COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.019  -1.659  -0.781  1.00  0.00           C  
HETATM    2  C   UNL     1       2.488  -1.888  -0.794  1.00  0.00           C  
HETATM    3  C   UNL     1       5.357  -1.114   1.298  1.00  0.00           C  
HETATM    4  C   UNL     1       7.420  -0.103   2.020  1.00  0.00           C  
HETATM    5  C   UNL     1       6.293  -1.677   3.436  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.655   0.239   0.546  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.399   0.916   1.724  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.434   1.519   2.414  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.725   1.444   1.927  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.982   0.767   0.749  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.947   0.165   0.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.526  -0.412  -0.210  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.348  -1.851   0.279  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.201  -2.512  -0.488  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.295  -2.366  -1.118  1.00  0.00           C  
HETATM   16  C   UNL     1       1.195  -2.526  -1.235  1.00  0.00           C  
HETATM   17  C   UNL     1       3.137  -2.102   0.373  1.00  0.00           C  
HETATM   18  C   UNL     1       4.288  -1.270   0.282  1.00  0.00           C  
HETATM   19  C   UNL     1       6.429  -0.247   1.063  1.00  0.00           C  
HETATM   20  C   UNL     1       7.349  -0.814   3.203  1.00  0.00           C  
HETATM   21  C   UNL     1       5.295  -1.826   2.494  1.00  0.00           C  
HETATM   22  C   UNL     1       0.070  -0.331  -1.491  1.00  0.00           C  
HETATM   23  C   UNL     1       1.193   1.763  -2.032  1.00  0.00           C  
HETATM   24  C   UNL     1       1.717   1.565  -3.431  1.00  0.00           C  
HETATM   25  C   UNL     1       2.119   2.713  -1.270  1.00  0.00           C  
HETATM   26  C   UNL     1       1.531   3.008   0.086  1.00  0.00           C  
HETATM   27  C   UNL     1       0.671   4.079   0.248  1.00  0.00           C  
HETATM   28  C   UNL     1       0.132   4.350   1.492  1.00  0.00           C  
HETATM   29  C   UNL     1       0.452   3.550   2.573  1.00  0.00           C  
HETATM   30  C   UNL     1       1.311   2.479   2.410  1.00  0.00           C  
HETATM   31  C   UNL     1       1.847   2.205   1.166  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.030  -3.894  -0.019  1.00  0.00           N  
HETATM   33  N   UNL     1       4.212  -0.670  -0.880  1.00  0.00           N  
HETATM   34  N   UNL     1       1.143   0.472  -1.342  1.00  0.00           N  
HETATM   35  N   UNL     1       1.850   2.622  -4.257  1.00  0.00           N  
HETATM   36  O   UNL     1      -2.348  -1.573   1.243  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.849  -0.065  -0.718  1.00  0.00           O  
HETATM   38  O   UNL     1       3.220  -1.003  -1.486  1.00  0.00           O  
HETATM   39  O   UNL     1       6.498   0.451  -0.100  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.853   0.016  -2.197  1.00  0.00           O  
HETATM   41  O   UNL     1       2.019   0.455  -3.814  1.00  0.00           O  
HETATM   42  P   UNL     1      -2.661  -1.579  -0.204  1.00  0.00           P  
HETATM   43  H   UNL     1       0.079  -1.498   0.295  1.00  0.00           H  
HETATM   44  H   UNL     1       8.248   0.568   1.843  1.00  0.00           H  
HETATM   45  H   UNL     1       6.244  -2.230   4.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.390   0.974   2.105  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.234   2.047   3.335  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.534   1.914   2.467  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.991   0.708   0.369  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.147  -0.364  -0.861  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.757  -0.416  -1.275  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.605   0.146  -0.040  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.117  -1.847   1.344  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.268  -2.409   0.109  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.432  -2.516  -1.554  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.484  -2.292  -2.189  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.226  -3.417  -0.834  1.00  0.00           H  
HETATM   58  H   UNL     1       1.109  -3.517  -0.790  1.00  0.00           H  
HETATM   59  H   UNL     1       1.185  -2.613  -2.321  1.00  0.00           H  
HETATM   60  H   UNL     1       2.848  -2.753   1.185  1.00  0.00           H  
HETATM   61  H   UNL     1       8.122  -0.696   3.948  1.00  0.00           H  
HETATM   62  H   UNL     1       4.468  -2.493   2.684  1.00  0.00           H  
HETATM   63  H   UNL     1       0.191   2.191  -2.076  1.00  0.00           H  
HETATM   64  H   UNL     1       3.097   2.247  -1.148  1.00  0.00           H  
HETATM   65  H   UNL     1       2.227   3.642  -1.829  1.00  0.00           H  
HETATM   66  H   UNL     1       0.421   4.703  -0.597  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.539   5.187   1.619  1.00  0.00           H  
HETATM   68  H   UNL     1       0.032   3.762   3.545  1.00  0.00           H  
HETATM   69  H   UNL     1       1.561   1.855   3.255  1.00  0.00           H  
HETATM   70  H   UNL     1       2.514   1.366   1.038  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.816  -3.916   0.967  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.847  -4.449  -0.224  1.00  0.00           H  
HETATM   73  H   UNL     1       1.881   0.195  -0.777  1.00  0.00           H  
HETATM   74  H   UNL     1       1.609   3.510  -3.950  1.00  0.00           H  
HETATM   75  H   UNL     1       2.188   2.494  -5.157  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.057   0.008  -1.660  1.00  0.00           H  
HETATM   77  H   UNL     1       6.971  -0.008  -0.807  1.00  0.00           H  
CONECT    1   16   15   22   43                                       
CONECT    2   16   17   17   38                                       
CONECT    3   19   18   21   21                                       
CONECT    4   19   19   20   44                                       
CONECT    5   20   20   21   45                                       
CONECT    6   11   12    7    7                                       
CONECT    7    6    6    8   46                                       
CONECT    8    9    9    7   47                                       
CONECT    9   10    8    8   48                                       
CONECT   10   11   11    9   49                                       
CONECT   11   10   10    6   50                                       
CONECT   12   13    6   51   52                                       
CONECT   13   14   12   53   54                                       
CONECT   14   32   42   13   55                                       
CONECT   15   42    1   56   57                                       
CONECT   16    2    1   58   59                                       
CONECT   17    2    2   18   60                                       
CONECT   18   17    3   33   33                                       
CONECT   19   39    4    4    3                                       
CONECT   20    4    5    5   61                                       
CONECT   21    3    3    5   62                                       
CONECT   22    1   34   40   40                                       
CONECT   23   34   25   24   63                                       
CONECT   24   41   41   23   35                                       
CONECT   25   26   23   64   65                                       
CONECT   26   27   25   31   31                                       
CONECT   27   28   28   26   66                                       
CONECT   28   27   27   29   67                                       
CONECT   29   28   30   30   68                                       
CONECT   30   29   29   31   69                                       
CONECT   31   26   26   30   70                                       
CONECT   32   14   71   72                                            
CONECT   33   18   18   38                                            
CONECT   34   22   23   73                                            
CONECT   35   24   74   75                                            
CONECT   36   42   42                                                 
CONECT   37   42   76                                                 
CONECT   38    2   33                                                 
CONECT   39   19   77                                                 
CONECT   40   22   22                                                 
CONECT   41   24   24                                                 
CONECT   42   37   36   36   14                                       
CONECT   42   15                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
