COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.883   0.751   0.056  1.00  0.00           C  
HETATM    2  C   UNL     1       6.893  -0.181  -0.056  1.00  0.00           C  
HETATM    3  C   UNL     1       6.596  -1.532  -0.156  1.00  0.00           C  
HETATM    4  C   UNL     1       5.287  -1.964  -0.144  1.00  0.00           C  
HETATM    5  C   UNL     1       4.248  -1.038  -0.031  1.00  0.00           C  
HETATM    6  C   UNL     1       4.550   0.337   0.070  1.00  0.00           C  
HETATM    7  C   UNL     1       3.467   1.327   0.196  1.00  0.00           C  
HETATM    8  O   UNL     1       2.636   1.211   1.076  1.00  0.00           O  
HETATM    9  O   UNL     1       3.396   2.362  -0.664  1.00  0.00           O  
HETATM   10  C   UNL     1       2.849  -1.492  -0.018  1.00  0.00           C  
HETATM   11  N   UNL     1       1.883  -0.622  -0.029  1.00  0.00           N  
HETATM   12  N   UNL     1       0.551  -1.054  -0.017  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.479  -0.128  -0.029  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.745  -0.413  -0.019  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.591   0.607  -0.033  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.023   1.827  -0.055  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.273   1.621  -0.051  1.00  0.00           S  
HETATM   18  C   UNL     1      -4.062   0.417  -0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.601  -0.868  -0.002  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.972  -1.038   0.006  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.808   0.063  -0.009  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.278   1.341  -0.033  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.910   1.523  -0.035  1.00  0.00           C  
HETATM   24 CL   UNL     1      -3.553  -2.252   0.017  1.00  0.00          Cl  
HETATM   25  H   UNL     1       6.123   1.801   0.138  1.00  0.00           H  
HETATM   26  H   UNL     1       7.923   0.144  -0.067  1.00  0.00           H  
HETATM   27  H   UNL     1       7.397  -2.251  -0.244  1.00  0.00           H  
HETATM   28  H   UNL     1       5.066  -3.018  -0.222  1.00  0.00           H  
HETATM   29  H   UNL     1       2.668   2.986  -0.542  1.00  0.00           H  
HETATM   30  H   UNL     1       2.625  -2.548   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1       0.349  -2.003  -0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.550   2.770  -0.068  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.392  -2.033   0.024  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.879  -0.075  -0.003  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.936   2.197  -0.041  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.497   2.521  -0.053  1.00  0.00           H  
CONECT    1    2    2    6   25                                       
CONECT    2    3    1    1   26                                       
CONECT    3    4    4    2   27                                       
CONECT    4    3    3    5   28                                       
CONECT    5    4   10    6    6                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   29                                                 
CONECT   10    5   11   11   30                                       
CONECT   11   12   10   10                                            
CONECT   12   13   11   31                                            
CONECT   13   17   14   14   12                                       
CONECT   14   15   13   13                                            
CONECT   15   16   16   18   14                                       
CONECT   16   17   15   15   32                                       
CONECT   17   16   13                                                 
CONECT   18   23   15   19   19                                       
CONECT   19   18   18   20   24                                       
CONECT   20   21   21   19   33                                       
CONECT   21   22   20   20   34                                       
CONECT   22   23   23   21   35                                       
CONECT   23   22   22   18   36                                       
CONECT   24   19                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   16                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
