COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.502  -1.589  -0.278  1.00  0.00           N  
HETATM    2  C   UNL     1       2.747  -3.159  -0.863  1.00  0.00           C  
HETATM    3  C   UNL     1       3.182  -1.680  -0.919  1.00  0.00           C  
HETATM    4  C   UNL     1       2.190  -0.825  -0.174  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.059   0.060   0.142  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.505   0.126   0.504  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.864  -0.334   0.210  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.427   1.946  -0.607  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.258  -1.431   1.202  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.594  -2.045   0.780  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.443  -2.700  -0.594  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.202  -4.369   0.009  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.016  -3.099   1.805  1.00  0.00           C  
HETATM   14  C   UNL     1       0.014   1.497  -0.378  1.00  0.00           C  
HETATM   15  N   UNL     1      11.858   3.117  -0.841  1.00  0.00           N  
HETATM   16  N   UNL     1      11.209   2.682  -0.033  1.00  0.00           N1+
HETATM   17  N   UNL     1      10.560   2.246   0.775  1.00  0.00           N  
HETATM   18  C   UNL     1       9.102   2.354   0.681  1.00  0.00           C  
HETATM   19  C   UNL     1       8.497   0.974   0.656  1.00  0.00           C  
HETATM   20  O   UNL     1       9.212  -0.003   0.712  1.00  0.00           O  
HETATM   21  N   UNL     1       7.160   0.826   0.573  1.00  0.00           N  
HETATM   22  C   UNL     1       6.571  -0.515   0.549  1.00  0.00           C  
HETATM   23  C   UNL     1       6.390  -1.018   1.983  1.00  0.00           C  
HETATM   24  C   UNL     1       5.231  -0.464  -0.139  1.00  0.00           C  
HETATM   25  O   UNL     1       4.809   0.590  -0.567  1.00  0.00           O  
HETATM   26  C   UNL     1       4.892  -2.930   0.194  1.00  0.00           C  
HETATM   27  C   UNL     1       4.098  -3.912  -0.703  1.00  0.00           C  
HETATM   28  F   UNL     1       3.915  -5.140  -0.059  1.00  0.00           F  
HETATM   29  F   UNL     1       4.724  -4.088  -1.942  1.00  0.00           F  
HETATM   30  O   UNL     1       2.546  -0.186   0.793  1.00  0.00           O  
HETATM   31  N   UNL     1       0.906  -0.771  -0.582  1.00  0.00           N  
HETATM   32  C   UNL     1       1.385   2.089  -0.049  1.00  0.00           C  
HETATM   33  C   UNL     1       1.458   3.526  -0.570  1.00  0.00           C  
HETATM   34  C   UNL     1       2.829   4.119  -0.241  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.449  -0.483  -0.071  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.617  -1.466  -0.761  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.780  -3.314  -1.015  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.353  -3.714   1.383  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.838   0.839   0.335  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.841   1.324   1.679  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.161   0.416  -0.032  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.207   1.171   0.412  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.518   0.528  -0.046  1.00  0.00           C  
HETATM   44  CA  UNL     1      -7.135   2.613  -0.135  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.469   3.289   0.046  1.00  0.00           C  
HETATM   46  O   UNL     1      -9.116   3.617  -0.920  1.00  0.00           O  
HETATM   47  N   UNL     1      -6.119   3.345   0.592  1.00  0.00           N  
HETATM   48  C   UNL     1      -4.784   3.329  -0.047  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.139   1.752  -1.947  1.00  0.00           C  
HETATM   50  O   UNL     1      -3.015   1.879  -0.817  1.00  0.00           O  
HETATM   51  H   UNL     1       2.098  -3.339  -0.006  1.00  0.00           H  
HETATM   52  H   UNL     1       2.252  -3.451  -1.790  1.00  0.00           H  
HETATM   53  H   UNL     1       3.251  -1.353  -1.957  1.00  0.00           H  
HETATM   54  H   UNL     1       0.177   0.046   1.206  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.365   0.868   1.113  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.902  -0.732  -0.804  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.490  -2.204   1.212  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.354  -1.001   2.199  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.353  -1.264   0.729  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.142  -1.948  -1.324  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.685  -3.481  -0.543  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.154  -4.806  -0.291  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.444  -5.150   0.060  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.258  -3.881   1.856  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.124  -2.633   2.784  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.134   1.500  -1.458  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.764   2.095   0.097  1.00  0.00           H  
HETATM   68  H   UNL     1      12.111   2.575  -1.605  1.00  0.00           H  
HETATM   69  H   UNL     1       8.722   2.903   1.543  1.00  0.00           H  
HETATM   70  H   UNL     1       8.835   2.884  -0.234  1.00  0.00           H  
HETATM   71  H   UNL     1       6.587   1.608   0.528  1.00  0.00           H  
HETATM   72  H   UNL     1       7.232  -1.192   0.007  1.00  0.00           H  
HETATM   73  H   UNL     1       5.729  -0.341   2.524  1.00  0.00           H  
HETATM   74  H   UNL     1       5.952  -2.016   1.965  1.00  0.00           H  
HETATM   75  H   UNL     1       7.359  -1.055   2.480  1.00  0.00           H  
HETATM   76  H   UNL     1       5.964  -3.080   0.065  1.00  0.00           H  
HETATM   77  H   UNL     1       4.614  -3.060   1.240  1.00  0.00           H  
HETATM   78  H   UNL     1       0.621  -1.283  -1.356  1.00  0.00           H  
HETATM   79  H   UNL     1       1.533   2.086   1.030  1.00  0.00           H  
HETATM   80  H   UNL     1       2.163   1.491  -0.525  1.00  0.00           H  
HETATM   81  H   UNL     1       1.310   3.530  -1.650  1.00  0.00           H  
HETATM   82  H   UNL     1       0.680   4.124  -0.094  1.00  0.00           H  
HETATM   83  H   UNL     1       2.978   4.116   0.839  1.00  0.00           H  
HETATM   84  H   UNL     1       3.607   3.521  -0.716  1.00  0.00           H  
HETATM   85  H   UNL     1       2.881   5.143  -0.612  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.538  -2.533  -1.067  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.672  -3.781  -1.995  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.111  -2.932   1.332  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.654  -4.465   2.113  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.446   2.063   1.829  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.188   1.202   1.502  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.592  -0.479   0.364  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.359   1.126   0.305  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.537   0.479  -1.135  1.00  0.00           H  
HETATM   95  HA  UNL     1      -6.878   2.588  -1.194  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.848   3.479   1.039  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.419   4.290   0.780  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.035   3.618   0.690  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.773   4.052  -0.862  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.591   1.026  -2.548  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.151   1.387  -1.771  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.184   2.703  -2.477  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.675   2.550  -1.425  1.00  0.00           H  
CONECT    1    3   26   24                                            
CONECT    2    3   27   51   52                                       
CONECT    3    4    2    1   53                                       
CONECT    4   31   30   30    3                                       
CONECT    5   35   14   31   54                                       
CONECT    6    7   35   55                                            
CONECT    7   39    9    6   56                                       
CONECT    8   48   39   50   49                                       
CONECT    9    7   10   57   58                                       
CONECT   10    9   11   13   59                                       
CONECT   11   10   37   60   61                                       
CONECT   12   37   38   62   63                                       
CONECT   13   10   38   64   65                                       
CONECT   14    5   32   66   67                                       
CONECT   15   16   16   68                                            
CONECT   16   17   17   15   15                                       
CONECT   17   18   16   16                                            
CONECT   18   19   17   69   70                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   71                                            
CONECT   22   24   23   21   72                                       
CONECT   23   22   73   74   75                                       
CONECT   24    1   25   25   22                                       
CONECT   25   24   24                                                 
CONECT   26   27    1   76   77                                       
CONECT   27    2   28   29   26                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    4    4                                                 
CONECT   31    5    4   78                                            
CONECT   32   14   33   79   80                                       
CONECT   33   34   32   81   82                                       
CONECT   34   33   83   84   85                                       
CONECT   35    6   36   36    5                                       
CONECT   36   35   35                                                 
CONECT   37   11   12   86   87                                       
CONECT   38   13   12   88   89                                       
CONECT   39   41   40    8    7                                       
CONECT   40   39   90                                                 
CONECT   41   42   39                                                 
CONECT   42   43   44   41   91                                       
CONECT   43   42   92   93   94                                       
CONECT   44   45   42   47   95                                       
CONECT   45   46   46   44   96                                       
CONECT   46   45   45                                                 
CONECT   47   44   48   97                                            
CONECT   48   47    8   98   99                                       
CONECT   49    8  100  101  102                                       
CONECT   50    8  103                                                 
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
