COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.960  -2.296  -1.879  1.00  0.00           C  
HETATM    2  C   UNL     1       5.249  -3.428  -1.022  1.00  0.00           C  
HETATM    3  C   UNL     1       3.996  -2.625  -2.767  1.00  0.00           C  
HETATM    4  C   UNL     1       5.532  -3.936   1.696  1.00  0.00           C  
HETATM    5  C   UNL     1       6.921  -4.793   3.424  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.899   0.375  -1.582  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.621   1.721  -1.674  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.150  -0.054  -1.968  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.577  -1.474  -2.057  1.00  0.00           C  
HETATM   10  C   UNL     1       0.809  -1.412  -1.397  1.00  0.00           C  
HETATM   11  C   UNL     1       0.982   0.030  -0.900  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.559  -0.097  -1.439  1.00  0.00           C  
HETATM   13  C   UNL     1       4.207  -3.093  -0.122  1.00  0.00           C  
HETATM   14  C   UNL     1       4.367  -3.357   1.247  1.00  0.00           C  
HETATM   15  C   UNL     1       6.557  -4.263   0.802  1.00  0.00           C  
HETATM   16  C   UNL     1       6.426  -4.018  -0.529  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.012  -0.401  -0.301  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.666  -2.706   1.252  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.233  -3.489   2.438  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.339  -1.963   2.408  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.424  -2.785  -0.075  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.387   2.178  -0.460  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.145   0.516  -2.455  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.869   3.097   0.320  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.674   1.844  -0.416  1.00  0.00           C  
HETATM   26  C   UNL     1       0.263   2.524   0.547  1.00  0.00           C  
HETATM   27  C   UNL     1       2.684   2.769   0.659  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.314   3.884   0.946  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.767   3.715   1.394  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.077   4.627   1.106  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.519   3.680  -0.011  1.00  0.00           C  
HETATM   32  C   UNL     1       5.046   2.984   0.931  1.00  0.00           C  
HETATM   33  C   UNL     1       5.618   1.566   0.882  1.00  0.00           C  
HETATM   34  C   UNL     1       6.097   3.976   0.430  1.00  0.00           C  
HETATM   35  C   UNL     1       3.836  -2.342  -4.238  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.584   4.931   0.953  1.00  0.00           C  
HETATM   37  F   UNL     1       5.574   5.273   0.474  1.00  0.00           F  
HETATM   38  F   UNL     1       7.232   3.903   1.244  1.00  0.00           F  
HETATM   39  F   UNL     1       6.447   3.659  -0.887  1.00  0.00           F  
HETATM   40  N   UNL     1      -0.309   0.709  -1.039  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.586   0.288  -2.262  1.00  0.00           N  
HETATM   42  N   UNL     1       3.084  -2.532  -0.588  1.00  0.00           N  
HETATM   43  N   UNL     1       5.103  -3.175  -2.328  1.00  0.00           N  
HETATM   44  N   UNL     1      -4.610  -1.687  -0.254  1.00  0.00           N  
HETATM   45  N   UNL     1       1.567   2.714  -0.092  1.00  0.00           N  
HETATM   46  O   UNL     1      -2.781  -0.466  -0.306  1.00  0.00           O  
HETATM   47  O   UNL     1       1.824  -1.727  -2.352  1.00  0.00           O  
HETATM   48  O   UNL     1       5.689  -4.191   3.021  1.00  0.00           O  
HETATM   49  O   UNL     1      -5.465   0.129   0.692  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.335  -1.780   2.162  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.297  -3.852   0.811  1.00  0.00           O  
HETATM   52  O   UNL     1      -1.767   2.324  -0.632  1.00  0.00           O  
HETATM   53  O   UNL     1       3.867   3.060   0.086  1.00  0.00           O  
HETATM   54  O   UNL     1       2.624   2.555   1.854  1.00  0.00           O  
HETATM   55  S   UNL     1      -4.861  -2.584   1.115  1.00  0.00           S  
HETATM   56  H   UNL     1       6.916  -4.942   4.504  1.00  0.00           H  
HETATM   57  H   UNL     1       7.036  -5.755   2.925  1.00  0.00           H  
HETATM   58  H   UNL     1       7.751  -4.140   3.152  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.130   2.513  -2.242  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.130   0.414  -2.951  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.218  -2.173  -1.519  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.483  -1.777  -3.100  1.00  0.00           H  
HETATM   63  H   UNL     1       0.857  -2.105  -0.558  1.00  0.00           H  
HETATM   64  H   UNL     1       1.287   0.026   0.146  1.00  0.00           H  
HETATM   65  H   UNL     1       1.734   0.540  -1.502  1.00  0.00           H  
HETATM   66  H   UNL     1       3.581  -3.108   1.944  1.00  0.00           H  
HETATM   67  H   UNL     1       7.464  -4.716   1.174  1.00  0.00           H  
HETATM   68  H   UNL     1       7.226  -4.277  -1.207  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.146  -4.060   2.273  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.522  -3.931   3.135  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.697  -1.401   3.086  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.322  -1.530   2.223  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.437  -2.406   0.063  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.910  -2.183  -0.824  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.467  -3.822  -0.408  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.352   1.751  -0.234  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.004   0.517  -3.536  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.063   0.047  -2.101  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.406   3.433   1.193  1.00  0.00           H  
HETATM   80  H   UNL     1       0.381   1.905   1.437  1.00  0.00           H  
HETATM   81  H   UNL     1       0.272   4.301   1.764  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.274   4.560   0.091  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.183   2.815   0.942  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.804   3.627   2.480  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.645   5.555   1.043  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.255   4.156   2.073  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.792   2.875  -0.113  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.583   4.232  -0.949  1.00  0.00           H  
HETATM   89  H   UNL     1       4.773   3.231   1.957  1.00  0.00           H  
HETATM   90  H   UNL     1       5.966   1.349  -0.128  1.00  0.00           H  
HETATM   91  H   UNL     1       6.452   1.487   1.579  1.00  0.00           H  
HETATM   92  H   UNL     1       4.843   0.852   1.161  1.00  0.00           H  
HETATM   93  H   UNL     1       4.207  -1.342  -4.459  1.00  0.00           H  
HETATM   94  H   UNL     1       4.402  -3.075  -4.813  1.00  0.00           H  
HETATM   95  H   UNL     1       2.781  -2.405  -4.508  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.323   5.788   1.574  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.365   5.158  -0.090  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.464   0.485  -3.204  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.174  -2.087  -1.023  1.00  0.00           H  
HETATM  100  H   UNL     1       1.626   2.801  -1.057  1.00  0.00           H  
CONECT    1    3   47   42   42                                       
CONECT    2   43   16   16   13                                       
CONECT    3   35   43   43    1                                       
CONECT    4   15   15   14   48                                       
CONECT    5   48   56   57   58                                       
CONECT    6   23    7   41   17                                       
CONECT    7   23    6   22   59                                       
CONECT    8   12   40    9   60                                       
CONECT    9    8   10   61   62                                       
CONECT   10   47    9   11   63                                       
CONECT   11   40   10   64   65                                       
CONECT   12   41    8   46   46                                       
CONECT   13    2   42   14   14                                       
CONECT   14   13   13    4   66                                       
CONECT   15   16    4    4   67                                       
CONECT   16    2    2   15   68                                       
CONECT   17    6   49   49   44                                       
CONECT   18   55   20   19   21                                       
CONECT   19   20   18   69   70                                       
CONECT   20   18   19   71   72                                       
CONECT   21   18   73   74   75                                       
CONECT   22    7   24   24   76                                       
CONECT   23    7    6   77   78                                       
CONECT   24   22   22   31   79                                       
CONECT   25   52   52   26   40                                       
CONECT   26   45   25   28   80                                       
CONECT   27   53   45   54   54                                       
CONECT   28   26   29   81   82                                       
CONECT   29   28   36   83   84                                       
CONECT   30   31   36   85   86                                       
CONECT   31   24   30   87   88                                       
CONECT   32   33   34   53   89                                       
CONECT   33   32   90   91   92                                       
CONECT   34   38   39   32   37                                       
CONECT   35    3   93   94   95                                       
CONECT   36   30   29   96   97                                       
CONECT   37   34                                                      
CONECT   38   34                                                      
CONECT   39   34                                                      
CONECT   40   25    8   11                                            
CONECT   41    6   12   98                                            
CONECT   42    1    1   13                                            
CONECT   43    3    3    2                                            
CONECT   44   17   55   99                                            
CONECT   45   27   26  100                                            
CONECT   46   12   12                                                 
CONECT   47    1   10                                                 
CONECT   48    4    5                                                 
CONECT   49   17   17                                                 
CONECT   50   55   55                                                 
CONECT   51   55   55                                                 
CONECT   52   25   25                                                 
CONECT   53   32   27                                                 
CONECT   54   27   27                                                 
CONECT   55   51   51   44   50                                       
CONECT   55   50   18                                                 
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   41                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
