COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.603   4.464   2.845  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.177   2.526   2.928  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.060   3.194   2.124  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.820   2.784  -2.879  1.00  0.00           C  
HETATM    5  O   UNL     1       1.523   3.854  -0.317  1.00  0.00           O  
HETATM    6  N   UNL     1       3.425  -0.402   0.152  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.996  -1.454  -0.091  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.573   3.552   0.753  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.594   4.376   0.633  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.077   4.718  -0.546  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.524   4.219  -1.711  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.449   3.349  -1.632  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.961   3.014  -0.371  1.00  0.00           C  
HETATM   14  C   UNL     1       2.343   0.432   0.024  1.00  0.00           C  
HETATM   15  C   UNL     1       2.510   1.819  -0.089  1.00  0.00           C  
HETATM   16  C   UNL     1       1.371   2.649  -0.220  1.00  0.00           C  
HETATM   17  N   UNL     1       0.128   2.143  -0.239  1.00  0.00           N  
HETATM   18  C   UNL     1       0.739  -1.479   0.097  1.00  0.00           C  
HETATM   19  C   UNL     1       0.979  -0.102  -0.005  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.106   0.787  -0.133  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.345   0.317  -0.156  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.595  -0.982  -0.061  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.559  -1.915   0.068  1.00  0.00           C  
HETATM   24  C   UNL     1       4.247  -0.380   1.371  1.00  0.00           C  
HETATM   25  C   UNL     1       5.707  -0.131   0.973  1.00  0.00           C  
HETATM   26  N   UNL     1       6.065  -1.063  -0.106  1.00  0.00           N  
HETATM   27  C   UNL     1       5.243  -1.085  -1.324  1.00  0.00           C  
HETATM   28  C   UNL     1       3.780  -1.338  -0.924  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.812  -1.166  -1.192  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.125  -1.618  -1.215  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.625  -2.352  -0.153  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.819  -2.639   0.941  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.510  -2.196   0.976  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.308  -0.426  -2.263  1.00  0.00           N  
HETATM   35 CL   UNL     1      -0.917  -3.609   0.191  1.00  0.00          Cl  
HETATM   36  F   UNL     1      -5.916  -1.341  -2.275  1.00  0.00           F  
HETATM   37  F   UNL     1      -6.903  -2.789  -0.180  1.00  0.00           F  
HETATM   38  F   UNL     1      -5.315  -3.356   1.973  1.00  0.00           F  
HETATM   39  F   UNL     1      -2.728  -2.483   2.040  1.00  0.00           F  
HETATM   40  C   UNL     1       7.128  -1.882   0.020  1.00  0.00           C  
HETATM   41  O   UNL     1       7.744  -1.922   1.068  1.00  0.00           O  
HETATM   42  C   UNL     1       7.542  -2.727  -1.110  1.00  0.00           C  
HETATM   43  C   UNL     1       8.528  -3.607  -0.956  1.00  0.00           C  
HETATM   44  C   UNL     1       3.822   2.392  -0.071  1.00  0.00           C  
HETATM   45  N   UNL     1       4.864   2.846  -0.057  1.00  0.00           N  
HETATM   46  H   UNL     1      -0.232   4.205   3.837  1.00  0.00           H  
HETATM   47  H   UNL     1       0.193   4.940   2.272  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.444   5.151   2.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.806   2.267   3.920  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.018   3.213   3.023  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.503   1.621   2.415  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.219   2.507   2.030  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.020   3.445  -3.214  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.409   1.798  -2.664  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.574   2.701  -3.661  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.915   5.397  -0.601  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.927   4.504  -2.672  1.00  0.00           H  
HETATM   58  H   UNL     1       1.556  -2.178   0.196  1.00  0.00           H  
HETATM   59  H   UNL     1       3.905   0.421   2.027  1.00  0.00           H  
HETATM   60  H   UNL     1       4.163  -1.337   1.886  1.00  0.00           H  
HETATM   61  H   UNL     1       5.821   0.895   0.623  1.00  0.00           H  
HETATM   62  H   UNL     1       6.354  -0.301   1.833  1.00  0.00           H  
HETATM   63  H   UNL     1       5.324  -0.127  -1.838  1.00  0.00           H  
HETATM   64  H   UNL     1       5.585  -1.885  -1.981  1.00  0.00           H  
HETATM   65  H   UNL     1       3.666  -2.362  -0.570  1.00  0.00           H  
HETATM   66  H   UNL     1       3.130  -1.171  -1.783  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.413  -0.054  -2.217  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.852  -0.283  -3.053  1.00  0.00           H  
HETATM   69  H   UNL     1       7.047  -2.634  -2.065  1.00  0.00           H  
HETATM   70  H   UNL     1       9.024  -3.700  -0.001  1.00  0.00           H  
HETATM   71  H   UNL     1       8.833  -4.228  -1.785  1.00  0.00           H  
CONECT    1    3   46   47   48                                       
CONECT    2    3   49   50   51                                       
CONECT    3    8    2    1   52                                       
CONECT    4   12   53   54   55                                       
CONECT    5   16   16                                                 
CONECT    6   24   14   28                                            
CONECT    7   29   29   22   33                                       
CONECT    8   13   13    9    3                                       
CONECT    9   10   10    8                                            
CONECT   10   11    9    9   56                                       
CONECT   11   12   12   10   57                                       
CONECT   12    4   11   11   13                                       
CONECT   13   12   17    8    8                                       
CONECT   14    6   19   15   15                                       
CONECT   15   14   14   44   16                                       
CONECT   16   15   17    5    5                                       
CONECT   17   20   16   13                                            
CONECT   18   23   23   19   58                                       
CONECT   19   18   14   20   20                                       
CONECT   20   19   19   21   17                                       
CONECT   21   22   22   20                                            
CONECT   22   23    7   21   21                                       
CONECT   23   35   18   18   22                                       
CONECT   24   25    6   59   60                                       
CONECT   25   26   24   61   62                                       
CONECT   26   25   40   27                                            
CONECT   27   26   28   63   64                                       
CONECT   28   27    6   65   66                                       
CONECT   29   34    7    7   30                                       
CONECT   30   29   36   31   31                                       
CONECT   31   30   30   37   32                                       
CONECT   32   31   33   33   38                                       
CONECT   33    7   32   32   39                                       
CONECT   34   29   67   68                                            
CONECT   35   23                                                      
CONECT   36   30                                                      
CONECT   37   31                                                      
CONECT   38   32                                                      
CONECT   39   33                                                      
CONECT   40   42   41   41   26                                       
CONECT   41   40   40                                                 
CONECT   42   43   43   40   69                                       
CONECT   43   42   42   70   71                                       
CONECT   44   15   45   45   45                                       
CONECT   45   44   44   44                                            
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   18                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   42                                                      
CONECT   70   43                                                      
CONECT   71   43                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
