COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.280   0.280  -0.163  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.040   0.375   0.467  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.903  -2.670   1.566  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.126  -4.448   0.391  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.420   1.768   2.016  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.107   0.894   3.232  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.709   3.198   2.476  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.401   0.045  -0.193  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.807   0.017  -1.736  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.109   0.133  -0.567  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.425  -0.314  -1.177  1.00  0.00           C  
HETATM   12  C   UNL     1       1.369   0.025   0.589  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.032  -2.402   0.054  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.130  -3.158   0.769  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.055  -4.716  -0.576  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.631  -3.332  -1.116  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.980   0.957  -1.823  1.00  0.00           C  
HETATM   18  C   UNL     1       3.720  -0.247   0.897  1.00  0.00           C  
HETATM   19  C   UNL     1       5.016  -0.190   0.086  1.00  0.00           C  
HETATM   20  C   UNL     1       4.963  -1.230  -1.035  1.00  0.00           C  
HETATM   21  C   UNL     1       5.178   1.206  -0.520  1.00  0.00           C  
HETATM   22  C   UNL     1       7.812  -0.303   0.115  1.00  0.00           C  
HETATM   23  C   UNL     1       7.620  -0.038  -1.236  1.00  0.00           C  
HETATM   24  C   UNL     1       8.709   0.155  -2.063  1.00  0.00           C  
HETATM   25  C   UNL     1       9.991   0.086  -1.549  1.00  0.00           C  
HETATM   26  C   UNL     1      10.188  -0.177  -0.203  1.00  0.00           C  
HETATM   27  C   UNL     1       9.101  -0.372   0.630  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.218   1.771   1.068  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.559  -1.068  -0.480  1.00  0.00           C  
HETATM   30  F   UNL     1      11.441  -0.244   0.296  1.00  0.00           F  
HETATM   31  O   UNL     1       1.246  -0.214   1.773  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.947   1.601  -2.572  1.00  0.00           O  
HETATM   33  O   UNL     1       2.592   0.036   0.027  1.00  0.00           O  
HETATM   34  S   UNL     1       6.424  -0.544   1.173  1.00  0.00           S  
HETATM   35  H   UNL     1       0.369   0.397  -1.122  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.121  -0.373   1.255  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.747  -5.116   0.719  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.291   1.370   1.496  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.282   1.334   3.793  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.185  -2.239   0.720  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.213  -5.202  -0.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.427  -5.341  -1.387  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.183  -3.081  -2.022  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.556  -3.295  -1.293  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.803   0.697  -2.489  1.00  0.00           H  
HETATM   46  H   UNL     1       3.604  -1.241   1.328  1.00  0.00           H  
HETATM   47  H   UNL     1       3.757   0.494   1.695  1.00  0.00           H  
HETATM   48  H   UNL     1       4.285  -0.887  -1.816  1.00  0.00           H  
HETATM   49  H   UNL     1       5.961  -1.365  -1.453  1.00  0.00           H  
HETATM   50  H   UNL     1       4.606  -2.178  -0.634  1.00  0.00           H  
HETATM   51  H   UNL     1       5.010   1.958   0.251  1.00  0.00           H  
HETATM   52  H   UNL     1       6.186   1.314  -0.920  1.00  0.00           H  
HETATM   53  H   UNL     1       4.452   1.340  -1.322  1.00  0.00           H  
HETATM   54  H   UNL     1       6.620   0.015  -1.639  1.00  0.00           H  
HETATM   55  H   UNL     1       8.559   0.361  -3.112  1.00  0.00           H  
HETATM   56  H   UNL     1      10.841   0.238  -2.198  1.00  0.00           H  
HETATM   57  H   UNL     1       9.253  -0.577   1.679  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.320   2.046   1.620  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.388   2.492   0.268  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.938  -0.470   0.349  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.364  -1.254  -1.191  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.181   1.861  -2.042  1.00  0.00           H  
HETATM   63  S   UNL     1      -5.580   2.080  -0.531  1.00  0.00           S  
HETATM   64  O   UNL     1      -6.733   1.542   0.101  1.00  0.00           O  
HETATM   65  O   UNL     1      -4.494   2.586   0.234  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.100   3.291  -1.292  1.00  0.00           O  
HETATM   67  H   UNL     1      -2.988   0.832   3.870  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.828  -0.106   2.899  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.838   3.596   2.995  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.932   3.821   1.609  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.565   3.196   3.151  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.652   0.220   0.727  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.985  -0.949  -1.945  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.458   3.988  -0.725  1.00  0.00           H  
CONECT    1    2   12   35                                            
CONECT    2   28    1   10   36                                       
CONECT    3   14   14                                                 
CONECT    4   15   14   37                                            
CONECT    5    7    6   28   38                                       
CONECT    6    5   39   67   68                                       
CONECT    7    5   69   70   71                                       
CONECT    8   10   11   72                                            
CONECT    9   10   10                                                 
CONECT   10    2    9    9    8                                       
CONECT   11    8   17   29   73                                       
CONECT   12    1   33   31   31                                       
CONECT   13   29   16   14   40                                       
CONECT   14   13    3    3    4                                       
CONECT   15   16    4   41   42                                       
CONECT   16   13   15   43   44                                       
CONECT   17   32   11   45   63                                       
CONECT   18   19   33   46   47                                       
CONECT   19   34   21   18   20                                       
CONECT   20   19   48   49   50                                       
CONECT   21   19   51   52   53                                       
CONECT   22   23   34   27   27                                       
CONECT   23   24   24   22   54                                       
CONECT   24   23   23   25   55                                       
CONECT   25   24   26   26   56                                       
CONECT   26   25   25   27   30                                       
CONECT   27   22   22   26   57                                       
CONECT   28    5    2   58   59                                       
CONECT   29   11   13   60   61                                       
CONECT   30   26                                                      
CONECT   31   12   12                                                 
CONECT   32   17   62                                                 
CONECT   33   18   12                                                 
CONECT   34   22   19                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   17   64   64   65                                       
CONECT   63   65   66                                                 
CONECT   64   63   63                                                 
CONECT   65   63   63                                                 
CONECT   66   63   74                                                 
CONECT   67    6                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73   11                                                      
CONECT   74   66                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
