COMPND    HMDB0259083
HETATM    1  C1  UNL     1      -2.468  -0.347   1.384  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.187  -0.198  -0.102  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.445   0.989  -0.452  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.140   1.042  -0.338  1.00  0.00           C  
HETATM    5  N2  UNL     1       0.507  -0.106   0.140  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.946  -0.212   0.325  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.598  -1.321   0.789  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.951  -1.249   0.902  1.00  0.00           C  
HETATM    9 CL1  UNL     1       5.074  -2.497   1.465  1.00  0.00          CL  
HETATM   10  S1  UNL     1       4.316   0.321   0.376  1.00  0.00           S  
HETATM   11  C7  UNL     1       2.735   0.856   0.022  1.00  0.00           C  
HETATM   12  S2  UNL     1       2.174   2.401  -0.588  1.00  0.00           S  
HETATM   13  O1  UNL     1       2.538   3.508   0.383  1.00  0.00           O  
HETATM   14  O2  UNL     1       2.821   2.626  -1.917  1.00  0.00           O  
HETATM   15  N3  UNL     1       0.469   2.261  -0.712  1.00  0.00           N  
HETATM   16  C8  UNL     1      -2.153  -1.419  -0.928  1.00  0.00           C  
HETATM   17  C9  UNL     1      -3.347  -0.573  -0.988  1.00  0.00           C  
HETATM   18  H1  UNL     1      -2.572  -1.417   1.638  1.00  0.00           H  
HETATM   19  H2  UNL     1      -1.620   0.113   1.918  1.00  0.00           H  
HETATM   20  H3  UNL     1      -3.439   0.156   1.628  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.115  -0.947   0.378  1.00  0.00           H  
HETATM   22  H5  UNL     1       2.106  -2.282   1.083  1.00  0.00           H  
HETATM   23  H6  UNL     1      -0.138   3.019  -1.047  1.00  0.00           H  
HETATM   24  H7  UNL     1      -1.551  -1.497  -1.850  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.230  -2.386  -0.376  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.279  -0.966  -0.519  1.00  0.00           H  
HETATM   27  H10 UNL     1      -3.551   0.126  -1.821  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   16   17
CONECT    3    4    4
CONECT    4    5   15
CONECT    5    6   21
CONECT    6    7   11   11
CONECT    7    8    8   22
CONECT    8    9   10
CONECT   10   11
CONECT   11   12
CONECT   12   13   13   14   14
CONECT   12   15
CONECT   15   23
CONECT   16   17   24   25
CONECT   17   26   27
END