COMPND    HMDB0246995
HETATM    1  C1  UNL     1       3.991  -0.348   0.786  1.00  0.00           C  
HETATM    2  S1  UNL     1       3.275   0.094  -0.820  1.00  0.00           S  
HETATM    3  C2  UNL     1       1.481   0.038  -0.639  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.903  -1.150  -0.893  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.432  -1.234  -0.771  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.190  -0.146  -0.399  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.683  -0.268  -0.269  1.00  0.00           C  
HETATM    8  O1  UNL     1      -3.048  -1.568  -0.576  1.00  0.00           O  
HETATM    9  C6  UNL     1      -0.547   1.046  -0.150  1.00  0.00           C  
HETATM   10  N2  UNL     1      -1.311   2.208   0.242  1.00  0.00           N  
HETATM   11  N3  UNL     1       0.787   1.125  -0.273  1.00  0.00           N  
HETATM   12  H1  UNL     1       4.021   0.578   1.413  1.00  0.00           H  
HETATM   13  H2  UNL     1       5.042  -0.716   0.638  1.00  0.00           H  
HETATM   14  H3  UNL     1       3.385  -1.094   1.337  1.00  0.00           H  
HETATM   15  H4  UNL     1      -0.975  -2.160  -0.960  1.00  0.00           H  
HETATM   16  H5  UNL     1      -2.941   0.012   0.750  1.00  0.00           H  
HETATM   17  H6  UNL     1      -3.167   0.386  -1.029  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.386  -2.043   0.243  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.003   2.111   1.011  1.00  0.00           H  
HETATM   20  H9  UNL     1      -1.204   3.131  -0.205  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4   11
CONECT    4    5
CONECT    5    6    6   15
CONECT    6    7    9
CONECT    7    8   16   17
CONECT    8   18
CONECT    9   10   11   11
CONECT   10   19   20
END