COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.292   3.672  -1.134  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.489  -4.010  -2.910  1.00  0.00           C  
HETATM    3  O   UNL     1       1.502  -4.363  -0.862  1.00  0.00           O  
HETATM    4  C   UNL     1       0.081  -5.379  -2.532  1.00  0.00           C  
HETATM    5  C   UNL     1       5.694   5.602  -2.050  1.00  0.00           C  
HETATM    6  C   UNL     1       6.786   4.744  -1.833  1.00  0.00           C  
HETATM    7  C   UNL     1       8.145   6.221  -2.953  1.00  0.00           C  
HETATM    8  C   UNL     1       5.919   6.797  -2.754  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.987  -6.453  -2.746  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.122  -6.232  -1.781  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.961  -4.885  -0.919  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.714  -3.609  -1.301  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.787  -3.334  -0.278  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.625  -1.987   0.584  1.00  0.00           C  
HETATM   15  C   UNL     1       1.296  -5.685  -3.410  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.378  -0.711   0.202  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.334   1.056   0.781  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.482   1.737   1.482  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.885   2.989   0.701  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.965   3.747   1.476  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.363   4.980   0.706  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.682   3.876   0.517  1.00  0.00           C  
HETATM   23  C   UNL     1       0.505  -5.366  -1.062  1.00  0.00           C  
HETATM   24  C   UNL     1       5.908  -0.108   1.507  1.00  0.00           C  
HETATM   25  C   UNL     1       6.886   0.534   0.522  1.00  0.00           C  
HETATM   26  C   UNL     1       7.911   1.395   1.286  1.00  0.00           C  
HETATM   27  C   UNL     1       7.734   2.813   0.691  1.00  0.00           C  
HETATM   28  C   UNL     1       7.057   2.512  -0.670  1.00  0.00           C  
HETATM   29  C   UNL     1       4.959   3.887  -0.944  1.00  0.00           C  
HETATM   30  N   UNL     1       4.610   5.020  -1.482  1.00  0.00           N  
HETATM   31  N   UNL     1       7.982   5.091  -2.298  1.00  0.00           N  
HETATM   32  N   UNL     1       7.150   7.058  -3.181  1.00  0.00           N  
HETATM   33  N   UNL     1       4.882   7.681  -2.998  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.918  -5.152  -1.913  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.582  -2.254  -0.410  1.00  0.00           N  
HETATM   36  O   UNL     1       3.026  -5.357   1.036  1.00  0.00           O  
HETATM   37  O   UNL     1      11.678   0.125   1.627  1.00  0.00           O  
HETATM   38  O   UNL     1       9.638  -0.805   2.999  1.00  0.00           O  
HETATM   39  O   UNL     1      10.371   1.602   3.202  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.321  -7.026  -0.886  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.934  -4.085   0.663  1.00  0.00           O  
HETATM   42  O   UNL     1      -9.884   1.526  -0.242  1.00  0.00           O  
HETATM   43  O   UNL     1     -12.837   5.227  -0.353  1.00  0.00           O  
HETATM   44  O   UNL     1     -14.301   5.804   1.198  1.00  0.00           O  
HETATM   45  O   UNL     1     -10.300   4.155  -0.595  1.00  0.00           O  
HETATM   46  O   UNL     1     -10.033   4.358   1.589  1.00  0.00           O  
HETATM   47  O   UNL     1       1.119  -3.791   1.567  1.00  0.00           O  
HETATM   48  O   UNL     1     -12.396   2.608  -0.578  1.00  0.00           O  
HETATM   49  O   UNL     1      -0.415  -7.744  -2.522  1.00  0.00           O  
HETATM   50  O   UNL     1       3.155  -2.796   0.453  1.00  0.00           O  
HETATM   51  O   UNL     1       2.770  -0.819   2.142  1.00  0.00           O  
HETATM   52  O   UNL     1       4.450  -2.642   2.614  1.00  0.00           O  
HETATM   53  O   UNL     1       5.025  -0.982   0.801  1.00  0.00           O  
HETATM   54  O   UNL     1       6.176   1.408  -0.372  1.00  0.00           O  
HETATM   55  O   UNL     1       9.000   3.449   0.502  1.00  0.00           O  
HETATM   56  O   UNL     1       9.237   0.917   1.054  1.00  0.00           O  
HETATM   57  P   UNL     1       2.177  -4.071   0.570  1.00  0.00           P  
HETATM   58  P   UNL     1       3.863  -1.828   1.526  1.00  0.00           P  
HETATM   59  P   UNL     1      10.234   0.484   2.242  1.00  0.00           P  
HETATM   60  S   UNL     1      -9.666  -0.381   1.430  1.00  0.00           S  
HETATM   61  H   UNL     1      -1.281  -3.741  -2.211  1.00  0.00           H  
HETATM   62  H   UNL     1       0.302  -3.262  -2.867  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.895  -4.052  -3.921  1.00  0.00           H  
HETATM   64  H   UNL     1       9.130   6.472  -3.318  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.361  -6.394  -3.768  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.503  -4.757   0.062  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.657  -5.723  -0.889  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.017  -2.771  -1.331  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.171  -3.737  -2.282  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.168  -1.859   1.565  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.321  -2.825   0.614  1.00  0.00           H  
HETATM   72  H   UNL     1       2.081  -4.954  -3.213  1.00  0.00           H  
HETATM   73  H   UNL     1       1.666  -6.685  -3.183  1.00  0.00           H  
HETATM   74  H   UNL     1       1.008  -5.634  -4.460  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.682   0.127   0.172  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.835  -0.839  -0.779  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.330   1.054   1.538  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.176   2.020   2.489  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.836   3.105   1.608  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.575   4.038   2.451  1.00  0.00           H  
HETATM   81  H   UNL     1       0.911  -6.341  -0.793  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.361  -5.148  -0.436  1.00  0.00           H  
HETATM   83  H   UNL     1       6.464  -0.678   2.252  1.00  0.00           H  
HETATM   84  H   UNL     1       5.329   0.670   2.004  1.00  0.00           H  
HETATM   85  H   UNL     1       7.400  -0.240  -0.048  1.00  0.00           H  
HETATM   86  H   UNL     1       7.687   1.398   2.352  1.00  0.00           H  
HETATM   87  H   UNL     1       7.085   3.421   1.322  1.00  0.00           H  
HETATM   88  H   UNL     1       7.801   2.220  -1.412  1.00  0.00           H  
HETATM   89  H   UNL     1       4.291   3.217  -0.424  1.00  0.00           H  
HETATM   90  H   UNL     1       3.988   7.478  -2.682  1.00  0.00           H  
HETATM   91  H   UNL     1       5.050   8.502  -3.485  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.800  -4.551  -2.665  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.464  -1.654  -1.163  1.00  0.00           H  
HETATM   94  H   UNL     1       3.739  -5.599   0.428  1.00  0.00           H  
HETATM   95  H   UNL     1      12.331  -0.145   2.287  1.00  0.00           H  
HETATM   96  H   UNL     1       9.521  -1.577   2.429  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.523   6.583   0.668  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.267   4.923   1.422  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.173   2.034  -0.537  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.061  -7.867  -1.631  1.00  0.00           H  
HETATM  101  H   UNL     1       2.343  -0.252   1.485  1.00  0.00           H  
HETATM  102  H   UNL     1       8.941   4.340   0.131  1.00  0.00           H  
CONECT    1   28   29    6                                            
CONECT    2    4   61   62   63                                       
CONECT    3   57   23                                                 
CONECT    4    2    9   23   15                                       
CONECT    5    6   30    8    8                                       
CONECT    6    1   31   31    5                                       
CONECT    7   31   32   32   64                                       
CONECT    8    5    5   32   33                                       
CONECT    9    4   10   49   65                                       
CONECT   10   40   40    9   34                                       
CONECT   11   34   12   66   67                                       
CONECT   12   11   13   68   69                                       
CONECT   13   12   35   41   41                                       
CONECT   14   35   16   70   71                                       
CONECT   15    4   72   73   74                                       
CONECT   16   60   14   75   76                                       
CONECT   17   60   42   42   18                                       
CONECT   18   17   19   77   78                                       
CONECT   19   20   18   22   48                                       
CONECT   20   21   19   79   80                                       
CONECT   21   43   43   20   44                                       
CONECT   22   45   45   19   46                                       
CONECT   23    3    4   81   82                                       
CONECT   24   53   25   83   84                                       
CONECT   25   26   24   54   85                                       
CONECT   26   56   27   25   86                                       
CONECT   27   26   55   28   87                                       
CONECT   28   27   54    1   88                                       
CONECT   29    1   30   30   89                                       
CONECT   30   29   29    5                                            
CONECT   31    6    6    7                                            
CONECT   32    7    7    8                                            
CONECT   33    8   90   91                                            
CONECT   34   10   11   92                                            
CONECT   35   13   14   93                                            
CONECT   36   57   94                                                 
CONECT   37   59   95                                                 
CONECT   38   59   96                                                 
CONECT   39   59   59                                                 
CONECT   40   10   10                                                 
CONECT   41   13   13                                                 
CONECT   42   17   17                                                 
CONECT   43   21   21                                                 
CONECT   44   21   97                                                 
CONECT   45   22   22                                                 
CONECT   46   22   98                                                 
CONECT   47   57   57                                                 
CONECT   48   19   99                                                 
CONECT   49    9  100                                                 
CONECT   50   58   57                                                 
CONECT   51   58  101                                                 
CONECT   52   58   58                                                 
CONECT   53   58   24                                                 
CONECT   54   25   28                                                 
CONECT   55   27  102                                                 
CONECT   56   59   26                                                 
CONECT   57   47   47   50    3                                       
CONECT   57   36                                                      
CONECT   58   52   52   51   53                                       
CONECT   58   50                                                      
CONECT   59   39   39   37   38                                       
CONECT   59   56                                                      
CONECT   60   16   17                                                 
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    2                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   44                                                      
CONECT   98   46                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   51                                                      
CONECT  102   55                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
