COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.029   0.103  -0.980  1.00  0.00           C  
HETATM    2  C   UNL     1       2.775   0.069  -0.104  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.346   2.145   1.643  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.301   0.894   2.400  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.997   1.338   1.139  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.789   0.289   0.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.485   0.733  -1.216  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.494   1.337  -3.581  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.022   0.015   3.389  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.794   0.927  -2.312  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.299   0.739  -2.303  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.468  -0.892  -2.679  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.434  -1.938  -1.827  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.932  -1.843  -1.955  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.814  -2.843  -1.252  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.043  -2.392   0.192  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.925  -3.392   0.896  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.310  -3.393   2.728  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.543  -3.914   2.035  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.337  -5.035   2.654  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.964  -0.704  -2.688  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.069   1.273   2.636  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.024   1.641   1.440  1.00  0.00           O  
HETATM   24  P   UNL     1      -0.967   2.330   0.440  1.00  0.00           P  
HETATM   25  O   UNL     1      -1.566   2.444  -0.909  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.589   3.796   0.986  1.00  0.00           O  
HETATM   27  O   UNL     1       0.364   1.427   0.361  1.00  0.00           O  
HETATM   28  P   UNL     1       1.623   1.376  -0.641  1.00  0.00           P  
HETATM   29  O   UNL     1       1.109   1.058  -2.133  1.00  0.00           O  
HETATM   30  O   UNL     1       2.318   2.683  -0.627  1.00  0.00           O  
HETATM   31  O   UNL     1       4.726   1.332  -0.767  1.00  0.00           O  
HETATM   32  C   UNL     1       5.127   1.548   0.588  1.00  0.00           C  
HETATM   33  C   UNL     1       5.835   2.900   0.701  1.00  0.00           C  
HETATM   34  O   UNL     1       4.909   3.948   0.409  1.00  0.00           O  
HETATM   35  C   UNL     1       6.083   0.433   1.020  1.00  0.00           C  
HETATM   36  O   UNL     1       6.440   0.615   2.391  1.00  0.00           O  
HETATM   37  C   UNL     1       5.388  -0.921   0.847  1.00  0.00           C  
HETATM   38  O   UNL     1       6.297  -1.971   1.180  1.00  0.00           O  
HETATM   39  C   UNL     1       4.940  -1.070  -0.611  1.00  0.00           C  
HETATM   40  N   UNL     1       4.208  -2.329  -0.772  1.00  0.00           N  
HETATM   41  C   UNL     1       4.880  -3.474  -1.003  1.00  0.00           C  
HETATM   42  C   UNL     1       4.127  -4.769  -1.169  1.00  0.00           C  
HETATM   43  O   UNL     1       6.090  -3.463  -1.078  1.00  0.00           O  
HETATM   44  H   UNL     1       3.742   0.025  -2.028  1.00  0.00           H  
HETATM   45  H   UNL     1       2.291  -0.903  -0.199  1.00  0.00           H  
HETATM   46  H   UNL     1       3.054   0.236   0.937  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.885   2.143   0.696  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.291   3.164   2.028  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.063   1.453   1.334  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.582   2.292   0.812  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.723   0.174  -0.150  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.204  -0.664   0.372  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.553   0.891  -1.216  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.540   2.425  -3.635  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.944   0.954  -4.440  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.505   0.930  -3.587  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.846  -1.032   3.140  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.651   0.217   4.393  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.091   0.223   3.348  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.842   1.421  -3.020  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.912   0.948  -1.306  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.839  -0.242  -3.269  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.104  -1.351  -0.970  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.146  -2.980  -1.686  1.00  0.00           H  
HETATM   65  H   UNL     1       0.034  -1.553  -2.733  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.771  -2.909  -1.768  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.330  -3.819  -1.255  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.086  -2.326   0.709  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.527  -1.416   0.196  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.871  -3.678   0.461  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.889  -2.570   2.149  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.575  -3.038   3.724  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.574  -4.193   2.810  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.955  -5.991   2.297  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.246  -4.990   3.739  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.386  -4.936   2.373  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.420  -1.386  -1.970  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.350  -0.913  -3.685  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.572   0.959   3.542  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.191   3.797   1.867  1.00  0.00           H  
HETATM   81  H   UNL     1       0.643   0.214  -2.217  1.00  0.00           H  
HETATM   82  H   UNL     1       4.248   1.543   1.232  1.00  0.00           H  
HETATM   83  H   UNL     1       6.219   3.025   1.713  1.00  0.00           H  
HETATM   84  H   UNL     1       6.662   2.937  -0.008  1.00  0.00           H  
HETATM   85  H   UNL     1       5.290   4.835   0.462  1.00  0.00           H  
HETATM   86  H   UNL     1       6.981   0.463   0.402  1.00  0.00           H  
HETATM   87  H   UNL     1       6.886   1.453   2.574  1.00  0.00           H  
HETATM   88  H   UNL     1       4.518  -0.970   1.502  1.00  0.00           H  
HETATM   89  H   UNL     1       6.625  -1.934   2.088  1.00  0.00           H  
HETATM   90  H   UNL     1       5.814  -1.071  -1.263  1.00  0.00           H  
HETATM   91  H   UNL     1       3.240  -2.338  -0.713  1.00  0.00           H  
HETATM   92  H   UNL     1       3.881  -4.915  -2.221  1.00  0.00           H  
HETATM   93  H   UNL     1       4.746  -5.596  -0.822  1.00  0.00           H  
HETATM   94  H   UNL     1       3.208  -4.733  -0.583  1.00  0.00           H  
CONECT    1   39   31    2   44                                       
CONECT    2    1   28   45   46                                       
CONECT    3   23   22   47   48                                       
CONECT    4   22   22    5    9                                       
CONECT    5    4    6   49   50                                       
CONECT    6    7    5   51   52                                       
CONECT    7   10   10    6   53                                       
CONECT    8   10   54   55   56                                       
CONECT    9    4   57   58   59                                       
CONECT   10    8    7    7   11                                       
CONECT   11   10   21   60   61                                       
CONECT   12   21   14   14   62                                       
CONECT   13   14   63   64   65                                       
CONECT   14   12   12   15   13                                       
CONECT   15   14   16   66   67                                       
CONECT   16   15   17   68   69                                       
CONECT   17   19   19   16   70                                       
CONECT   18   19   71   72   73                                       
CONECT   19   18   17   17   20                                       
CONECT   20   19   74   75   76                                       
CONECT   21   11   12   77   78                                       
CONECT   22    3    4    4   79                                       
CONECT   23   24    3                                                 
CONECT   24   25   25   27   26                                       
CONECT   24   23                                                      
CONECT   25   24   24                                                 
CONECT   26   24   80                                                 
CONECT   27   28   24                                                 
CONECT   28   30   30    2   27                                       
CONECT   28   29                                                      
CONECT   29   28   81                                                 
CONECT   30   28   28                                                 
CONECT   31    1   32                                                 
CONECT   32   33   31   35   82                                       
CONECT   33   34   32   83   84                                       
CONECT   34   33   85                                                 
CONECT   35   37   32   36   86                                       
CONECT   36   35   87                                                 
CONECT   37   39   38   35   88                                       
CONECT   38   37   89                                                 
CONECT   39   40    1   37   90                                       
CONECT   40   41   39   91                                            
CONECT   41   43   43   42   40                                       
CONECT   42   41   92   93   94                                       
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   26                                                      
CONECT   81   29                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
