COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.595   3.663  -0.605  1.00  0.00           C  
HETATM    2  N   UNL     1      -8.436   2.316  -0.051  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.478   1.928   0.812  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.601   2.645   1.255  1.00  0.00           O  
HETATM    5  N   UNL     1      -7.637   0.624   1.108  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.744   0.147   0.410  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.359  -1.094   0.336  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.472  -1.262  -0.467  1.00  0.00           C  
HETATM    9 CL   UNL     1     -11.243  -2.815  -0.561  1.00  0.00          Cl  
HETATM   10  C   UNL     1     -10.975  -0.197  -1.196  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.368   1.042  -1.127  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.254   1.221  -0.321  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.790  -0.159   2.011  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.431  -1.492   1.349  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.628  -1.223   0.074  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.408  -0.479   0.411  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.544  -0.324  -0.767  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.184   0.228  -0.333  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.285   0.391  -1.560  1.00  0.00           C  
HETATM   20  N   UNL     1       0.017   0.919  -1.145  1.00  0.00           N  
HETATM   21  N   UNL     1       0.189   2.190  -1.103  1.00  0.00           N  
HETATM   22  C   UNL     1       1.316   2.741  -0.745  1.00  0.00           C  
HETATM   23  C   UNL     1       2.413   1.949  -0.381  1.00  0.00           C  
HETATM   24  C   UNL     1       2.263   0.569  -0.414  1.00  0.00           C  
HETATM   25  C   UNL     1       0.997   0.057  -0.813  1.00  0.00           C  
HETATM   26  O   UNL     1       0.803  -1.146  -0.857  1.00  0.00           O  
HETATM   27  C   UNL     1       3.376  -0.335  -0.044  1.00  0.00           C  
HETATM   28  C   UNL     1       3.269  -1.154   1.079  1.00  0.00           C  
HETATM   29  C   UNL     1       4.309  -1.995   1.418  1.00  0.00           C  
HETATM   30  C   UNL     1       5.457  -2.026   0.646  1.00  0.00           C  
HETATM   31 CL   UNL     1       6.762  -3.086   1.079  1.00  0.00          Cl  
HETATM   32  C   UNL     1       5.569  -1.214  -0.470  1.00  0.00           C  
HETATM   33  C   UNL     1       4.534  -0.374  -0.822  1.00  0.00           C  
HETATM   34  C   UNL     1       6.823  -1.253  -1.306  1.00  0.00           C  
HETATM   35  N   UNL     1       7.900  -0.550  -0.604  1.00  0.00           N  
HETATM   36  C   UNL     1       9.121  -0.457  -1.166  1.00  0.00           C  
HETATM   37  O   UNL     1       9.330  -0.956  -2.254  1.00  0.00           O  
HETATM   38  C   UNL     1      10.207   0.253  -0.459  1.00  0.00           C  
HETATM   39  C   UNL     1       9.972   0.823   0.794  1.00  0.00           C  
HETATM   40  C   UNL     1      10.990   1.479   1.452  1.00  0.00           C  
HETATM   41  C   UNL     1      12.246   1.574   0.872  1.00  0.00           C  
HETATM   42  F   UNL     1      13.240   2.218   1.521  1.00  0.00           F  
HETATM   43  C   UNL     1      12.485   1.010  -0.371  1.00  0.00           C  
HETATM   44  C   UNL     1      11.474   0.351  -1.038  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.727   0.825   1.005  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.504   0.617   2.308  1.00  0.00           C  
HETATM   47  H   UNL     1      -7.813   4.313  -0.212  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.519   3.620  -1.692  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.571   4.058  -0.325  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.969  -1.926   0.903  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.842  -0.337  -1.824  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.762   1.870  -1.697  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.325  -0.346   2.942  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.833  -2.091   2.036  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.345  -2.031   1.097  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.359  -2.171  -0.392  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.232  -0.636  -0.618  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.407  -1.292  -1.247  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.009   0.368  -1.469  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.322   1.197   0.147  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.719  -0.463   0.370  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.148  -0.578  -2.041  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.750   1.082  -2.263  1.00  0.00           H  
HETATM   64  H   UNL     1       1.403   3.817  -0.728  1.00  0.00           H  
HETATM   65  H   UNL     1       3.349   2.399  -0.083  1.00  0.00           H  
HETATM   66  H   UNL     1       2.373  -1.131   1.682  1.00  0.00           H  
HETATM   67  H   UNL     1       4.227  -2.630   2.288  1.00  0.00           H  
HETATM   68  H   UNL     1       4.620   0.256  -1.695  1.00  0.00           H  
HETATM   69  H   UNL     1       7.115  -2.290  -1.474  1.00  0.00           H  
HETATM   70  H   UNL     1       6.636  -0.769  -2.264  1.00  0.00           H  
HETATM   71  H   UNL     1       7.733  -0.151   0.264  1.00  0.00           H  
HETATM   72  H   UNL     1       8.994   0.750   1.247  1.00  0.00           H  
HETATM   73  H   UNL     1      10.809   1.920   2.421  1.00  0.00           H  
HETATM   74  H   UNL     1      13.465   1.086  -0.819  1.00  0.00           H  
HETATM   75  H   UNL     1      11.662  -0.092  -2.005  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.804   1.365   1.215  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.335   1.402   0.309  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.754   1.585   2.741  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.891   0.051   3.010  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2   12    1    3                                            
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   13                                            
CONECT    6   12   12    7    5                                       
CONECT    7    8    8    6   50                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8                                                      
CONECT   10   11   11    8   51                                       
CONECT   11   10   10   12   52                                       
CONECT   12   11    2    6    6                                       
CONECT   13    5   46   14   53                                       
CONECT   14   13   15   54   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   15   45   17                                            
CONECT   17   16   18   58   59                                       
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   62   63                                       
CONECT   20   19   25   21                                            
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   64                                       
CONECT   23   22   24   24   65                                       
CONECT   24   25   23   23   27                                       
CONECT   25   26   26   20   24                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   28   33                                       
CONECT   28   27   27   29   66                                       
CONECT   29   28   30   30   67                                       
CONECT   30   29   29   32   31                                       
CONECT   31   30                                                      
CONECT   32   33   33   30   34                                       
CONECT   33   27   32   32   68                                       
CONECT   34   35   32   69   70                                       
CONECT   35   36   34   71                                            
CONECT   36   38   35   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   39   39   44   36                                       
CONECT   39   40   38   38   72                                       
CONECT   40   41   41   39   73                                       
CONECT   41   42   40   40   43                                       
CONECT   42   41                                                      
CONECT   43   41   44   44   74                                       
CONECT   44   43   43   38   75                                       
CONECT   45   46   16   76   77                                       
CONECT   46   13   45   78   79                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
CONECT   79   46                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
