  UNL     1       5.641  -1.282  -0.536  1.00  0.00           N  
HETATM   16  C11 UNL     1       4.336  -0.765  -0.747  1.00  0.00           C  
HETATM   17  O3  UNL     1       3.598  -1.154  -1.719  1.00  0.00           O  
HETATM   18  C12 UNL     1       1.154   0.518  -1.731  1.00  0.00           C  
HETATM   19  C13 UNL     1      -0.169   0.129  -1.881  1.00  0.00           C  
HETATM   20  H1  UNL     1      -4.817   0.750   2.011  1.00  0.00           H  
HETATM   21  H2  UNL     1      -5.788   1.081   0.480  1.00  0.00           H  
HETATM   22  H3  UNL     1      -6.566   0.407   1.980  1.00  0.00           H  
HETATM   23  H4  UNL     1      -4.857  -1.437   1.602  1.00  0.00           H  
HETATM   24  H5  UNL     1      -5.115  -0.164  -1.003  1.00  0.00           H  
HETATM   25  H6  UNL     1      -4.533  -1.899  -0.745  1.00  0.00           H  
HETATM   26  H7  UNL     1      -3.208   0.526   0.601  1.00  0.00           H  
HETATM   27  H8  UNL     1      -2.824  -1.224   0.755  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.278   0.267   1.284  1.00  0.00           H  
HETATM   29  H10 UNL     1       1.058   0.961   1.603  1.00  0.00           H  
HETATM   30  H11 UNL     1       2.899   2.021   0.645  1.00  0.00           H  
HETATM   31  H12 UNL     1       3.347   1.792  -1.103  1.00  0.00           H  
HETATM   32  H13 UNL     1       3.699  -0.214   1.242  1.00  0.00           H  
HETATM   33  H14 UNL     1       5.873  -2.298  -0.698  1.00  0.00           H  
HETATM   34  H15 UNL     1       1.764   0.575  -2.616  1.00  0.00           H  
HETATM   35  H16 UNL     1      -0.540  -0.115  -2.878  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6
CONECT    6    7    7   19
CONECT    7    8   28
CONECT    8    9    9   29
CONECT    9   10   18
CONECT   10   11   30   31
CONECT   11   12   16   32
CONECT   12   13
CONECT   13   14   14   15
CONECT   15   16   33
CONECT   16   17   17
CONECT   18   19   19   34
CONECT   19   35
END