COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.580  -1.633   1.033  1.00  0.00           N  
HETATM    2  C   UNL     1       3.263  -1.121   1.488  1.00  0.00           C  
HETATM    3  C   UNL     1       3.284   0.384   1.399  1.00  0.00           C  
HETATM    4  O   UNL     1       3.033   1.067   2.370  1.00  0.00           O  
HETATM    5  C   UNL     1       3.016  -1.548   2.937  1.00  0.00           C  
HETATM    6  C   UNL     1       1.617  -1.162   3.343  1.00  0.00           C  
HETATM    7  O   UNL     1       0.853  -0.699   2.523  1.00  0.00           O  
HETATM    8  N   UNL     1       1.215  -1.330   4.618  1.00  0.00           N  
HETATM    9  C   UNL     1       2.263   2.971  -0.302  1.00  0.00           C  
HETATM   10  N   UNL     1       3.592   0.961   0.202  1.00  0.00           N  
HETATM   11  O   UNL     1       2.000   2.482  -1.618  1.00  0.00           O  
HETATM   12  C   UNL     1       7.520  -2.816  -1.538  1.00  0.00           C  
HETATM   13  O   UNL     1       3.559  -3.611   0.710  1.00  0.00           O  
HETATM   14  C   UNL     1       4.576  -2.953   0.660  1.00  0.00           C  
HETATM   15  C   UNL     1       5.871  -3.563   0.187  1.00  0.00           C  
HETATM   16  C   UNL     1       6.071  -3.246  -1.297  1.00  0.00           C  
HETATM   17  C   UNL     1       1.161   2.496   0.648  1.00  0.00           C  
HETATM   18  C   UNL     1       3.615   2.441   0.179  1.00  0.00           C  
HETATM   19  C   UNL     1       4.719   2.884  -0.788  1.00  0.00           C  
HETATM   20  C   UNL     1       5.482   1.663  -1.239  1.00  0.00           C  
HETATM   21  O   UNL     1       7.543  -1.698  -2.428  1.00  0.00           O  
HETATM   22  C   UNL     1       6.864  -0.593  -2.044  1.00  0.00           C  
HETATM   23  C   UNL     1       4.946   0.835  -2.208  1.00  0.00           C  
HETATM   24  C   UNL     1       6.712   1.372  -0.680  1.00  0.00           C  
HETATM   25  C   UNL     1       5.635  -0.292  -2.613  1.00  0.00           C  
HETATM   26  C   UNL     1       7.405   0.246  -1.081  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.137   3.006   0.186  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.245   2.380   0.930  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.115   1.590  -0.013  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.845   1.547  -1.195  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.066   3.519   1.572  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.711   4.745   0.690  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.223   4.472   0.359  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.193   0.931   0.456  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.965   0.061  -0.435  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.380  -0.047   0.070  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.635   0.229   1.224  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.327  -1.329  -0.469  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.072  -2.207  -1.477  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.413  -1.963   0.921  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.874  -1.646  -2.886  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.363  -0.451  -0.758  1.00  0.00           N  
HETATM   43  C   UNL     1      -7.758  -0.416  -0.313  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.076  -1.679   0.445  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.401  -2.673   0.278  1.00  0.00           O  
HETATM   46  C   UNL     1      -8.680  -0.306  -1.529  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.414   1.016  -2.253  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.408  -1.472  -2.482  1.00  0.00           C  
HETATM   49  N   UNL     1      -9.110  -1.704   1.310  1.00  0.00           N  
HETATM   50  H   UNL     1       5.376  -1.079   0.998  1.00  0.00           H  
HETATM   51  H   UNL     1       2.474  -1.516   0.849  1.00  0.00           H  
HETATM   52  H   UNL     1       3.133  -2.629   3.022  1.00  0.00           H  
HETATM   53  H   UNL     1       3.734  -1.052   3.589  1.00  0.00           H  
HETATM   54  H   UNL     1       1.826  -1.701   5.275  1.00  0.00           H  
HETATM   55  H   UNL     1       0.315  -1.082   4.880  1.00  0.00           H  
HETATM   56  H   UNL     1       2.284   4.061  -0.317  1.00  0.00           H  
HETATM   57  H   UNL     1       3.785   0.433  -0.588  1.00  0.00           H  
HETATM   58  H   UNL     1       1.966   1.518  -1.680  1.00  0.00           H  
HETATM   59  H   UNL     1       7.978  -2.534  -0.589  1.00  0.00           H  
HETATM   60  H   UNL     1       8.076  -3.643  -1.978  1.00  0.00           H  
HETATM   61  H   UNL     1       6.700  -3.149   0.762  1.00  0.00           H  
HETATM   62  H   UNL     1       5.837  -4.643   0.326  1.00  0.00           H  
HETATM   63  H   UNL     1       5.399  -2.439  -1.589  1.00  0.00           H  
HETATM   64  H   UNL     1       5.852  -4.134  -1.890  1.00  0.00           H  
HETATM   65  H   UNL     1       1.139   1.407   0.663  1.00  0.00           H  
HETATM   66  H   UNL     1       1.361   2.870   1.653  1.00  0.00           H  
HETATM   67  H   UNL     1       3.825   2.822   1.179  1.00  0.00           H  
HETATM   68  H   UNL     1       4.273   3.376  -1.652  1.00  0.00           H  
HETATM   69  H   UNL     1       5.394   3.574  -0.282  1.00  0.00           H  
HETATM   70  H   UNL     1       3.989   1.070  -2.649  1.00  0.00           H  
HETATM   71  H   UNL     1       7.133   2.025   0.070  1.00  0.00           H  
HETATM   72  H   UNL     1       5.217  -0.938  -3.371  1.00  0.00           H  
HETATM   73  H   UNL     1       8.366   0.019  -0.645  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.848   1.724   1.705  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.133   3.302   1.519  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.756   3.683   2.604  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.316   4.761  -0.217  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.823   5.673   1.249  1.00  0.00           H  
HETATM   79  H   UNL     1       0.414   4.795   1.182  1.00  0.00           H  
HETATM   80  H   UNL     1       0.060   4.979  -0.563  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.458   1.033   1.383  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.970   0.483  -1.441  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.282  -1.242  -0.765  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.680  -3.224  -1.432  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.135  -2.217  -1.235  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.456  -2.156   1.169  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.858  -2.902   0.927  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.984  -1.283   1.657  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.439  -2.247  -3.599  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.227  -0.615  -2.920  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.816  -1.676  -3.144  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.147  -0.766  -1.650  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.910   0.446   0.337  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.719  -0.339  -1.202  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.070   1.094  -3.119  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.608   1.847  -1.574  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.375   1.048  -2.580  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.484  -2.412  -1.936  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.140  -1.460  -3.289  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.406  -1.374  -2.899  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.690  -0.931   1.394  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.273  -2.495   1.847  1.00  0.00           H  
CONECT    1    2   50   14                                            
CONECT    2    1    3    5   51                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   52   53                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   54   55                                            
CONECT    9   11   56   17   18                                       
CONECT   10   18   57    3                                            
CONECT   11    9   58                                                 
CONECT   12   59   60   16   21                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   15    1                                       
CONECT   15   14   61   62   16                                       
CONECT   16   12   15   63   64                                       
CONECT   17    9   65   66   27                                       
CONECT   18   10    9   19   67                                       
CONECT   19   18   68   69   20                                       
CONECT   20   19   24   23   23                                       
CONECT   21   12   22                                                 
CONECT   22   21   26   25   25                                       
CONECT   23   20   20   70   25                                       
CONECT   24   20   71   26   26                                       
CONECT   25   22   22   23   72                                       
CONECT   26   22   24   24   73                                       
CONECT   27   28   33   17                                            
CONECT   28   27   29   31   74                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   75   76                                       
CONECT   32   31   33   77   78                                       
CONECT   33   27   32   79   80                                       
CONECT   34   35   81   29                                            
CONECT   35   34   36   38   82                                       
CONECT   36   35   37   37   42                                       
CONECT   37   36   36                                                 
CONECT   38   35   39   40   83                                       
CONECT   39   38   41   84   85                                       
CONECT   40   38   86   87   88                                       
CONECT   41   39   89   90   91                                       
CONECT   42   43   92   36                                            
CONECT   43   42   44   46   93                                       
CONECT   44   43   45   45   49                                       
CONECT   45   44   44                                                 
CONECT   46   43   47   48   94                                       
CONECT   47   46   95   96   97                                       
CONECT   48   46   98   99  100                                       
CONECT   49  101  102   44                                            
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
