COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.203   0.683   5.385  1.00  0.00           N  
HETATM    2  C   UNL     1       0.938   1.985   7.356  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.014  -0.582   4.682  1.00  0.00           C  
HETATM    4  C   UNL     1       1.520   1.704   8.743  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.424  -1.096   4.982  1.00  0.00           C  
HETATM    6  C   UNL     1       1.749   3.027   9.478  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.454  -0.104   4.441  1.00  0.00           C  
HETATM    8  C   UNL     1       0.543   0.840   9.541  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.624  -2.457   4.312  1.00  0.00           C  
HETATM   10  C   UNL     1       0.714   0.682   6.633  1.00  0.00           C  
HETATM   11  C   UNL     1       0.135  -0.366   3.198  1.00  0.00           C  
HETATM   12  O   UNL     1       0.992  -0.367   7.173  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.093   0.724   2.719  1.00  0.00           O  
HETATM   14  N   UNL     1       0.524  -1.383   2.404  1.00  0.00           N  
HETATM   15  C   UNL     1       0.777  -1.146   0.981  1.00  0.00           C  
HETATM   16  C   UNL     1       1.846  -2.121   0.484  1.00  0.00           C  
HETATM   17  C   UNL     1       2.937  -1.355  -0.219  1.00  0.00           C  
HETATM   18  O   UNL     1       3.460  -0.396   0.307  1.00  0.00           O  
HETATM   19  N   UNL     1       3.325  -1.767  -1.467  1.00  0.00           N  
HETATM   20  C   UNL     1       4.418  -0.957  -2.063  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.495  -1.359   0.202  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.131  -2.384   0.326  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.919  -0.378  -0.645  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.167  -0.659  -1.387  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.363  -0.116  -0.603  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.661  -0.535  -1.298  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.783  -2.060  -1.274  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.853   0.083  -0.566  1.00  0.00           C  
HETATM   29  P   UNL     1      -2.079   0.154  -3.016  1.00  0.00           P  
HETATM   30  O   UNL     1      -1.621   1.686  -2.825  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.411   0.114  -3.660  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.011  -0.612  -3.943  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.035   0.353  -4.338  1.00  0.00           C  
HETATM   34  C   UNL     1       0.823  -0.219  -5.466  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.766   3.985  -5.237  1.00  0.00           C  
HETATM   36  C   UNL     1       2.275  -0.166  -5.069  1.00  0.00           C  
HETATM   37  C   UNL     1       3.222   0.286  -5.970  1.00  0.00           C  
HETATM   38  C   UNL     1       2.662  -0.568  -3.805  1.00  0.00           C  
HETATM   39  C   UNL     1       4.554   0.334  -5.607  1.00  0.00           C  
HETATM   40  C   UNL     1       4.941  -0.068  -4.342  1.00  0.00           C  
HETATM   41  C   UNL     1       3.995  -0.520  -3.441  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.730   1.601  -4.820  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.097   2.783  -4.772  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.858   1.536  -5.249  1.00  0.00           O  
HETATM   45  H   UNL     1      -0.018   1.523   4.953  1.00  0.00           H  
HETATM   46  H   UNL     1       1.635   2.601   6.788  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.010   2.511   7.460  1.00  0.00           H  
HETATM   48  H   UNL     1       0.718  -1.316   5.018  1.00  0.00           H  
HETATM   49  H   UNL     1       2.469   1.178   8.639  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.551  -1.200   6.060  1.00  0.00           H  
HETATM   51  H   UNL     1       2.163   2.827  10.465  1.00  0.00           H  
HETATM   52  H   UNL     1       2.445   3.643   8.909  1.00  0.00           H  
HETATM   53  H   UNL     1       0.800   3.553   9.581  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.458  -0.469   4.655  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.311   0.865   4.918  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.327   0.000   3.363  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.405   1.366   9.645  1.00  0.00           H  
HETATM   58  H   UNL     1       0.380  -0.102   9.018  1.00  0.00           H  
HETATM   59  H   UNL     1       0.957   0.640  10.529  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.438  -2.365   3.242  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.930  -3.179   4.741  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.648  -2.795   4.475  1.00  0.00           H  
HETATM   63  H   UNL     1       0.636  -2.272   2.776  1.00  0.00           H  
HETATM   64  H   UNL     1       1.123  -0.122   0.839  1.00  0.00           H  
HETATM   65  H   UNL     1       1.396  -2.831  -0.209  1.00  0.00           H  
HETATM   66  H   UNL     1       2.269  -2.659   1.332  1.00  0.00           H  
HETATM   67  H   UNL     1       2.921  -2.523  -1.922  1.00  0.00           H  
HETATM   68  H   UNL     1       5.324  -1.559  -2.132  1.00  0.00           H  
HETATM   69  H   UNL     1       4.604  -0.081  -1.442  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.432   0.453  -0.754  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.277  -1.735  -1.522  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.347  -0.519   0.409  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.308   0.971  -0.562  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.648  -0.187  -2.331  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.707  -2.358  -1.769  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.933  -2.500  -1.795  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.795  -2.407  -0.241  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.817  -0.194   0.487  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.813   1.168  -0.657  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.780  -0.284  -1.006  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.243   2.088  -2.203  1.00  0.00           H  
HETATM   82  H   UNL     1       0.599   0.598  -3.486  1.00  0.00           H  
HETATM   83  H   UNL     1       0.535  -1.254  -5.652  1.00  0.00           H  
HETATM   84  H   UNL     1       0.672   0.367  -6.372  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.100   4.840  -5.121  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.031   3.870  -6.288  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.671   4.147  -4.650  1.00  0.00           H  
HETATM   88  H   UNL     1       2.920   0.600  -6.958  1.00  0.00           H  
HETATM   89  H   UNL     1       1.923  -0.922  -3.101  1.00  0.00           H  
HETATM   90  H   UNL     1       5.294   0.687  -6.311  1.00  0.00           H  
HETATM   91  H   UNL     1       5.982  -0.030  -4.058  1.00  0.00           H  
CONECT    1    3   10   45                                            
CONECT    2    4   10   46   47                                       
CONECT    3    1    5   11   48                                       
CONECT    4    2    6    8   49                                       
CONECT    5    3    7    9   50                                       
CONECT    6    4   51   52   53                                       
CONECT    7    5   54   55   56                                       
CONECT    8    4   57   58   59                                       
CONECT    9    5   60   61   62                                       
CONECT   10    1    2   12   12                                       
CONECT   11    3   13   13   14                                       
CONECT   12   10   10                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   63                                            
CONECT   15   14   16   21   64                                       
CONECT   16   15   17   65   66                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   67                                            
CONECT   20   19   41   68   69                                       
CONECT   21   15   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   70                                            
CONECT   24   23   25   29   71                                       
CONECT   25   24   26   72   73                                       
CONECT   26   25   27   28   74                                       
CONECT   27   26   75   76   77                                       
CONECT   28   26   78   79   80                                       
CONECT   29   24   30   31   31                                       
CONECT   29   32                                                      
CONECT   30   29   81                                                 
CONECT   31   29   29                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   42   82                                       
CONECT   34   33   36   83   84                                       
CONECT   35   43   85   86   87                                       
CONECT   36   34   37   37   38                                       
CONECT   37   36   36   39   88                                       
CONECT   38   36   41   41   89                                       
CONECT   39   37   40   40   90                                       
CONECT   40   39   39   41   91                                       
CONECT   41   20   38   38   40                                       
CONECT   42   33   43   44   44                                       
CONECT   43   35   42                                                 
CONECT   44   42   42                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
