COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.447   1.434  -0.950  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.987   1.020  -1.958  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.498   2.875  -0.623  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.166   3.763  -1.469  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.210   5.106  -1.157  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.595   5.574  -0.010  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.932   4.700   0.833  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.885   3.353   0.536  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.647   7.043   0.323  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.831   7.501   1.177  1.00  0.00           C  
HETATM   11  F   UNL     1      -2.740   8.879   1.400  1.00  0.00           F  
HETATM   12  F   UNL     1      -4.026   7.214   0.509  1.00  0.00           F  
HETATM   13  F   UNL     1      -2.809   6.827   2.404  1.00  0.00           F  
HETATM   14  N   UNL     1      -1.049   7.996  -0.615  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.387   7.786   0.415  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.807   0.579  -0.129  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.761  -0.850  -0.450  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.010  -1.520   0.062  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.855  -0.868   0.639  1.00  0.00           O  
HETATM   20  C   UNL     1       0.465  -1.482   0.212  1.00  0.00           C  
HETATM   21  C   UNL     1       1.737  -0.889  -0.398  1.00  0.00           C  
HETATM   22  C   UNL     1       2.963  -1.521   0.263  1.00  0.00           C  
HETATM   23  C   UNL     1       4.235  -0.928  -0.347  1.00  0.00           C  
HETATM   24  N   UNL     1       5.409  -1.534   0.286  1.00  0.00           N  
HETATM   25  C   UNL     1       6.647  -1.162  -0.094  1.00  0.00           C  
HETATM   26  S   UNL     1       6.834  -0.060  -1.237  1.00  0.00           S  
HETATM   27  C   UNL     1       7.854  -1.785   0.557  1.00  0.00           C  
HETATM   28  C   UNL     1       9.126  -1.192  -0.053  1.00  0.00           C  
HETATM   29  C   UNL     1      10.352  -1.824   0.609  1.00  0.00           C  
HETATM   30  C   UNL     1      11.604  -1.240   0.008  1.00  0.00           C  
HETATM   31  O   UNL     1      12.809  -1.649   0.437  1.00  0.00           O  
HETATM   32  O   UNL     1      11.525  -0.404  -0.861  1.00  0.00           O  
HETATM   33  N   UNL     1      -2.187  -2.843  -0.120  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.343  -3.517   0.478  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.002  -4.961   0.740  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.079  -5.483   0.151  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.514  -3.440  -0.468  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.765  -3.096   0.010  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.840  -3.025  -0.855  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.664  -3.300  -2.203  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.720  -3.231  -3.056  1.00  0.00           O  
HETATM   42  C   UNL     1      -5.407  -3.645  -2.680  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.334  -3.709  -1.812  1.00  0.00           C  
HETATM   44  N   UNL     1      -3.723  -5.673   1.629  1.00  0.00           N  
HETATM   45  C   UNL     1      -3.392  -7.077   1.883  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.319  -7.626   2.886  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.059  -8.063   3.686  1.00  0.00           C  
HETATM   48  H   UNL     1      -2.646   3.399  -2.365  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.726   5.794  -1.811  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.453   5.071   1.727  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.367   2.671   1.195  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.376   0.910   0.675  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.697  -0.977  -1.531  1.00  0.00           H  
HETATM   54  H   UNL     1       0.447  -1.278   1.282  1.00  0.00           H  
HETATM   55  H   UNL     1       0.452  -2.559   0.047  1.00  0.00           H  
HETATM   56  H   UNL     1       1.756  -1.093  -1.469  1.00  0.00           H  
HETATM   57  H   UNL     1       1.751   0.189  -0.234  1.00  0.00           H  
HETATM   58  H   UNL     1       2.944  -1.317   1.334  1.00  0.00           H  
HETATM   59  H   UNL     1       2.949  -2.599   0.099  1.00  0.00           H  
HETATM   60  H   UNL     1       4.253  -1.133  -1.418  1.00  0.00           H  
HETATM   61  H   UNL     1       4.248   0.149  -0.183  1.00  0.00           H  
HETATM   62  H   UNL     1       5.295  -2.202   0.980  1.00  0.00           H  
HETATM   63  H   UNL     1       7.836  -1.581   1.628  1.00  0.00           H  
HETATM   64  H   UNL     1       7.841  -2.862   0.393  1.00  0.00           H  
HETATM   65  H   UNL     1       9.145  -1.396  -1.123  1.00  0.00           H  
HETATM   66  H   UNL     1       9.140  -0.114   0.112  1.00  0.00           H  
HETATM   67  H   UNL     1      10.333  -1.620   1.679  1.00  0.00           H  
HETATM   68  H   UNL     1      10.339  -2.902   0.444  1.00  0.00           H  
HETATM   69  H   UNL     1      13.583  -1.245   0.022  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.550  -3.350  -0.648  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.602  -3.028   1.417  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.902  -2.882   1.060  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.817  -2.757  -0.481  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.848  -2.359  -3.453  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.267  -3.860  -3.729  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.355  -3.973  -2.183  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.461  -5.255   2.100  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.481  -7.645   0.957  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.370  -7.148   2.256  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.720  -8.455   4.401  1.00  0.00           H  
CONECT    1    3   16    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    8    8    4    1                                       
CONECT    4    5    5    3   48                                       
CONECT    5    6    4    4   49                                       
CONECT    6    9    7    7    5                                       
CONECT    7    6    6    8   50                                       
CONECT    8    7    3    3   51                                       
CONECT    9   14   15   10    6                                       
CONECT   10   11    9   13   12                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14   15   15    9                                            
CONECT   15   14   14    9                                            
CONECT   16    1   17   52                                            
CONECT   17   16   20   18   53                                       
CONECT   18   19   19   17   33                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   54   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   21   23   58   59                                       
CONECT   23   22   24   60   61                                       
CONECT   24   23   25   62                                            
CONECT   25   27   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   63   64                                       
CONECT   28   29   27   65   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   32   32   29   31                                       
CONECT   31   30   69                                                 
CONECT   32   30   30                                                 
CONECT   33   18   34   70                                            
CONECT   34   33   37   35   71                                       
CONECT   35   34   44   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   34   43   43   38                                       
CONECT   38   37   39   39   72                                       
CONECT   39   38   38   40   73                                       
CONECT   40   42   42   39   41                                       
CONECT   41   40   74                                                 
CONECT   42   43   40   40   75                                       
CONECT   43   37   37   42   76                                       
CONECT   44   35   45   77                                            
CONECT   45   44   46   78   79                                       
CONECT   46   47   47   47   45                                       
CONECT   47   46   46   46   80                                       
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   47                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
