COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.149  -1.065  -1.855  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.268   0.988  -1.956  1.00  0.00           N  
HETATM    3  S   UNL     1       0.468   2.431  -1.610  1.00  0.00           S  
HETATM    4  C   UNL     1      -0.653   3.363  -0.621  1.00  0.00           C  
HETATM    5  O   UNL     1       1.579   2.126  -0.779  1.00  0.00           O  
HETATM    6  O   UNL     1       0.588   3.125  -2.844  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.618   3.251   0.756  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.498   3.983   1.532  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.412   4.827   0.931  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.447   4.940  -0.447  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.564   4.212  -1.222  1.00  0.00           C  
HETATM   12  C   UNL     1       0.052  -0.226  -1.188  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.259  -0.857  -0.706  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.518   0.211  -2.483  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.259   0.885  -3.038  1.00  0.00           C  
HETATM   16  C   UNL     1       0.906   0.137  -0.001  1.00  0.00           C  
HETATM   17  O   UNL     1       0.447   0.819   0.891  1.00  0.00           O  
HETATM   18  N   UNL     1       2.180  -0.296   0.070  1.00  0.00           N  
HETATM   19  C   UNL     1       3.011   0.056   1.225  1.00  0.00           C  
HETATM   20  C   UNL     1       4.381  -0.548   1.061  1.00  0.00           C  
HETATM   21  C   UNL     1       5.377   0.165   0.419  1.00  0.00           C  
HETATM   22  C   UNL     1       6.635  -0.385   0.266  1.00  0.00           C  
HETATM   23  C   UNL     1       6.900  -1.654   0.759  1.00  0.00           C  
HETATM   24  C   UNL     1       5.899  -2.369   1.404  1.00  0.00           C  
HETATM   25  C   UNL     1       4.643  -1.811   1.558  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.270  -1.776  -1.488  1.00  0.00           C  
HETATM   27  S   UNL     1      -4.575  -2.229  -2.577  1.00  0.00           S  
HETATM   28  N   UNL     1      -3.511  -2.211  -0.294  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.643  -2.887  -0.090  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.417  -3.023  -1.252  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.624  -3.707  -1.188  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.015  -4.211  -0.028  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.272  -4.068   1.054  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.122  -3.438   1.044  1.00  0.00           N  
HETATM   35  O   UNL     1       8.137  -2.198   0.609  1.00  0.00           O  
HETATM   36  C   UNL     1       9.117  -1.406  -0.064  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.371   5.625   1.776  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.762  -4.659   2.351  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.187  -5.216   2.380  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.991  -6.171   2.396  1.00  0.00           C  
HETATM   41  F   UNL     1       8.674  -1.119  -1.360  1.00  0.00           F  
HETATM   42  F   UNL     1       9.314  -0.211   0.636  1.00  0.00           F  
HETATM   43  F   UNL     1      10.323  -2.112  -0.130  1.00  0.00           F  
HETATM   44  F   UNL     1      -2.795   6.859   2.097  1.00  0.00           F  
HETATM   45  F   UNL     1      -4.557   5.835   1.065  1.00  0.00           F  
HETATM   46  F   UNL     1      -3.651   4.921   2.953  1.00  0.00           F  
HETATM   47  F   UNL     1       6.153  -3.606   1.885  1.00  0.00           F  
HETATM   48  H   UNL     1       0.096   2.591   1.226  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.470   3.894   2.608  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.161   5.600  -0.917  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.588   4.304  -2.298  1.00  0.00           H  
HETATM   52  H   UNL     1       0.586  -0.932  -1.825  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.740  -0.192   0.011  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.048  -1.814  -0.230  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.220   0.027  -3.296  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.982   0.860  -1.741  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.508   1.882  -3.402  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.851   0.286  -3.852  1.00  0.00           H  
HETATM   59  H   UNL     1       2.548  -0.841  -0.643  1.00  0.00           H  
HETATM   60  H   UNL     1       3.097   1.141   1.292  1.00  0.00           H  
HETATM   61  H   UNL     1       2.550  -0.329   2.135  1.00  0.00           H  
HETATM   62  H   UNL     1       5.171   1.154   0.035  1.00  0.00           H  
HETATM   63  H   UNL     1       7.412   0.172  -0.236  1.00  0.00           H  
HETATM   64  H   UNL     1       3.863  -2.365   2.059  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.234  -3.826  -2.071  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.391  -4.179   3.257  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.753  -5.103   3.305  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.770  -5.155   1.461  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.788  -6.738   1.488  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.771  -6.686   3.331  1.00  0.00           H  
CONECT    1   13   14   26                                            
CONECT    2    3   12   15                                            
CONECT    3    5    5    6    6                                       
CONECT    3    2    4                                                 
CONECT    4    3   11   11    7                                       
CONECT    5    3    3                                                 
CONECT    6    3    3                                                 
CONECT    7    4    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9   10   10    8   37                                       
CONECT   10   11    9    9   50                                       
CONECT   11    4    4   10   51                                       
CONECT   12   16    2   13   52                                       
CONECT   13   12    1   53   54                                       
CONECT   14   15    1   55   56                                       
CONECT   15    2   14   57   58                                       
CONECT   16   18   17   17   12                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   59                                            
CONECT   19   20   18   60   61                                       
CONECT   20   25   25   21   19                                       
CONECT   21   22   22   20   62                                       
CONECT   22   23   21   21   63                                       
CONECT   23   35   24   24   22                                       
CONECT   24   47   23   23   25                                       
CONECT   25   24   20   20   64                                       
CONECT   26    1   27   28   28                                       
CONECT   27   26   30                                                 
CONECT   28   26   26   29                                            
CONECT   29   28   30   30   34                                       
CONECT   30   27   29   29   31                                       
CONECT   31   30   32   32   65                                       
CONECT   32   31   31   33                                            
CONECT   33   34   34   32   38                                       
CONECT   34   29   33   33                                            
CONECT   35   36   23                                                 
CONECT   36   41   35   42   43                                       
CONECT   37    9   45   44   46                                       
CONECT   38   33   40   39   66                                       
CONECT   39   38   40   67   68                                       
CONECT   40   38   39   69   70                                       
CONECT   41   36                                                      
CONECT   42   36                                                      
CONECT   43   36                                                      
CONECT   44   37                                                      
CONECT   45   37                                                      
CONECT   46   37                                                      
CONECT   47   24                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   31                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
