COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.514   0.958   1.096  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.488   2.348   1.243  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.644   3.069   1.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.806  -1.140   0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       0.705   0.144   1.326  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.140   1.345   0.023  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.409   0.720  -0.365  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.432  -0.681  -0.563  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.192  -1.434  -0.372  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.577   1.464  -0.539  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.624  -1.306  -0.931  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.051  -1.228  -1.496  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.161  -0.182  -1.616  1.00  0.00           C  
HETATM   14  N   UNL     1       0.629  -1.167   1.297  1.00  0.00           N  
HETATM   15  C   UNL     1       1.937   0.785   1.569  1.00  0.00           C  
HETATM   16  C   UNL     1       1.655  -3.417   1.473  1.00  0.00           C  
HETATM   17  C   UNL     1       5.359   0.433   1.163  1.00  0.00           C  
HETATM   18  C   UNL     1       5.170  -0.299  -0.005  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.766   2.466   0.683  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.837   1.153   0.533  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.719   0.354   0.733  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.357  -1.725   1.742  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.049   0.564   0.169  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.102  -0.816  -0.028  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.744   0.822  -0.904  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.765  -0.552  -1.098  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.071   2.547   0.204  1.00  0.00           O  
HETATM   28  F   UNL     1      -7.566   2.802  -0.352  1.00  0.00           F  
HETATM   29  C   UNL     1     -10.435  -2.260  -0.434  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.864  -1.929  -2.843  1.00  0.00           C  
HETATM   31  N   UNL     1       1.765  -1.957   1.510  1.00  0.00           N  
HETATM   32  C   UNL     1       2.959  -1.380   1.750  1.00  0.00           C  
HETATM   33  C   UNL     1       3.059   0.034   1.775  1.00  0.00           C  
HETATM   34  O   UNL     1       3.948  -2.070   1.937  1.00  0.00           O  
HETATM   35  N   UNL     1       4.286   0.651   2.021  1.00  0.00           N  
HETATM   36  C   UNL     1       6.245  -0.508  -0.849  1.00  0.00           C  
HETATM   37  C   UNL     1       7.478   0.024  -0.496  1.00  0.00           C  
HETATM   38  C   UNL     1       7.594   0.740   0.678  1.00  0.00           C  
HETATM   39  N   UNL     1       6.552   0.920   1.467  1.00  0.00           N  
HETATM   40  C   UNL     1       8.678  -0.180  -1.385  1.00  0.00           C  
HETATM   41  C   UNL     1       9.216   1.181  -1.838  1.00  0.00           C  
HETATM   42  C   UNL     1      10.469   0.970  -2.690  1.00  0.00           C  
HETATM   43  N   UNL     1      11.485   0.259  -1.903  1.00  0.00           N  
HETATM   44  C   UNL     1      11.008  -1.069  -1.497  1.00  0.00           C  
HETATM   45  C   UNL     1       9.770  -0.921  -0.609  1.00  0.00           C  
HETATM   46  C   UNL     1      12.751   0.162  -2.641  1.00  0.00           C  
HETATM   47  H   UNL     1       0.426   2.851   1.524  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.630   4.143   1.138  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.445  -1.371  -0.292  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.808  -1.544   0.386  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.183  -2.505  -0.516  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.651  -2.374  -1.085  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.295   0.317  -0.656  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.888   0.553  -2.372  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.092  -0.671  -1.903  1.00  0.00           H  
HETATM   56  H   UNL     1       1.994   1.863   1.591  1.00  0.00           H  
HETATM   57  H   UNL     1       0.622  -3.699   1.267  1.00  0.00           H  
HETATM   58  H   UNL     1       2.302  -3.810   0.688  1.00  0.00           H  
HETATM   59  H   UNL     1       1.959  -3.829   2.435  1.00  0.00           H  
HETATM   60  H   UNL     1       4.196  -0.699  -0.249  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.442  -2.687   1.702  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.649   1.395  -1.040  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.644  -3.005  -0.349  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.569  -1.761   0.526  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.366  -2.749  -0.722  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.795  -2.418  -3.131  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.590  -1.194  -3.600  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.073  -2.674  -2.758  1.00  0.00           H  
HETATM   69  H   UNL     1       4.391   1.232   2.790  1.00  0.00           H  
HETATM   70  H   UNL     1       6.128  -1.073  -1.762  1.00  0.00           H  
HETATM   71  H   UNL     1       8.552   1.156   0.957  1.00  0.00           H  
HETATM   72  H   UNL     1       8.389  -0.766  -2.258  1.00  0.00           H  
HETATM   73  H   UNL     1       8.457   1.694  -2.428  1.00  0.00           H  
HETATM   74  H   UNL     1       9.466   1.782  -0.964  1.00  0.00           H  
HETATM   75  H   UNL     1      10.215   0.380  -3.571  1.00  0.00           H  
HETATM   76  H   UNL     1      10.863   1.937  -3.002  1.00  0.00           H  
HETATM   77  H   UNL     1      10.751  -1.649  -2.383  1.00  0.00           H  
HETATM   78  H   UNL     1      11.793  -1.582  -0.942  1.00  0.00           H  
HETATM   79  H   UNL     1      10.029  -0.353   0.284  1.00  0.00           H  
HETATM   80  H   UNL     1       9.408  -1.908  -0.322  1.00  0.00           H  
HETATM   81  H   UNL     1      12.605  -0.445  -3.534  1.00  0.00           H  
HETATM   82  H   UNL     1      13.081   1.160  -2.929  1.00  0.00           H  
HETATM   83  H   UNL     1      13.507  -0.302  -2.006  1.00  0.00           H  
CONECT    1    5    2    2   21                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2   19   19   48                                       
CONECT    4   21   22   49   50                                       
CONECT    5   15   14   14    1                                       
CONECT    6   23   27   27    7                                       
CONECT    7    6    8    8   10                                       
CONECT    8    9    7    7   11                                       
CONECT    9   24   24    8   51                                       
CONECT   10    7   28   25   25                                       
CONECT   11    8   26   26   52                                       
CONECT   12   26   13   29   30                                       
CONECT   13   12   53   54   55                                       
CONECT   14   31    5    5                                            
CONECT   15   33   33    5   56                                       
CONECT   16   31   57   58   59                                       
CONECT   17   39   39   18   35                                       
CONECT   18   36   36   17   60                                       
CONECT   19    3    3   20                                            
CONECT   20   21   21   19   23                                       
CONECT   21    1    4   20   20                                       
CONECT   22    4   61                                                 
CONECT   23   20   24    6                                            
CONECT   24   23    9    9                                            
CONECT   25   10   10   26   62                                       
CONECT   26   11   11   25   12                                       
CONECT   27    6    6                                                 
CONECT   28   10                                                      
CONECT   29   12   63   64   65                                       
CONECT   30   12   66   67   68                                       
CONECT   31   32   14   16                                            
CONECT   32   33   34   34   31                                       
CONECT   33   35   32   15   15                                       
CONECT   34   32   32                                                 
CONECT   35   17   33   69                                            
CONECT   36   37   18   18   70                                       
CONECT   37   40   38   38   36                                       
CONECT   38   37   37   39   71                                       
CONECT   39   38   17   17                                            
CONECT   40   45   41   37   72                                       
CONECT   41   42   40   73   74                                       
CONECT   42   43   41   75   76                                       
CONECT   43   46   44   42                                            
CONECT   44   43   45   77   78                                       
CONECT   45   44   40   79   80                                       
CONECT   46   43   81   82   83                                       
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   46                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
