COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.853   1.431  -1.652  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.111   0.093  -1.651  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.453  -0.693   0.700  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.032  -1.541   1.625  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.900  -2.533   1.206  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.615  -1.819  -1.065  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.292   1.562  -0.961  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.005   1.800  -0.623  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.073   0.739  -0.618  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.503  -0.532  -0.961  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.656   0.982  -0.250  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.423   0.207   0.106  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.979   2.423   0.403  1.00  0.00           C  
HETATM   14  C   UNL     1       0.765   3.984   0.966  1.00  0.00           C  
HETATM   15  C   UNL     1       1.149   4.931   1.916  1.00  0.00           C  
HETATM   16  C   UNL     1       2.491   5.179   2.119  1.00  0.00           C  
HETATM   17  C   UNL     1       4.981   2.401  -0.800  1.00  0.00           C  
HETATM   18  C   UNL     1       8.922  -0.469  -0.639  1.00  0.00           C  
HETATM   19  C   UNL     1      10.848  -1.874  -0.541  1.00  0.00           C  
HETATM   20  C   UNL     1      12.213  -1.888  -1.251  1.00  0.00           C  
HETATM   21  C   UNL     1      13.328  -1.616  -0.264  1.00  0.00           C  
HETATM   22  C   UNL     1      12.754  -2.814   1.857  1.00  0.00           C  
HETATM   23  C   UNL     1      11.653  -3.514   1.679  1.00  0.00           C  
HETATM   24  O   UNL     1      -8.895   1.953  -0.322  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.744  -0.832  -0.644  1.00  0.00           C  
HETATM   26 CL   UNL     1     -10.628  -3.598   2.368  1.00  0.00          Cl  
HETATM   27  C   UNL     1     -10.188  -2.677  -0.142  1.00  0.00           C  
HETATM   28  F   UNL     1     -11.039  -3.642  -0.552  1.00  0.00           F  
HETATM   29  N   UNL     1      -6.707   0.314  -1.297  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.852  -0.726  -1.304  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.248  -1.839  -1.610  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.735  -0.068  -0.244  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.084   1.446   0.422  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.582   3.709   0.735  1.00  0.00           N  
HETATM   35  N   UNL     1       3.412   4.536   1.430  1.00  0.00           N  
HETATM   36  C   UNL     1       3.094   3.626   0.515  1.00  0.00           C  
HETATM   37  C   UNL     1       4.131   2.953  -0.208  1.00  0.00           C  
HETATM   38  C   UNL     1       6.047   1.709  -1.543  1.00  0.00           C  
HETATM   39  C   UNL     1       6.945   0.954  -0.562  1.00  0.00           C  
HETATM   40  N   UNL     1       8.006   0.265  -1.302  1.00  0.00           N  
HETATM   41  O   UNL     1       8.868  -0.560   0.571  1.00  0.00           O  
HETATM   42  O   UNL     1       9.897  -1.101  -1.319  1.00  0.00           O  
HETATM   43  C   UNL     1      13.693  -2.711   0.685  1.00  0.00           C  
HETATM   44  C   UNL     1      11.423  -4.144   0.328  1.00  0.00           C  
HETATM   45  C   UNL     1      10.363  -3.340  -0.421  1.00  0.00           C  
HETATM   46  C   UNL     1       1.761   3.325   0.249  1.00  0.00           C  
HETATM   47  N   UNL     1      -2.242   2.204   0.074  1.00  0.00           N  
HETATM   48  H   UNL     1      -8.333   2.135  -2.302  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.870   1.282  -2.016  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.169  -0.355  -2.643  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.775   0.081   1.028  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.807  -1.429   2.676  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.849  -1.921  -2.115  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.001   2.377  -0.959  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.690   2.799  -0.359  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.812  -1.362  -0.965  1.00  0.00           H  
HETATM   57  H   UNL     1       0.315  -0.582   0.121  1.00  0.00           H  
HETATM   58  H   UNL     1       0.403   5.464   2.487  1.00  0.00           H  
HETATM   59  H   UNL     1       2.791   5.911   2.854  1.00  0.00           H  
HETATM   60  H   UNL     1      10.954  -1.437   0.452  1.00  0.00           H  
HETATM   61  H   UNL     1      12.369  -2.865  -1.710  1.00  0.00           H  
HETATM   62  H   UNL     1      12.223  -1.122  -2.026  1.00  0.00           H  
HETATM   63  H   UNL     1      14.221  -1.355  -0.833  1.00  0.00           H  
HETATM   64  H   UNL     1      13.046  -0.744   0.326  1.00  0.00           H  
HETATM   65  H   UNL     1      12.972  -2.334   2.800  1.00  0.00           H  
HETATM   66  H   UNL     1      10.935  -3.633   2.477  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.352   2.802  -0.247  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.039  -1.071  -0.507  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.240   4.417   0.807  1.00  0.00           H  
HETATM   70  H   UNL     1       5.602   1.004  -2.246  1.00  0.00           H  
HETATM   71  H   UNL     1       6.642   2.441  -2.091  1.00  0.00           H  
HETATM   72  H   UNL     1       7.390   1.659   0.140  1.00  0.00           H  
HETATM   73  H   UNL     1       6.350   0.222  -0.015  1.00  0.00           H  
HETATM   74  H   UNL     1       8.049   0.338  -2.268  1.00  0.00           H  
HETATM   75  H   UNL     1      13.687  -3.659   0.147  1.00  0.00           H  
HETATM   76  H   UNL     1      14.701  -2.530   1.059  1.00  0.00           H  
HETATM   77  H   UNL     1      12.353  -4.139  -0.240  1.00  0.00           H  
HETATM   78  H   UNL     1      11.079  -5.170   0.458  1.00  0.00           H  
HETATM   79  H   UNL     1       9.423  -3.371   0.131  1.00  0.00           H  
HETATM   80  H   UNL     1      10.219  -3.761  -1.416  1.00  0.00           H  
HETATM   81  H   UNL     1       1.503   2.585  -0.494  1.00  0.00           H  
CONECT    1   24    2   48   49                                       
CONECT    2    1   29   25   50                                       
CONECT    3   25    4    4   51                                       
CONECT    4    3    3    5   52                                       
CONECT    5   27   27    4   26                                       
CONECT    6   25   25   27   53                                       
CONECT    7    8    8   29   54                                       
CONECT    8    7    7    9   55                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9   30   56                                       
CONECT   11   47    9   32   32                                       
CONECT   12   33   33   32   57                                       
CONECT   13   34   47   47   33                                       
CONECT   14   15   15   46   34                                       
CONECT   15   16   14   14   58                                       
CONECT   16   35   35   15   59                                       
CONECT   17   38   37   37   37                                       
CONECT   18   41   41   40   42                                       
CONECT   19   45   42   20   60                                       
CONECT   20   19   21   61   62                                       
CONECT   21   43   20   63   64                                       
CONECT   22   23   23   43   65                                       
CONECT   23   44   22   22   66                                       
CONECT   24    1   67                                                 
CONECT   25    2    6    6    3                                       
CONECT   26    5                                                      
CONECT   27    6   28    5    5                                       
CONECT   28   27                                                      
CONECT   29    7    2   30                                            
CONECT   30   29   10   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   11   11   12   68                                       
CONECT   33   13   12   12                                            
CONECT   34   14   13   69                                            
CONECT   35   16   16   36                                            
CONECT   36   35   37   46   46                                       
CONECT   37   17   17   17   36                                       
CONECT   38   39   17   70   71                                       
CONECT   39   38   40   72   73                                       
CONECT   40   39   18   74                                            
CONECT   41   18   18                                                 
CONECT   42   18   19                                                 
CONECT   43   22   21   75   76                                       
CONECT   44   23   45   77   78                                       
CONECT   45   44   19   79   80                                       
CONECT   46   36   36   14   81                                       
CONECT   47   13   13   11                                            
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
