COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.730  -5.285   2.711  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.564  -5.486   2.467  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.926  -6.518   3.042  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.827  -4.583   1.511  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.778  -3.501   0.996  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.031  -2.585   0.026  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.919  -1.574  -0.455  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.317  -0.659  -1.373  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.310   0.133  -0.706  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.359   0.366  -1.873  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.867  -0.020  -3.151  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.564   1.686  -1.982  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.557   2.156  -3.331  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.136   1.303  -1.535  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.507   2.440  -0.727  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.149   2.114  -0.424  1.00  0.00           O  
HETATM   17  P   UNL     1      -3.181   3.087   0.418  1.00  0.00           P  
HETATM   18  O   UNL     1      -3.741   3.232   1.921  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.142   4.420  -0.225  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.697   2.466   0.456  1.00  0.00           O  
HETATM   21  P   UNL     1      -0.248   3.052   0.842  1.00  0.00           P  
HETATM   22  O   UNL     1       0.279   4.005  -0.344  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.350   3.835   2.094  1.00  0.00           O  
HETATM   24  O   UNL     1       0.785   1.836   1.052  1.00  0.00           O  
HETATM   25  C   UNL     1       2.128   2.024   1.504  1.00  0.00           C  
HETATM   26  C   UNL     1       2.831   0.668   1.594  1.00  0.00           C  
HETATM   27  C   UNL     1       4.244   0.848   2.182  1.00  0.00           C  
HETATM   28  O   UNL     1       4.381   0.100   3.392  1.00  0.00           O  
HETATM   29  O   UNL     1       2.983   0.108   0.279  1.00  0.00           O  
HETATM   30  C   UNL     1       4.228  -0.622   0.273  1.00  0.00           C  
HETATM   31  C   UNL     1       5.184   0.286   1.088  1.00  0.00           C  
HETATM   32  O   UNL     1       6.243  -0.478   1.669  1.00  0.00           O  
HETATM   33  P   UNL     1       7.799  -0.127   1.452  1.00  0.00           P  
HETATM   34  O   UNL     1       8.094  -0.067   0.003  1.00  0.00           O  
HETATM   35  O   UNL     1       8.126   1.298   2.125  1.00  0.00           O  
HETATM   36  O   UNL     1       8.707  -1.266   2.138  1.00  0.00           O  
HETATM   37  N   UNL     1       4.720  -0.793  -1.096  1.00  0.00           N  
HETATM   38  C   UNL     1       5.576  -1.771  -1.535  1.00  0.00           C  
HETATM   39  N   UNL     1       6.201  -2.796  -0.965  1.00  0.00           N  
HETATM   40  C   UNL     1       6.983  -3.583  -1.674  1.00  0.00           C  
HETATM   41  N   UNL     1       7.189  -3.401  -2.966  1.00  0.00           N  
HETATM   42  C   UNL     1       6.607  -2.403  -3.622  1.00  0.00           C  
HETATM   43  N   UNL     1       6.828  -2.221  -4.976  1.00  0.00           N  
HETATM   44  C   UNL     1       5.762  -1.536  -2.908  1.00  0.00           C  
HETATM   45  N   UNL     1       5.023  -0.446  -3.230  1.00  0.00           N  
HETATM   46  C   UNL     1       4.407  -0.012  -2.169  1.00  0.00           C  
HETATM   47  H   UNL     1      -7.441  -7.071   3.645  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.989  -4.115   2.027  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.455  -5.170   0.671  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.617  -3.970   0.481  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.150  -2.915   1.837  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.192  -2.116   0.542  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.659  -3.171  -0.814  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.880  -1.199  -2.213  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.171   0.467  -1.153  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.375  -0.843  -3.141  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.983   2.440  -1.316  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.436   2.355  -3.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.518   1.065  -2.402  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.539   3.360  -1.310  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.064   2.577   0.200  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.794   2.396   2.403  1.00  0.00           H  
HETATM   63  H   UNL     1       0.370   3.557  -1.197  1.00  0.00           H  
HETATM   64  H   UNL     1       2.661   2.664   0.801  1.00  0.00           H  
HETATM   65  H   UNL     1       2.118   2.494   2.487  1.00  0.00           H  
HETATM   66  H   UNL     1       2.250  -0.009   2.220  1.00  0.00           H  
HETATM   67  H   UNL     1       4.451   1.903   2.361  1.00  0.00           H  
HETATM   68  H   UNL     1       3.774   0.372   4.093  1.00  0.00           H  
HETATM   69  H   UNL     1       4.108  -1.590   0.760  1.00  0.00           H  
HETATM   70  H   UNL     1       5.581   1.089   0.466  1.00  0.00           H  
HETATM   71  H   UNL     1       7.956   1.332   3.077  1.00  0.00           H  
HETATM   72  H   UNL     1       9.658  -1.119   2.046  1.00  0.00           H  
HETATM   73  H   UNL     1       7.476  -4.407  -1.180  1.00  0.00           H  
HETATM   74  H   UNL     1       7.413  -2.826  -5.457  1.00  0.00           H  
HETATM   75  H   UNL     1       6.397  -1.488  -5.443  1.00  0.00           H  
HETATM   76  H   UNL     1       3.747   0.842  -2.141  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   47                                                 
CONECT    4    2    5   48   49                                       
CONECT    5    6    4   50   51                                       
CONECT    6    7    5   52   53                                       
CONECT    7    8    6                                                 
CONECT    8   10    7    9   54                                       
CONECT    9    8   14                                                 
CONECT   10   11   12    8   55                                       
CONECT   11   10   56                                                 
CONECT   12   13   10   14   57                                       
CONECT   13   12   58                                                 
CONECT   14   12    9   15   59                                       
CONECT   15   14   16   60   61                                       
CONECT   16   17   15                                                 
CONECT   17   19   19   18   16                                       
CONECT   17   20                                                      
CONECT   18   17   62                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21                                                 
CONECT   21   20   23   23   24                                       
CONECT   21   22                                                      
CONECT   22   21   63                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21                                                 
CONECT   25   26   24   64   65                                       
CONECT   26   27   25   29   66                                       
CONECT   27   31   28   26   67                                       
CONECT   28   27   68                                                 
CONECT   29   30   26                                                 
CONECT   30   31   37   29   69                                       
CONECT   31   32   27   30   70                                       
CONECT   32   33   31                                                 
CONECT   33   34   34   36   35                                       
CONECT   33   32                                                      
CONECT   34   33   33                                                 
CONECT   35   33   71                                                 
CONECT   36   33   72                                                 
CONECT   37   30   46   38                                            
CONECT   38   37   44   44   39                                       
CONECT   39   38   40   40                                            
CONECT   40   39   39   41   73                                       
CONECT   41   42   42   40                                            
CONECT   42   44   43   41   41                                       
CONECT   43   42   74   75                                            
CONECT   44   45   38   38   42                                       
CONECT   45   46   46   44                                            
CONECT   46   37   45   45   76                                       
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   18                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   40                                                      
CONECT   74   43                                                      
CONECT   75   43                                                      
CONECT   76   46                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
