COMPND    HMDB0246653
HETATM    1  C1  UNL     1       3.147  -0.006  -0.438  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.699  -0.001  -0.147  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.962  -0.962   0.165  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.394  -0.766   0.404  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.272  -1.152  -0.776  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.684   0.650   0.854  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.028   1.148   0.477  1.00  0.00           C  
HETATM    8  S1  UNL     1       0.644   1.450  -0.159  1.00  0.00           S  
HETATM    9  H1  UNL     1       3.726   0.204   0.502  1.00  0.00           H  
HETATM   10  H2  UNL     1       3.389   0.814  -1.146  1.00  0.00           H  
HETATM   11  H3  UNL     1       3.511  -0.995  -0.797  1.00  0.00           H  
HETATM   12  H4  UNL     1      -0.695  -1.415   1.257  1.00  0.00           H  
HETATM   13  H5  UNL     1      -0.632  -1.335  -1.688  1.00  0.00           H  
HETATM   14  H6  UNL     1      -1.994  -0.377  -1.052  1.00  0.00           H  
HETATM   15  H7  UNL     1      -1.792  -2.111  -0.580  1.00  0.00           H  
HETATM   16  H8  UNL     1      -0.398   0.804   1.901  1.00  0.00           H  
HETATM   17  H9  UNL     1      -2.078   1.597  -0.550  1.00  0.00           H  
HETATM   18  H10 UNL     1      -2.267   2.017   1.160  1.00  0.00           H  
HETATM   19  H11 UNL     1      -2.846   0.436   0.612  1.00  0.00           H  
CONECT    1    2    9   10   11
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    6   12
CONECT    5   13   14   15
CONECT    6    7    8   16
CONECT    7   17   18   19
END