COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.161  -0.117  -0.078  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.573  -1.028  -0.283  1.00  0.00           C  
HETATM    3  C   UNL     1       8.563  -1.135  -0.797  1.00  0.00           C  
HETATM    4  C   UNL     1       3.735  -0.226   1.176  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.006  -1.147   0.874  1.00  0.00           C  
HETATM    6  C   UNL     1       3.984  -1.562   1.449  1.00  0.00           C  
HETATM    7  C   UNL     1       2.940  -2.467   1.320  1.00  0.00           C  
HETATM    8  C   UNL     1       1.691  -2.007   0.925  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.648  -2.444   0.524  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.277  -0.685   0.614  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.211  -1.521  -0.004  1.00  0.00           C  
HETATM   12  N   UNL     1       4.756   0.730   1.297  1.00  0.00           N  
HETATM   13  N   UNL     1       0.637  -2.908   0.794  1.00  0.00           N  
HETATM   14  C   UNL     1       6.714   0.300  -0.105  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.918   0.230   0.059  1.00  0.00           N  
HETATM   16  C   UNL     1       4.409   2.034   1.388  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.270   0.720  -0.218  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.247   2.246  -0.336  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.672   2.757  -0.565  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.867   2.936   0.441  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.601   0.884   0.661  1.00  0.00           C  
HETATM   22  C   UNL     1       6.163   0.325   1.323  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.204   0.318   0.927  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.853  -2.826  -0.357  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.576  -3.282  -0.099  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.223  -5.351  -1.076  1.00  0.00           C  
HETATM   27  C   UNL     1       2.456   0.173   0.784  1.00  0.00           C  
HETATM   28  C   UNL     1       2.476   1.807  -0.915  1.00  0.00           C  
HETATM   29  C   UNL     1       3.899   1.363  -1.266  1.00  0.00           C  
HETATM   30  C   UNL     1       4.147   1.604  -2.757  1.00  0.00           C  
HETATM   31  C   UNL     1       1.823   1.302  -3.270  1.00  0.00           C  
HETATM   32  C   UNL     1       1.482   1.049  -1.799  1.00  0.00           C  
HETATM   33  C   UNL     1       2.950   2.411   1.377  1.00  0.00           C  
HETATM   34  C   UNL     1       2.801   3.849   0.876  1.00  0.00           C  
HETATM   35  N   UNL     1      -8.526   2.347   0.558  1.00  0.00           N  
HETATM   36  N   UNL     1       1.485  -0.723   0.671  1.00  0.00           N  
HETATM   37  N   UNL     1       2.203   1.510   0.498  1.00  0.00           N  
HETATM   38  O   UNL     1       5.264   2.890   1.480  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.385  -1.755  -0.821  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.224  -4.550  -0.442  1.00  0.00           O  
HETATM   41  O   UNL     1       3.171   0.894  -3.522  1.00  0.00           O  
HETATM   42  H   UNL     1       8.867   0.421   0.538  1.00  0.00           H  
HETATM   43  H   UNL     1       7.858  -1.673  -1.413  1.00  0.00           H  
HETATM   44  H   UNL     1       9.600  -1.437  -0.775  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.286  -0.501   1.356  1.00  0.00           H  
HETATM   46  H   UNL     1       4.966  -1.891   1.755  1.00  0.00           H  
HETATM   47  H   UNL     1       3.097  -3.516   1.523  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.552   0.322   0.888  1.00  0.00           H  
HETATM   49  H   UNL     1       0.799  -3.860   0.891  1.00  0.00           H  
HETATM   50  H   UNL     1       6.630   1.295  -0.544  1.00  0.00           H  
HETATM   51  H   UNL     1       6.142  -0.410  -0.702  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.270   0.811   0.488  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.630   0.288  -1.152  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.850   2.676   0.583  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.617   2.537  -1.176  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.661   3.844  -0.635  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.064   2.337  -1.491  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.455   2.678   1.322  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.782   4.020   0.366  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.358   2.547  -0.450  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.989   0.473  -0.271  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.265   0.612   1.482  1.00  0.00           H  
HETATM   63  H   UNL     1       6.735   1.035   1.920  1.00  0.00           H  
HETATM   64  H   UNL     1       6.247  -0.670   1.761  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.258  -0.769   0.988  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.822   0.718   1.866  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.572  -3.474  -0.835  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.813  -6.337  -1.295  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.081  -5.455  -0.412  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.537  -4.873  -2.004  1.00  0.00           H  
HETATM   71  H   UNL     1       2.375   2.878  -1.088  1.00  0.00           H  
HETATM   72  H   UNL     1       4.616   1.939  -0.680  1.00  0.00           H  
HETATM   73  H   UNL     1       4.016   0.303  -1.043  1.00  0.00           H  
HETATM   74  H   UNL     1       4.071   2.670  -2.971  1.00  0.00           H  
HETATM   75  H   UNL     1       5.144   1.251  -3.022  1.00  0.00           H  
HETATM   76  H   UNL     1       1.145   0.730  -3.904  1.00  0.00           H  
HETATM   77  H   UNL     1       1.717   2.364  -3.490  1.00  0.00           H  
HETATM   78  H   UNL     1       1.548  -0.019  -1.588  1.00  0.00           H  
HETATM   79  H   UNL     1       0.470   1.399  -1.594  1.00  0.00           H  
HETATM   80  H   UNL     1       2.554   2.339   2.390  1.00  0.00           H  
HETATM   81  H   UNL     1       1.744   4.087   0.765  1.00  0.00           H  
HETATM   82  H   UNL     1       3.255   4.533   1.593  1.00  0.00           H  
HETATM   83  H   UNL     1       3.300   3.951  -0.088  1.00  0.00           H  
CONECT    1   14    3    3   42                                       
CONECT    2   39   39   15   11                                       
CONECT    3    1    1   43   44                                       
CONECT    4   27   12    6    6                                       
CONECT    5   10    9    9   45                                       
CONECT    6    4    4    7   46                                       
CONECT    7    8    8    6   47                                       
CONECT    8   36   13    7    7                                       
CONECT    9    5    5   25   13                                       
CONECT   10   11   11    5   48                                       
CONECT   11    2   10   10   24                                       
CONECT   12   16    4   22                                            
CONECT   13    9    8   49                                            
CONECT   14   22    1   50   51                                       
CONECT   15   17    2   52                                            
CONECT   16   33   38   38   12                                       
CONECT   17   23   18   15   53                                       
CONECT   18   19   17   54   55                                       
CONECT   19   35   18   56   57                                       
CONECT   20   35   58   59   60                                       
CONECT   21   35   23   61   62                                       
CONECT   22   12   14   63   64                                       
CONECT   23   21   17   65   66                                       
CONECT   24   11   25   25   67                                       
CONECT   25   24   24    9   40                                       
CONECT   26   40   68   69   70                                       
CONECT   27   37   36   36    4                                       
CONECT   28   32   29   37   71                                       
CONECT   29   30   28   72   73                                       
CONECT   30   41   29   74   75                                       
CONECT   31   41   32   76   77                                       
CONECT   32   31   28   78   79                                       
CONECT   33   37   34   16   80                                       
CONECT   34   33   81   82   83                                       
CONECT   35   20   21   19                                            
CONECT   36   27   27    8                                            
CONECT   37   28   33   27                                            
CONECT   38   16   16                                                 
CONECT   39    2    2                                                 
CONECT   40   25   26                                                 
CONECT   41   31   30                                                 
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
