COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.911  -0.671   1.579  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.935  -2.546   1.176  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.584  -1.341   1.859  1.00  0.00           C  
HETATM    4  N   UNL     1       8.223   4.315   1.654  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.600   1.924  -1.961  1.00  0.00           N  
HETATM    6  C   UNL     1       4.865   0.043  -3.132  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.866   4.381  -0.438  1.00  0.00           N  
HETATM    8  C   UNL     1       3.071  -1.482  -2.222  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.366   1.242   0.099  1.00  0.00           N  
HETATM   10  C   UNL     1       5.409   1.024  -0.970  1.00  0.00           C  
HETATM   11  O   UNL     1       1.969  -1.566  -1.317  1.00  0.00           O  
HETATM   12  C   UNL     1       5.981   0.810  -2.388  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.003   1.052  -1.202  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.382   2.726  -1.199  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.241   2.298   0.132  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.702   3.942   0.797  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.235   3.812  -1.459  1.00  0.00           C  
HETATM   18  C   UNL     1       7.004   1.990   0.526  1.00  0.00           C  
HETATM   19  C   UNL     1       8.017   1.899   1.491  1.00  0.00           C  
HETATM   20  C   UNL     1       8.622   3.043   2.051  1.00  0.00           C  
HETATM   21  C   UNL     1       9.614   2.885   2.997  1.00  0.00           C  
HETATM   22  C   UNL     1      10.020   1.618   3.401  1.00  0.00           C  
HETATM   23  C   UNL     1       9.453   0.495   2.875  1.00  0.00           C  
HETATM   24  C   UNL     1       8.441   0.612   1.912  1.00  0.00           C  
HETATM   25  C   UNL     1       7.822  -0.514   1.337  1.00  0.00           C  
HETATM   26  C   UNL     1       6.847  -0.319   0.407  1.00  0.00           C  
HETATM   27  C   UNL     1       3.749  -0.119  -2.076  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.014  -1.700   2.309  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.905   0.461   1.250  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.913   2.930   1.089  1.00  0.00           N  
HETATM   31  N   UNL     1      -8.414   4.277  -2.750  1.00  0.00           N  
HETATM   32  N   UNL     1       6.470   0.896   0.033  1.00  0.00           N1+
HETATM   33  O   UNL     1      -0.184  -2.562  -0.182  1.00  0.00           O  
HETATM   34  O   UNL     1       4.428  -0.029  -0.805  1.00  0.00           O  
HETATM   35  O   UNL     1       4.393   0.802  -4.247  1.00  0.00           O  
HETATM   36  O   UNL     1       6.233   2.066  -3.022  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.202  -3.742  -1.134  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.576  -2.240   0.860  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.691  -0.251   0.928  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.949  -0.198   2.440  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.142  -1.561   3.725  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.338  -4.548   1.097  1.00  0.00           O  
HETATM   43  O   UNL     1       1.890  -4.108  -0.651  1.00  0.00           O  
HETATM   44  O   UNL     1       0.477  -3.198  -2.534  1.00  0.00           O  
HETATM   45  P   UNL     1       1.026  -2.866  -1.200  1.00  0.00           P  
HETATM   46  P   UNL     1      -1.588  -3.283   0.132  1.00  0.00           P  
HETATM   47  H   UNL     1      -7.329  -1.097   0.667  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.968  -3.405   1.846  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.477  -2.780   0.259  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.989  -1.039   2.721  1.00  0.00           H  
HETATM   51  H   UNL     1       7.525   4.419   0.988  1.00  0.00           H  
HETATM   52  H   UNL     1       8.643   5.098   2.043  1.00  0.00           H  
HETATM   53  H   UNL     1       5.225  -0.932  -3.460  1.00  0.00           H  
HETATM   54  H   UNL     1       3.788  -2.271  -1.996  1.00  0.00           H  
HETATM   55  H   UNL     1       2.711  -1.601  -3.244  1.00  0.00           H  
HETATM   56  H   UNL     1       4.932   2.002  -0.896  1.00  0.00           H  
HETATM   57  H   UNL     1       6.892   0.213  -2.347  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.321   0.290  -1.550  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.234   4.434   1.598  1.00  0.00           H  
HETATM   60  H   UNL     1       6.660   2.958   0.193  1.00  0.00           H  
HETATM   61  H   UNL     1      10.081   3.758   3.430  1.00  0.00           H  
HETATM   62  H   UNL     1      10.799   1.521   4.143  1.00  0.00           H  
HETATM   63  H   UNL     1       9.781  -0.481   3.200  1.00  0.00           H  
HETATM   64  H   UNL     1       8.115  -1.512   1.627  1.00  0.00           H  
HETATM   65  H   UNL     1       6.368  -1.178  -0.039  1.00  0.00           H  
HETATM   66  H   UNL     1       3.015   0.682  -2.174  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.267  -2.714   2.000  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.757   1.107   2.115  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.006   5.028  -2.918  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.948   3.853  -3.488  1.00  0.00           H  
HETATM   71  H   UNL     1       5.062   0.959  -4.927  1.00  0.00           H  
HETATM   72  H   UNL     1       6.594   1.991  -3.916  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.552  -0.889   2.746  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.037  -1.718   4.056  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.937  -4.321   1.947  1.00  0.00           H  
HETATM   76  H   UNL     1       2.282  -3.961   0.221  1.00  0.00           H  
CONECT    1   40   29   28   47                                       
CONECT    2    3   38   48   49                                       
CONECT    3   39   28    2   50                                       
CONECT    4   20   51   52                                            
CONECT    5   14   13   13                                            
CONECT    6   12   27   35   53                                       
CONECT    7   17   17   16                                            
CONECT    8   11   27   54   55                                       
CONECT    9   15   13   29                                            
CONECT   10   32   12   34   56                                       
CONECT   11   45    8                                                 
CONECT   12   10   36    6   57                                       
CONECT   13    5    5    9   58                                       
CONECT   14   17    5   15   15                                       
CONECT   15   14   14   30    9                                       
CONECT   16    7   30   30   59                                       
CONECT   17   31    7    7   14                                       
CONECT   18   19   32   32   60                                       
CONECT   19   20   20   24   18                                       
CONECT   20   21    4   19   19                                       
CONECT   21   22   22   20   61                                       
CONECT   22   21   21   23   62                                       
CONECT   23   22   24   24   63                                       
CONECT   24   23   23   19   25                                       
CONECT   25   24   26   26   64                                       
CONECT   26   25   25   32   65                                       
CONECT   27   34    8    6   66                                       
CONECT   28    1   41    3   67                                       
CONECT   29    9    1   39   68                                       
CONECT   30   16   16   15                                            
CONECT   31   17   69   70                                            
CONECT   32   18   18   26   10                                       
CONECT   33   46   45                                                 
CONECT   34   10   27                                                 
CONECT   35    6   71                                                 
CONECT   36   12   72                                                 
CONECT   37   46   46                                                 
CONECT   38    2   46                                                 
CONECT   39   29    3                                                 
CONECT   40    1   73                                                 
CONECT   41   28   74                                                 
CONECT   42   46   75                                                 
CONECT   43   45   76                                                 
CONECT   44   45   45                                                 
CONECT   45   33   44   44   11                                       
CONECT   45   43                                                      
CONECT   46   38   37   37   42                                       
CONECT   46   33                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
