COMPND    HMDB0014835
HETATM    1 CL1  UNL     1       0.179   1.544   2.630  1.00  0.00          CL  
HETATM    2  C1  UNL     1       1.328   0.765   1.539  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.509   0.279   2.035  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.387  -0.322   1.173  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.135  -0.465  -0.207  1.00  0.00           C  
HETATM    6  N1  UNL     1       3.950  -1.039  -1.090  1.00  0.00           N  
HETATM    7  S1  UNL     1       3.128  -0.915  -2.544  1.00  0.00           S  
HETATM    8  N2  UNL     1       1.752  -0.130  -1.995  1.00  0.00           N  
HETATM    9  C5  UNL     1       1.965   0.020  -0.685  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.056   0.640   0.200  1.00  0.00           C  
HETATM   11  N3  UNL     1      -0.184   1.163  -0.256  1.00  0.00           N  
HETATM   12  C7  UNL     1      -1.385   0.391  -0.300  1.00  0.00           C  
HETATM   13  N4  UNL     1      -1.811  -0.354   0.670  1.00  0.00           N  
HETATM   14  C8  UNL     1      -3.048  -1.001   0.316  1.00  0.00           C  
HETATM   15  C9  UNL     1      -3.531  -0.168  -0.850  1.00  0.00           C  
HETATM   16  N5  UNL     1      -2.286   0.324  -1.395  1.00  0.00           N  
HETATM   17  H1  UNL     1       2.700   0.390   3.095  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.306  -0.692   1.603  1.00  0.00           H  
HETATM   19  H3  UNL     1      -0.187   2.159  -0.566  1.00  0.00           H  
HETATM   20  H4  UNL     1      -2.848  -2.027  -0.108  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.771  -1.037   1.142  1.00  0.00           H  
HETATM   22  H6  UNL     1      -4.110  -0.779  -1.574  1.00  0.00           H  
HETATM   23  H7  UNL     1      -4.145   0.679  -0.455  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.091   0.575  -2.379  1.00  0.00           H  
CONECT    1    2
CONECT    2    3   10   10
CONECT    3    4    4   17
CONECT    4    5   18
CONECT    5    6    6    9
CONECT    6    7
CONECT    7    8
CONECT    8    9    9
CONECT    9   10
CONECT   10   11
CONECT   11   12   19
CONECT   12   13   13   16
CONECT   13   14
CONECT   14   15   20   21
CONECT   15   16   22   23
CONECT   16   24
END