COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.779  -2.111  -3.190  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.594  -1.297  -2.803  1.00  0.00           C  
HETATM    3  N   UNL     1     -11.911  -1.537  -2.954  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.140  -0.045  -2.161  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.073   0.890  -1.710  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.642   2.056  -1.112  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.289   2.300  -0.958  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.776   0.205  -1.998  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.359   1.378  -1.403  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.887   1.652  -1.232  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.436   1.117   0.059  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.993   1.908   1.187  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.041   1.571   2.361  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.055   2.612   3.339  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.966   1.212   0.188  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.659   1.486   1.672  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.839   0.338   2.266  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.549   0.308   1.653  1.00  0.00           O  
HETATM   19  P   UNL     1      -1.421  -0.774   2.037  1.00  0.00           P  
HETATM   20  O   UNL     1      -1.973  -2.139   1.881  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.962  -0.552   3.564  1.00  0.00           O  
HETATM   22  C   UNL     1       0.017  -0.571   0.934  1.00  0.00           C  
HETATM   23  P   UNL     1       1.294  -1.796   1.370  1.00  0.00           P  
HETATM   24  O   UNL     1       0.694  -3.281   1.200  1.00  0.00           O  
HETATM   25  O   UNL     1       1.716  -1.592   2.773  1.00  0.00           O  
HETATM   26  O   UNL     1       2.564  -1.617   0.396  1.00  0.00           O  
HETATM   27  C   UNL     1       3.775  -2.361   0.550  1.00  0.00           C  
HETATM   28  C   UNL     1       4.770  -1.947  -0.536  1.00  0.00           C  
HETATM   29  C   UNL     1       6.054  -2.799  -0.442  1.00  0.00           C  
HETATM   30  O   UNL     1       6.017  -3.867  -1.391  1.00  0.00           O  
HETATM   31  C   UNL     1       7.189  -1.809  -0.785  1.00  0.00           C  
HETATM   32  O   UNL     1       7.889  -2.236  -1.956  1.00  0.00           O  
HETATM   33  C   UNL     1       6.456  -0.474  -1.046  1.00  0.00           C  
HETATM   34  O   UNL     1       5.210  -0.588  -0.323  1.00  0.00           O  
HETATM   35  N   UNL     1       7.243   0.649  -0.534  1.00  0.00           N  
HETATM   36  C   UNL     1       8.256   1.299  -1.194  1.00  0.00           C  
HETATM   37  C   UNL     1       8.711   2.298  -0.317  1.00  0.00           C  
HETATM   38  N   UNL     1       7.967   2.208   0.812  1.00  0.00           N  
HETATM   39  C   UNL     1       7.101   1.245   0.684  1.00  0.00           C  
HETATM   40  C   UNL     1       9.762   3.128  -0.745  1.00  0.00           C  
HETATM   41  N   UNL     1      10.253   4.128   0.075  1.00  0.00           N  
HETATM   42  N   UNL     1      10.273   2.928  -1.955  1.00  0.00           N  
HETATM   43  C   UNL     1       9.811   1.976  -2.744  1.00  0.00           C  
HETATM   44  N   UNL     1       8.830   1.175  -2.386  1.00  0.00           N  
HETATM   45  H   UNL     1     -12.209  -2.361  -3.371  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.561  -0.887  -2.645  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.129   0.701  -1.829  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.363   2.781  -0.762  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.958   3.215  -0.490  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.049  -0.516  -2.341  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.332   1.171  -2.038  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.712   2.727  -1.261  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.963   2.973   0.961  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.011   1.590   1.413  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.308   0.615   2.813  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.920   2.758   3.745  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.505   0.273  -0.119  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.591   2.031  -0.426  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.124   2.429   1.780  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.728   0.489   3.340  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.351  -0.606   2.083  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.589   0.323   3.739  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.294  -0.721  -0.099  1.00  0.00           H  
HETATM   64  H   UNL     1       0.424   0.434   1.049  1.00  0.00           H  
HETATM   65  H   UNL     1       0.397  -3.485   0.303  1.00  0.00           H  
HETATM   66  H   UNL     1       4.203  -2.158   1.532  1.00  0.00           H  
HETATM   67  H   UNL     1       3.561  -3.426   0.460  1.00  0.00           H  
HETATM   68  H   UNL     1       4.318  -2.049  -1.522  1.00  0.00           H  
HETATM   69  H   UNL     1       6.179  -3.191   0.568  1.00  0.00           H  
HETATM   70  H   UNL     1       6.800  -4.435  -1.375  1.00  0.00           H  
HETATM   71  H   UNL     1       7.876  -1.709   0.055  1.00  0.00           H  
HETATM   72  H   UNL     1       8.318  -3.097  -1.865  1.00  0.00           H  
HETATM   73  H   UNL     1       6.263  -0.349  -2.112  1.00  0.00           H  
HETATM   74  H   UNL     1       6.381   0.956   1.435  1.00  0.00           H  
HETATM   75  H   UNL     1       9.871   4.264   0.957  1.00  0.00           H  
HETATM   76  H   UNL     1      10.978   4.695  -0.232  1.00  0.00           H  
HETATM   77  H   UNL     1      10.255   1.849  -3.721  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   45   46                                            
CONECT    4    2    5    5    8                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7    7   48                                       
CONECT    7    6    6    9   49                                       
CONECT    8    4    9    9   50                                       
CONECT    9    7    8    8   10                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   15   12                                            
CONECT   12   11   13   53   54                                       
CONECT   13   12   16   14   55                                       
CONECT   14   13   56                                                 
CONECT   15   11   16   57   58                                       
CONECT   16   13   15   17   59                                       
CONECT   17   16   18   60   61                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   22                                       
CONECT   19   21                                                      
CONECT   20   19   19                                                 
CONECT   21   19   62                                                 
CONECT   22   19   23   63   64                                       
CONECT   23   22   25   25   26                                       
CONECT   23   24                                                      
CONECT   24   23   65                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   66   67                                       
CONECT   28   27   34   29   68                                       
CONECT   29   28   31   30   69                                       
CONECT   30   29   70                                                 
CONECT   31   29   33   32   71                                       
CONECT   32   31   72                                                 
CONECT   33   31   35   34   73                                       
CONECT   34   28   33                                                 
CONECT   35   33   36   39                                            
CONECT   36   35   37   37   44                                       
CONECT   37   36   36   40   38                                       
CONECT   38   37   39   39                                            
CONECT   39   35   38   38   74                                       
CONECT   40   37   41   42   42                                       
CONECT   41   40   75   76                                            
CONECT   42   40   40   43                                            
CONECT   43   42   44   44   77                                       
CONECT   44   36   43   43                                            
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
