COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.154   0.243  -0.037  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.014   1.991  -2.647  1.00  0.00           C  
HETATM    3  C   UNL     1       0.889   2.151  -1.421  1.00  0.00           C  
HETATM    4  C   UNL     1       3.021   1.197  -0.730  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.812   0.690  -2.544  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.271   0.949  -2.924  1.00  0.00           C  
HETATM    7  C   UNL     1       0.041   2.145  -0.175  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.711   2.491   1.856  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.017  -1.559   2.227  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.902   1.191   1.632  1.00  0.00           C  
HETATM   11 CL   UNL     1       6.085  -4.825  -0.614  1.00  0.00          Cl  
HETATM   12  C   UNL     1       8.340  -1.696   0.437  1.00  0.00           C  
HETATM   13  C   UNL     1       7.917  -2.975   0.130  1.00  0.00           C  
HETATM   14  C   UNL     1       6.600  -3.212  -0.231  1.00  0.00           C  
HETATM   15  C   UNL     1       5.696  -2.171  -0.288  1.00  0.00           C  
HETATM   16  C   UNL     1       6.111  -0.871   0.021  1.00  0.00           C  
HETATM   17  C   UNL     1       7.446  -0.638   0.386  1.00  0.00           C  
HETATM   18  N   UNL     1       7.873   0.658   0.698  1.00  0.00           N  
HETATM   19  C   UNL     1       8.595   1.048   1.771  1.00  0.00           C  
HETATM   20  N   UNL     1       8.777   2.338   1.668  1.00  0.00           N  
HETATM   21  N   UNL     1       8.220   2.791   0.603  1.00  0.00           N  
HETATM   22  N   UNL     1       7.649   1.832  -0.043  1.00  0.00           N  
HETATM   23  C   UNL     1       3.976   0.089  -0.678  1.00  0.00           C  
HETATM   24  O   UNL     1       3.289   2.257  -0.195  1.00  0.00           O  
HETATM   25  N   UNL     1       1.845   1.043  -1.369  1.00  0.00           N  
HETATM   26  N   UNL     1       0.330   2.747   0.998  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.601   1.737   1.172  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.108   1.540  -0.072  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.381   1.400   2.914  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.605   0.872   3.283  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.353   0.135   2.372  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.876  -0.079   1.083  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.655   0.444   0.712  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.591  -0.394   2.754  1.00  0.00           N  
HETATM   35  O   UNL     1      -6.288  -2.197   1.493  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.251  -2.016   2.514  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.643  -3.277   1.911  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.057  -0.364  -2.912  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.859  -0.461  -1.606  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.119   0.257  -0.564  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.214   0.170  -1.794  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.419   1.292  -1.395  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.195  -0.515  -2.403  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.458  -0.776  -3.262  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.475   0.154  -2.549  1.00  0.00           C  
HETATM   46  H   UNL     1       5.391   1.184   0.437  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.703   2.834  -2.702  1.00  0.00           H  
HETATM   48  H   UNL     1       0.600   1.968  -3.548  1.00  0.00           H  
HETATM   49  H   UNL     1       1.430   3.095  -1.489  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.387  -0.051  -3.221  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.765   0.315  -1.521  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.713   1.642  -2.209  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.312   1.386  -3.922  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.801   2.826   2.878  1.00  0.00           H  
HETATM   55  H   UNL     1       9.366  -1.522   0.722  1.00  0.00           H  
HETATM   56  H   UNL     1       8.618  -3.796   0.171  1.00  0.00           H  
HETATM   57  H   UNL     1       4.671  -2.359  -0.571  1.00  0.00           H  
HETATM   58  H   UNL     1       8.954   0.412   2.567  1.00  0.00           H  
HETATM   59  H   UNL     1       3.738  -0.852  -1.152  1.00  0.00           H  
HETATM   60  H   UNL     1       1.632   0.198  -1.795  1.00  0.00           H  
HETATM   61  H   UNL     1       1.125   3.265   1.199  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.802   1.972   3.624  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.981   1.033   4.282  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.459  -0.652   0.377  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.142   0.078   3.398  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.959  -4.062   2.232  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.657  -3.529   2.223  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.609  -3.187   0.825  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.740  -0.388  -3.761  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.365  -1.204  -2.978  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.974  -1.507  -1.322  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.238   0.609  -0.765  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.068  -1.032  -4.247  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.589  -1.685  -2.675  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.419  -0.273  -3.372  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.865   0.411  -1.564  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.344   1.064  -3.136  1.00  0.00           H  
CONECT    1   16   23   23   46                                       
CONECT    2    5    3   47   48                                       
CONECT    3    2   25    7   49                                       
CONECT    4   25   23   24   24                                       
CONECT    5    2    6   50   51                                       
CONECT    6    5   38   52   53                                       
CONECT    7   26    3   28   28                                       
CONECT    8   26   27   27   54                                       
CONECT    9   35   35   34   36                                       
CONECT   10   27   29   29   33                                       
CONECT   11   14                                                      
CONECT   12   17   17   13   55                                       
CONECT   13   12   14   14   56                                       
CONECT   14   13   13   15   11                                       
CONECT   15   16   16   14   57                                       
CONECT   16   17    1   15   15                                       
CONECT   17   18   12   12   16                                       
CONECT   18   19   22   17                                            
CONECT   19   20   20   18   58                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22                                            
CONECT   22   21   21   18                                            
CONECT   23    1    1    4   59                                       
CONECT   24    4    4                                                 
CONECT   25    3    4   60                                            
CONECT   26    8    7   61                                            
CONECT   27    8    8   28   10                                       
CONECT   28    7    7   27                                            
CONECT   29   10   10   30   62                                       
CONECT   30   29   31   31   63                                       
CONECT   31   30   30   32   34                                       
CONECT   32   33   33   31   64                                       
CONECT   33   10   40   32   32                                       
CONECT   34   31    9   65                                            
CONECT   35    9    9                                                 
CONECT   36    9   37                                                 
CONECT   37   36   66   67   68                                       
CONECT   38    6   39   69   70                                       
CONECT   39   41   38   40   71                                       
CONECT   40   39   33   72                                            
CONECT   41   42   42   39   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   45                                                 
CONECT   44   45   73   74   75                                       
CONECT   45   43   44   76   77                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   44                                                      
CONECT   74   44                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
