COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.409  -0.643   0.513  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.245  -1.910   0.319  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.170  -2.332  -1.086  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.780  -2.601  -1.479  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.944  -1.334  -1.285  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.019  -0.911   0.120  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.213   0.198   0.351  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.859   0.140   0.042  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.744   1.300   0.858  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.021   2.378   1.094  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.670   2.401   0.820  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.065   1.261   0.279  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.614   1.246  -0.034  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.835   2.375   0.208  1.00  0.00           C  
HETATM   15  C   UNL     1       0.515   2.355  -0.084  1.00  0.00           C  
HETATM   16 CL   UNL     1       1.488   3.761   0.218  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -1.026   0.100  -0.567  1.00  0.00           C  
HETATM   18  C   UNL     1       0.324   0.091  -0.857  1.00  0.00           C  
HETATM   19 CL   UNL     1       1.058  -1.335  -1.521  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.094   1.217  -0.618  1.00  0.00           C  
HETATM   21  S   UNL     1       2.816   1.199  -0.990  1.00  0.00           S  
HETATM   22  O   UNL     1       3.020   0.118  -1.890  1.00  0.00           O  
HETATM   23  O   UNL     1       3.175   2.540  -1.291  1.00  0.00           O  
HETATM   24  N   UNL     1       3.615   0.802   0.405  1.00  0.00           N  
HETATM   25  C   UNL     1       3.468  -0.484   0.960  1.00  0.00           C  
HETATM   26  C   UNL     1       2.816  -0.788   2.110  1.00  0.00           C  
HETATM   27  C   UNL     1       2.120   0.188   3.024  1.00  0.00           C  
HETATM   28  N   UNL     1       2.904  -2.133   2.289  1.00  0.00           N  
HETATM   29  C   UNL     1       2.339  -2.894   3.405  1.00  0.00           C  
HETATM   30  N   UNL     1       3.632  -2.661   1.214  1.00  0.00           N  
HETATM   31  C   UNL     1       3.964  -1.678   0.418  1.00  0.00           C  
HETATM   32  C   UNL     1       4.749  -1.806  -0.862  1.00  0.00           C  
HETATM   33  C   UNL     1       6.244  -1.847  -0.542  1.00  0.00           C  
HETATM   34  C   UNL     1       7.035  -2.102  -1.827  1.00  0.00           C  
HETATM   35  C   UNL     1       6.672  -0.508   0.063  1.00  0.00           C  
HETATM   36  H   UNL     1      -7.813   0.158  -0.105  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.439  -0.344   1.561  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.857  -2.703   0.958  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.283  -1.705   0.583  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.755  -3.137  -1.254  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.375  -3.402  -0.861  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.749  -2.900  -2.527  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.906  -1.539  -1.549  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.332  -0.541  -1.924  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.430  -0.759  -0.374  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.494   3.257   1.508  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.087   3.289   1.016  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.285   3.263   0.625  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.625  -0.779  -0.753  1.00  0.00           H  
HETATM   50  H   UNL     1       4.184   1.456   0.841  1.00  0.00           H  
HETATM   51  H   UNL     1       1.105   0.362   2.665  1.00  0.00           H  
HETATM   52  H   UNL     1       2.082  -0.223   4.033  1.00  0.00           H  
HETATM   53  H   UNL     1       2.668   1.130   3.035  1.00  0.00           H  
HETATM   54  H   UNL     1       1.327  -3.210   3.154  1.00  0.00           H  
HETATM   55  H   UNL     1       2.957  -3.771   3.597  1.00  0.00           H  
HETATM   56  H   UNL     1       2.313  -2.267   4.296  1.00  0.00           H  
HETATM   57  H   UNL     1       4.462  -2.725  -1.374  1.00  0.00           H  
HETATM   58  H   UNL     1       4.538  -0.952  -1.505  1.00  0.00           H  
HETATM   59  H   UNL     1       6.441  -2.647   0.171  1.00  0.00           H  
HETATM   60  H   UNL     1       6.837  -1.302  -2.540  1.00  0.00           H  
HETATM   61  H   UNL     1       8.100  -2.131  -1.598  1.00  0.00           H  
HETATM   62  H   UNL     1       6.729  -3.056  -2.257  1.00  0.00           H  
HETATM   63  H   UNL     1       6.109  -0.326   0.979  1.00  0.00           H  
HETATM   64  H   UNL     1       7.738  -0.537   0.292  1.00  0.00           H  
HETATM   65  H   UNL     1       6.475   0.292  -0.650  1.00  0.00           H  
CONECT    1    2    6   36   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4   40                                            
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8    9    9                                       
CONECT    8    7   12   12   45                                       
CONECT    9    7    7   10                                            
CONECT   10    9   11   11   46                                       
CONECT   11   10   10   12   47                                       
CONECT   12    8    8   11   13                                       
CONECT   13   12   14   17   17                                       
CONECT   14   13   15   15   48                                       
CONECT   15   14   14   16   20                                       
CONECT   16   15                                                      
CONECT   17   13   13   18   49                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   15   18   18   21                                       
CONECT   21   20   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   50                                            
CONECT   25   24   26   26   31                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   51   52   53                                       
CONECT   28   26   29   30                                            
CONECT   29   28   54   55   56                                       
CONECT   30   28   31   31                                            
CONECT   31   25   30   30   32                                       
CONECT   32   31   33   57   58                                       
CONECT   33   32   34   35   59                                       
CONECT   34   33   60   61   62                                       
CONECT   35   33   63   64   65                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
