COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.715  -0.706  -2.904  1.00  0.00           N  
HETATM    2  C   UNL     1       2.575  -0.057  -3.305  1.00  0.00           C  
HETATM    3  N   UNL     1       1.629   0.176  -2.422  1.00  0.00           N  
HETATM    4  C   UNL     1       0.500   0.807  -2.768  1.00  0.00           C  
HETATM    5  C   UNL     1       0.318   1.227  -4.091  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.894   1.828  -4.158  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.454   1.803  -2.984  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.629   1.181  -2.092  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.902   0.956  -0.671  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.326   0.964  -0.425  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.467   1.234   0.987  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.868   1.767   1.290  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.832   0.741   1.044  1.00  0.00           O  
HETATM   14  P   UNL     1      -6.413   0.953   1.258  1.00  0.00           P  
HETATM   15  O   UNL     1      -6.714   1.203   2.820  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.865   2.125   0.476  1.00  0.00           O  
HETATM   17  O   UNL     1      -7.203  -0.359   0.763  1.00  0.00           O  
HETATM   18  P   UNL     1      -8.725  -0.651   0.328  1.00  0.00           P  
HETATM   19  O   UNL     1      -8.951  -0.167  -1.191  1.00  0.00           O  
HETATM   20  O   UNL     1      -9.644   0.087   1.223  1.00  0.00           O  
HETATM   21  O   UNL     1      -9.022  -2.230   0.438  1.00  0.00           O  
HETATM   22  P   UNL     1     -10.365  -3.117   0.450  1.00  0.00           P  
HETATM   23  O   UNL     1     -10.050  -4.558   1.096  1.00  0.00           O  
HETATM   24  O   UNL     1     -11.401  -2.432   1.255  1.00  0.00           O  
HETATM   25  O   UNL     1     -10.895  -3.309  -1.058  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.402   2.312   1.291  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.816   2.088   2.575  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.349   2.124   0.175  1.00  0.00           C  
HETATM   29  O   UNL     1       0.919   1.779   0.736  1.00  0.00           O  
HETATM   30  P   UNL     1       2.249   2.657   0.504  1.00  0.00           P  
HETATM   31  O   UNL     1       2.063   4.103   1.186  1.00  0.00           O  
HETATM   32  O   UNL     1       2.483   2.822  -0.948  1.00  0.00           O  
HETATM   33  O   UNL     1       3.509   1.907   1.168  1.00  0.00           O  
HETATM   34  C   UNL     1       4.852   2.382   1.042  1.00  0.00           C  
HETATM   35  C   UNL     1       5.797   1.439   1.790  1.00  0.00           C  
HETATM   36  O   UNL     1       5.887   0.170   1.106  1.00  0.00           O  
HETATM   37  C   UNL     1       7.118  -0.426   1.570  1.00  0.00           C  
HETATM   38  N   UNL     1       7.576  -1.449   0.627  1.00  0.00           N  
HETATM   39  C   UNL     1       7.258  -1.526  -0.696  1.00  0.00           C  
HETATM   40  N   UNL     1       7.840  -2.562  -1.229  1.00  0.00           N  
HETATM   41  C   UNL     1       8.561  -3.207  -0.283  1.00  0.00           C  
HETATM   42  C   UNL     1       9.379  -4.364  -0.280  1.00  0.00           C  
HETATM   43  O   UNL     1       9.551  -5.012  -1.298  1.00  0.00           O  
HETATM   44  N   UNL     1       9.964  -4.729   0.882  1.00  0.00           N  
HETATM   45  C   UNL     1       9.766  -4.001   2.010  1.00  0.00           C  
HETATM   46  N   UNL     1       9.016  -2.934   2.024  1.00  0.00           N  
HETATM   47  C   UNL     1       8.405  -2.499   0.913  1.00  0.00           C  
HETATM   48  C   UNL     1       8.126   0.744   1.626  1.00  0.00           C  
HETATM   49  O   UNL     1       8.990   0.606   2.755  1.00  0.00           O  
HETATM   50  C   UNL     1       7.237   1.999   1.774  1.00  0.00           C  
HETATM   51  O   UNL     1       7.526   2.675   2.999  1.00  0.00           O  
HETATM   52  C   UNL     1       1.344   0.969  -5.030  1.00  0.00           C  
HETATM   53  O   UNL     1       1.228   1.317  -6.193  1.00  0.00           O  
HETATM   54  N   UNL     1       2.458   0.333  -4.606  1.00  0.00           N  
HETATM   55  H   UNL     1       3.815  -0.986  -1.980  1.00  0.00           H  
HETATM   56  H   UNL     1       4.420  -0.889  -3.544  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.425   2.212  -2.750  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.467   0.010  -0.346  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.270   0.333   1.567  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.922   2.074   2.335  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.078   2.624   0.649  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.443   0.474   3.395  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.381  -0.610  -1.834  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.816  -5.147   1.136  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.266  -3.753  -1.643  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.841   3.308   1.240  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.445   2.134   3.307  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.268   3.027  -0.429  1.00  0.00           H  
HETATM   69  H   UNL     1       1.906   4.071   2.139  1.00  0.00           H  
HETATM   70  H   UNL     1       5.128   2.413  -0.011  1.00  0.00           H  
HETATM   71  H   UNL     1       4.925   3.382   1.468  1.00  0.00           H  
HETATM   72  H   UNL     1       5.457   1.297   2.816  1.00  0.00           H  
HETATM   73  H   UNL     1       6.981  -0.858   2.561  1.00  0.00           H  
HETATM   74  H   UNL     1       6.620  -0.832  -1.223  1.00  0.00           H  
HETATM   75  H   UNL     1      10.528  -5.518   0.911  1.00  0.00           H  
HETATM   76  H   UNL     1      10.244  -4.315   2.925  1.00  0.00           H  
HETATM   77  H   UNL     1       8.705   0.793   0.704  1.00  0.00           H  
HETATM   78  H   UNL     1       9.644   1.314   2.839  1.00  0.00           H  
HETATM   79  H   UNL     1       7.377   2.668   0.925  1.00  0.00           H  
HETATM   80  H   UNL     1       8.417   3.046   3.043  1.00  0.00           H  
HETATM   81  H   UNL     1       3.176   0.148  -5.231  1.00  0.00           H  
CONECT    1    2   55   56                                            
CONECT    2    1   54    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    8                                       
CONECT    5   52    4    4    6                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6    8   57                                       
CONECT    8    4    9    7                                            
CONECT    9   28    8   10   58                                       
CONECT   10    9   11                                                 
CONECT   11   26   12   10   59                                       
CONECT   12   13   11   60   61                                       
CONECT   13   14   12                                                 
CONECT   14   16   16   15   13                                       
CONECT   14   17                                                      
CONECT   15   14   62                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18                                                 
CONECT   18   20   20   17   19                                       
CONECT   18   21                                                      
CONECT   19   18   63                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   24   24   21   25                                       
CONECT   22   23                                                      
CONECT   23   22   64                                                 
CONECT   24   22   22                                                 
CONECT   25   22   65                                                 
CONECT   26   28   27   11   66                                       
CONECT   27   26   67                                                 
CONECT   28   29   26    9   68                                       
CONECT   29   30   28                                                 
CONECT   30   33   32   32   31                                       
CONECT   30   29                                                      
CONECT   31   30   69                                                 
CONECT   32   30   30                                                 
CONECT   33   34   30                                                 
CONECT   34   35   33   70   71                                       
CONECT   35   36   34   50   72                                       
CONECT   36   37   35                                                 
CONECT   37   36   38   48   73                                       
CONECT   38   37   47   39                                            
CONECT   39   38   40   40   74                                       
CONECT   40   41   39   39                                            
CONECT   41   47   47   42   40                                       
CONECT   42   44   41   43   43                                       
CONECT   43   42   42                                                 
CONECT   44   45   42   75                                            
CONECT   45   46   46   44   76                                       
CONECT   46   45   45   47                                            
CONECT   47   46   38   41   41                                       
CONECT   48   37   49   50   77                                       
CONECT   49   48   78                                                 
CONECT   50   35   48   51   79                                       
CONECT   51   50   80                                                 
CONECT   52   54   53   53    5                                       
CONECT   53   52   52                                                 
CONECT   54    2   52   81                                            
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   19                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   48                                                      
CONECT   78   49                                                      
CONECT   79   50                                                      
CONECT   80   51                                                      
CONECT   81   54                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
