COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.290   1.350  -0.906  1.00  0.00           C  
HETATM    2  C   UNL     1       3.414  -3.651   1.178  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.143   0.879   0.582  1.00  0.00           N  
HETATM    4  C   UNL     1       4.003  -0.635   1.192  1.00  0.00           C  
HETATM    5  C   UNL     1       4.937  -3.856  -0.684  1.00  0.00           C  
HETATM    6  C   UNL     1       3.467  -5.092   0.622  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.183   1.417  -0.140  1.00  0.00           N  
HETATM    8  N   UNL     1       4.585  -5.104  -0.329  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.418  -1.313  -1.517  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.644   1.529  -1.257  1.00  0.00           C  
HETATM   11  C   UNL     1       3.755   2.991  -2.679  1.00  0.00           C  
HETATM   12  C   UNL     1       2.998   1.770  -2.154  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.916   1.869  -0.478  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.279  -1.135  -0.154  1.00  0.00           C  
HETATM   15  C   UNL     1       1.998   0.513   0.418  1.00  0.00           C  
HETATM   16  C   UNL     1       1.115   1.022  -0.692  1.00  0.00           C  
HETATM   17  C   UNL     1       1.776   2.231  -1.357  1.00  0.00           C  
HETATM   18  N   UNL     1       3.201  -0.024   0.130  1.00  0.00           N  
HETATM   19  O   UNL     1       4.002   1.376   2.532  1.00  0.00           O  
HETATM   20  C   UNL     1       2.542   0.907  -3.332  1.00  0.00           C  
HETATM   21  C   UNL     1       4.065  -2.846   0.029  1.00  0.00           C  
HETATM   22  C   UNL     1       4.917  -1.704   0.590  1.00  0.00           C  
HETATM   23  C   UNL     1       4.855   0.440   1.870  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.000  -0.568   0.406  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.594  -1.828  -2.032  1.00  0.00           C  
HETATM   26  O   UNL     1       5.826  -3.580  -1.462  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.631  -2.164  -1.184  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.493  -1.986   0.183  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.314  -1.476   0.697  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.493   1.472   1.737  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.534   2.974   1.559  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.752   3.222   0.250  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.496   1.621  -0.373  1.00  0.00           O  
HETATM   34  F   UNL     1      -9.507  -2.315   1.013  1.00  0.00           F  
HETATM   35  O   UNL     1      -5.744   0.887   2.769  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.199   1.050  -2.080  1.00  0.00           O  
HETATM   37  O   UNL     1       1.628   0.587   1.571  1.00  0.00           O  
HETATM   38  H   UNL     1       2.385  -3.334   1.341  1.00  0.00           H  
HETATM   39  H   UNL     1       3.998  -3.565   2.094  1.00  0.00           H  
HETATM   40  H   UNL     1       3.343  -1.094   1.928  1.00  0.00           H  
HETATM   41  H   UNL     1       3.652  -5.800   1.430  1.00  0.00           H  
HETATM   42  H   UNL     1       2.534  -5.334   0.114  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.246   1.728   0.777  1.00  0.00           H  
HETATM   44  H   UNL     1       5.013  -5.909  -0.660  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.609  -1.046  -2.181  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.719   0.515  -1.650  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.524   2.231  -2.082  1.00  0.00           H  
HETATM   48  H   UNL     1       4.080   3.606  -1.839  1.00  0.00           H  
HETATM   49  H   UNL     1       4.626   2.663  -3.247  1.00  0.00           H  
HETATM   50  H   UNL     1       3.099   3.575  -3.324  1.00  0.00           H  
HETATM   51  H   UNL     1       3.654   1.186  -1.508  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.772   1.903  -1.151  1.00  0.00           H  
HETATM   53  H   UNL     1       0.971   0.234  -1.431  1.00  0.00           H  
HETATM   54  H   UNL     1       2.089   2.941  -0.591  1.00  0.00           H  
HETATM   55  H   UNL     1       1.064   2.711  -2.028  1.00  0.00           H  
HETATM   56  H   UNL     1       3.534  -0.005  -0.781  1.00  0.00           H  
HETATM   57  H   UNL     1       3.385   1.831   1.943  1.00  0.00           H  
HETATM   58  H   UNL     1       1.946   1.512  -4.016  1.00  0.00           H  
HETATM   59  H   UNL     1       3.415   0.519  -3.858  1.00  0.00           H  
HETATM   60  H   UNL     1       1.941   0.076  -2.963  1.00  0.00           H  
HETATM   61  H   UNL     1       3.303  -2.456  -0.645  1.00  0.00           H  
HETATM   62  H   UNL     1       5.510  -1.266  -0.213  1.00  0.00           H  
HETATM   63  H   UNL     1       5.581  -2.092   1.362  1.00  0.00           H  
HETATM   64  S   UNL     1       5.846   1.304   0.621  1.00  0.00           S  
HETATM   65  H   UNL     1       5.517  -0.027   2.599  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.181  -0.771  -0.284  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.787  -1.032   1.369  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.701  -1.966  -3.098  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.550  -2.565  -1.586  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.205  -1.337   1.763  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.563   3.319   1.463  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.041   3.470   2.395  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.702   3.428   0.456  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.202   4.031  -0.326  1.00  0.00           H  
HETATM   75  O   UNL     1       5.012   2.079  -0.229  1.00  0.00           O  
HETATM   76  O   UNL     1       6.639   2.335   1.411  1.00  0.00           O  
HETATM   77  O   UNL     1       6.836   0.437   0.083  1.00  0.00           O  
HETATM   78  H   UNL     1       7.224   2.881   0.869  1.00  0.00           H  
CONECT    1   36   36   33    7                                       
CONECT    2   21    6   38   39                                       
CONECT    3   30   24   13                                            
CONECT    4   22   18   23   40                                       
CONECT    5   26   26    8   21                                       
CONECT    6    8    2   41   42                                       
CONECT    7    1   16   43                                            
CONECT    8    5    6   44                                            
CONECT    9   25   14   14   45                                       
CONECT   10   13   33   46   47                                       
CONECT   11   12   48   49   50                                       
CONECT   12   11   17   20   51                                       
CONECT   13    3   32   10   52                                       
CONECT   14    9    9   29   24                                       
CONECT   15   18   16   37   37                                       
CONECT   16    7   15   17   53                                       
CONECT   17   16   12   54   55                                       
CONECT   18    4   15   56                                            
CONECT   19   23   57                                                 
CONECT   20   12   58   59   60                                       
CONECT   21    5   22    2   61                                       
CONECT   22   21    4   62   63                                       
CONECT   23    4   19   64   65                                       
CONECT   24    3   14   66   67                                       
CONECT   25   27   27    9   68                                       
CONECT   26    5    5                                                 
CONECT   27   25   25   28   69                                       
CONECT   28   27   34   29   29                                       
CONECT   29   28   28   14   70                                       
CONECT   30   35   35   31    3                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   13   73   74                                       
CONECT   33   10    1                                                 
CONECT   34   28                                                      
CONECT   35   30   30                                                 
CONECT   36    1    1                                                 
CONECT   37   15   15                                                 
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23   75   75   76                                       
CONECT   64   77   77                                                 
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   64   64                                                 
CONECT   76   64   78                                                 
CONECT   77   64   64                                                 
CONECT   78   76                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
