COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.112   1.548  -2.465  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.640   0.780  -1.382  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.758   0.026  -0.672  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.401   0.109  -0.940  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.216  -0.825   0.328  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.548  -0.905   0.596  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.948  -1.800   1.637  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.317  -1.592   1.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.964  -1.512   0.778  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.504  -0.660  -0.215  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.172  -0.579  -0.477  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.316  -1.482   0.226  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.882  -1.325  -0.283  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.384   0.022   0.055  1.00  0.00           N  
HETATM   15  C   UNL     1       0.243   0.176   1.226  1.00  0.00           C  
HETATM   16  O   UNL     1       0.387  -0.807   1.941  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.621   1.108  -0.893  1.00  0.00           C  
HETATM   18  C   UNL     1       0.679   1.670  -1.456  1.00  0.00           C  
HETATM   19  C   UNL     1       1.668   0.546  -1.760  1.00  0.00           C  
HETATM   20  O   UNL     1       1.816  -0.284  -0.606  1.00  0.00           O  
HETATM   21  C   UNL     1       1.144  -0.293  -2.927  1.00  0.00           C  
HETATM   22  O   UNL     1       2.102  -1.299  -3.259  1.00  0.00           O  
HETATM   23  C   UNL     1       1.310   2.665  -0.488  1.00  0.00           C  
HETATM   24  C   UNL     1       0.366   3.820  -0.183  1.00  0.00           C  
HETATM   25  C   UNL     1       0.003   3.862   1.296  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.388   2.493   1.832  1.00  0.00           C  
HETATM   27  C   UNL     1       0.771   1.504   1.697  1.00  0.00           C  
HETATM   28  N   UNL     1       1.752   2.020   0.742  1.00  0.00           N  
HETATM   29  S   UNL     1       3.373   1.873   1.062  1.00  0.00           S  
HETATM   30  O   UNL     1       4.039   2.765   0.179  1.00  0.00           O  
HETATM   31  O   UNL     1       3.510   1.933   2.475  1.00  0.00           O  
HETATM   32  C   UNL     1       3.855   0.247   0.584  1.00  0.00           C  
HETATM   33  C   UNL     1       4.440   0.035  -0.650  1.00  0.00           C  
HETATM   34  C   UNL     1       4.818  -1.242  -1.027  1.00  0.00           C  
HETATM   35 CL   UNL     1       5.553  -1.508  -2.577  1.00  0.00          Cl  
HETATM   36  C   UNL     1       4.610  -2.306  -0.168  1.00  0.00           C  
HETATM   37  C   UNL     1       4.025  -2.093   1.067  1.00  0.00           C  
HETATM   38 CL   UNL     1       3.763  -3.428   2.146  1.00  0.00          Cl  
HETATM   39  C   UNL     1       3.652  -0.815   1.445  1.00  0.00           C  
HETATM   40  H   UNL     1      -6.431   2.305  -2.076  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.573   0.890  -3.148  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.929   2.034  -2.998  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.043   0.772  -1.714  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.032  -1.768   1.747  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.639  -2.814   1.382  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.478  -1.502   2.573  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.672  -2.253   1.827  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.264  -2.110   1.342  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.350  -1.258   1.292  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.651  -2.505   0.058  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.246  -2.076   0.186  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.863  -1.458  -1.365  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.223   0.718  -1.727  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.197   1.904  -0.421  1.00  0.00           H  
HETATM   55  H   UNL     1       0.456   2.197  -2.393  1.00  0.00           H  
HETATM   56  H   UNL     1       2.635   0.974  -2.026  1.00  0.00           H  
HETATM   57  H   UNL     1       1.131  -0.961  -0.518  1.00  0.00           H  
HETATM   58  H   UNL     1       0.204  -0.766  -2.641  1.00  0.00           H  
HETATM   59  H   UNL     1       0.979   0.351  -3.791  1.00  0.00           H  
HETATM   60  H   UNL     1       1.835  -1.870  -3.993  1.00  0.00           H  
HETATM   61  H   UNL     1       2.194   3.086  -0.976  1.00  0.00           H  
HETATM   62  H   UNL     1       0.853   4.757  -0.456  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.542   3.709  -0.774  1.00  0.00           H  
HETATM   64  H   UNL     1       0.859   4.234   1.862  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.833   4.550   1.436  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.644   2.593   2.893  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.263   2.123   1.305  1.00  0.00           H  
HETATM   68  H   UNL     1       1.255   1.378   2.677  1.00  0.00           H  
HETATM   69  H   UNL     1       4.602   0.866  -1.321  1.00  0.00           H  
HETATM   70  H   UNL     1       4.905  -3.303  -0.461  1.00  0.00           H  
HETATM   71  H   UNL     1       3.198  -0.648   2.411  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    5    4                                       
CONECT    4    3   10   10   43                                       
CONECT    5    6    3    3    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   44   45   46                                       
CONECT    8    5    9    9   47                                       
CONECT    9    8    8   10   48                                       
CONECT   10    4    4    9   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   49   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   15   13   17                                            
CONECT   15   27   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   53   54                                       
CONECT   18   23   17   19   55                                       
CONECT   19   18   20   21   56                                       
CONECT   20   19   57                                                 
CONECT   21   19   22   58   59                                       
CONECT   22   21   60                                                 
CONECT   23   24   28   18   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   24   64   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   26   28   15   68                                       
CONECT   28   27   29   23                                            
CONECT   29   30   30   31   31                                       
CONECT   29   28   32                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   33   33   39                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34                                                      
CONECT   36   34   34   37   70                                       
CONECT   37   39   39   36   38                                       
CONECT   38   37                                                      
CONECT   39   32   37   37   71                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   33                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
