COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.994   0.063  -3.718  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.654  -0.317  -2.276  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.414   0.934  -1.470  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.867  -1.180   0.640  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.294  -2.815   2.155  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.361  -2.981   1.163  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.673  -3.705   0.995  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.102  -1.813   0.446  1.00  0.00           C  
HETATM    9  C   UNL     1       1.071   2.604  -0.653  1.00  0.00           C  
HETATM   10  C   UNL     1       1.959   0.808  -2.078  1.00  0.00           C  
HETATM   11  C   UNL     1       2.600  -0.202  -1.162  1.00  0.00           C  
HETATM   12  C   UNL     1       4.185  -1.936  -0.778  1.00  0.00           C  
HETATM   13  C   UNL     1       4.206  -1.779   0.601  1.00  0.00           C  
HETATM   14  C   UNL     1       4.728  -2.777   1.401  1.00  0.00           C  
HETATM   15  C   UNL     1       5.227  -3.933   0.830  1.00  0.00           C  
HETATM   16  C   UNL     1       5.208  -4.094  -0.544  1.00  0.00           C  
HETATM   17  C   UNL     1       4.688  -3.099  -1.350  1.00  0.00           C  
HETATM   18  C   UNL     1       5.795  -5.020   1.706  1.00  0.00           C  
HETATM   19  C   UNL     1       2.834   5.366   0.834  1.00  0.00           C  
HETATM   20  C   UNL     1       2.342   6.485   1.709  1.00  0.00           C  
HETATM   21  C   UNL     1       3.531   7.153   2.406  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.444   1.536  -0.828  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.205   2.710  -0.074  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.122   3.260   0.509  1.00  0.00           O  
HETATM   25  N   UNL     1       0.040   3.214  -0.004  1.00  0.00           N  
HETATM   26  N   UNL     1       0.581   4.336   0.640  1.00  0.00           N  
HETATM   27  C   UNL     1       1.868   4.352   0.361  1.00  0.00           C  
HETATM   28  N   UNL     1       2.161   3.304  -0.421  1.00  0.00           N  
HETATM   29  N   UNL     1       0.846   1.460  -1.383  1.00  0.00           N  
HETATM   30  O   UNL     1       2.170  -0.362  -0.039  1.00  0.00           O  
HETATM   31  N   UNL     1       3.652  -0.928  -1.591  1.00  0.00           N  
HETATM   32 CL   UNL     1       4.663  -3.301  -3.074  1.00  0.00          Cl  
HETATM   33  F   UNL     1       6.338  -4.450   2.862  1.00  0.00           F  
HETATM   34  F   UNL     1       4.778  -5.913   2.059  1.00  0.00           F  
HETATM   35  F   UNL     1       6.796  -5.705   1.009  1.00  0.00           F  
HETATM   36  O   UNL     1       4.540   7.419   1.424  1.00  0.00           O  
HETATM   37  C   UNL     1       5.151   6.233   0.913  1.00  0.00           C  
HETATM   38  C   UNL     1       4.095   5.260   0.470  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.742   0.997  -0.909  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.043  -0.319  -0.329  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.212  -0.166   0.652  1.00  0.00           C  
HETATM   42  N   UNL     1      -5.290   0.579  -0.014  1.00  0.00           N  
HETATM   43  C   UNL     1      -4.988   1.895  -0.594  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.821   1.744  -1.570  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.533   0.063  -0.092  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.380   0.619  -0.763  1.00  0.00           O  
HETATM   47  N   UNL     1      -6.000  -1.714   1.499  1.00  0.00           N  
HETATM   48  N   UNL     1      -7.447  -3.438   1.998  1.00  0.00           N  
HETATM   49  O   UNL     1      -9.019  -1.303  -0.414  1.00  0.00           O  
HETATM   50  H   UNL     1      -1.892   0.680  -3.729  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.164   0.620  -4.153  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.168  -0.842  -4.301  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.484  -0.875  -1.842  1.00  0.00           H  
HETATM   54  H   UNL     1       0.244  -0.935  -2.265  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.569  -3.222   2.845  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.584  -4.437   0.193  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.928  -4.214   1.925  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.455  -2.987   0.747  1.00  0.00           H  
HETATM   59  H   UNL     1       2.697   1.557  -2.365  1.00  0.00           H  
HETATM   60  H   UNL     1       1.586   0.305  -2.970  1.00  0.00           H  
HETATM   61  H   UNL     1       3.816  -0.876   1.048  1.00  0.00           H  
HETATM   62  H   UNL     1       4.745  -2.655   2.474  1.00  0.00           H  
HETATM   63  H   UNL     1       5.600  -4.997  -0.987  1.00  0.00           H  
HETATM   64  H   UNL     1       1.819   7.221   1.098  1.00  0.00           H  
HETATM   65  H   UNL     1       1.659   6.086   2.460  1.00  0.00           H  
HETATM   66  H   UNL     1       3.209   8.089   2.863  1.00  0.00           H  
HETATM   67  H   UNL     1       3.927   6.488   3.173  1.00  0.00           H  
HETATM   68  H   UNL     1       4.040  -0.753  -2.462  1.00  0.00           H  
HETATM   69  H   UNL     1       5.782   6.489   0.062  1.00  0.00           H  
HETATM   70  H   UNL     1       5.764   5.778   1.691  1.00  0.00           H  
HETATM   71  H   UNL     1       4.384   4.435  -0.165  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.320  -1.013  -1.123  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.168  -0.695   0.200  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.575  -1.151   0.945  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.879   0.379   1.535  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.864   2.271  -1.124  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.714   2.590   0.200  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.459   2.730  -1.863  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.150   1.196  -2.453  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.937  -1.635  -1.318  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    3    1   53   54                                       
CONECT    3   29    2   22   22                                       
CONECT    4   47   47    8   45                                       
CONECT    5   48   48   47   55                                       
CONECT    6   48    7    8    8                                       
CONECT    7    6   56   57   58                                       
CONECT    8    6    6    4   49                                       
CONECT    9   28   28   29   25                                       
CONECT   10   29   11   59   60                                       
CONECT   11   10   31   30   30                                       
CONECT   12   31   13   13   17                                       
CONECT   13   12   12   14   61                                       
CONECT   14   13   15   15   62                                       
CONECT   15   14   14   16   18                                       
CONECT   16   17   17   15   63                                       
CONECT   17   12   32   16   16                                       
CONECT   18   15   33   35   34                                       
CONECT   19   38   38   27   20                                       
CONECT   20   19   21   64   65                                       
CONECT   21   36   20   66   67                                       
CONECT   22    3    3   23   39                                       
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25    9   26   23                                            
CONECT   26   27   27   25                                            
CONECT   27   28   19   26   26                                       
CONECT   28    9    9   27                                            
CONECT   29   10    9    3                                            
CONECT   30   11   11                                                 
CONECT   31   11   12   68                                            
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   37   21                                                 
CONECT   37   36   38   69   70                                       
CONECT   38   37   19   19   71                                       
CONECT   39   44   22   40                                            
CONECT   40   39   41   72   73                                       
CONECT   41   42   40   74   75                                       
CONECT   42   43   45   41                                            
CONECT   43   44   42   76   77                                       
CONECT   44   43   39   78   79                                       
CONECT   45    4   42   46   46                                       
CONECT   46   45   45                                                 
CONECT   47    5    4    4                                            
CONECT   48    5    5    6                                            
CONECT   49    8   80                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   31                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   49                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
