COMPND    HMDB0015619
HETATM    1  N1  UNL     1       3.713   2.021   0.429  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.704   1.024   0.397  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.551   1.158   1.144  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.552   0.205   1.133  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.715  -0.916   0.349  1.00  0.00           C  
HETATM    6  S1  UNL     1      -0.464  -2.175   0.249  1.00  0.00           S  
HETATM    7  O1  UNL     1       0.209  -3.509   0.075  1.00  0.00           O  
HETATM    8  O2  UNL     1      -1.236  -2.208   1.554  1.00  0.00           O  
HETATM    9  N2  UNL     1      -1.594  -1.972  -1.021  1.00  0.00           N  
HETATM   10  C5  UNL     1      -2.433  -0.799  -0.988  1.00  0.00           C  
HETATM   11  N3  UNL     1      -2.462   0.176  -0.094  1.00  0.00           N  
HETATM   12  C6  UNL     1      -3.291   1.155  -0.233  1.00  0.00           C  
HETATM   13  C7  UNL     1      -4.124   1.146  -1.321  1.00  0.00           C  
HETATM   14  S2  UNL     1      -3.652  -0.306  -2.097  1.00  0.00           S  
HETATM   15  C8  UNL     1       1.873  -1.062  -0.407  1.00  0.00           C  
HETATM   16  C9  UNL     1       2.859  -0.098  -0.383  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.664   1.829   0.054  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.502   2.955   0.831  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.391   2.026   1.770  1.00  0.00           H  
HETATM   20  H4  UNL     1      -0.344   0.305   1.714  1.00  0.00           H  
HETATM   21  H5  UNL     1      -1.676  -2.659  -1.783  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.354   1.996   0.488  1.00  0.00           H  
HETATM   23  H7  UNL     1      -4.888   1.896  -1.595  1.00  0.00           H  
HETATM   24  H8  UNL     1       2.018  -1.948  -1.037  1.00  0.00           H  
HETATM   25  H9  UNL     1       3.764  -0.241  -0.992  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3    3   16
CONECT    3    4   19
CONECT    4    5    5   20
CONECT    5    6   15
CONECT    6    7    7    8    8
CONECT    6    9
CONECT    9   10   21
CONECT   10   11   11   14
CONECT   11   12
CONECT   12   13   13   22
CONECT   13   14   23
CONECT   15   16   16   24
CONECT   16   25
END