COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.524   0.160   0.440  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.101   0.066   0.345  1.00  0.00           O  
HETATM    3  P   UNL     1      -1.104   1.125   1.035  1.00  0.00           P  
HETATM    4  C   UNL     1      -4.121   0.294  -0.962  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.607   1.472  -1.588  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.644   0.395  -0.860  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.995   1.540  -0.081  1.00  0.00           O  
HETATM    8  P   UNL     1      -6.886   2.752  -0.655  1.00  0.00           P  
HETATM    9  C   UNL     1      -6.195  -0.866  -0.190  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.617  -0.772  -0.094  1.00  0.00           O  
HETATM   11  P   UNL     1      -8.614  -1.831  -0.785  1.00  0.00           P  
HETATM   12  C   UNL     1      -5.597  -1.000   1.212  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.948   0.145   1.991  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.074  -1.100   1.110  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.516  -1.226   2.420  1.00  0.00           O  
HETATM   16  C   UNL     1       1.523   1.609   0.981  1.00  0.00           C  
HETATM   17  C   UNL     1       2.812   1.003   0.422  1.00  0.00           C  
HETATM   18  C   UNL     1       3.984   1.945   0.707  1.00  0.00           C  
HETATM   19  C   UNL     1       6.310   2.143   0.229  1.00  0.00           C  
HETATM   20  C   UNL     1       7.596   1.669  -0.399  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.448   2.493   0.585  1.00  0.00           O  
HETATM   22  C   UNL     1       8.717   2.657  -0.072  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.250   1.034   2.636  1.00  0.00           O  
HETATM   24  C   UNL     1      10.023   2.176  -0.709  1.00  0.00           C  
HETATM   25  O   UNL     1       0.413   0.788   0.614  1.00  0.00           O  
HETATM   26  C   UNL     1      11.144   3.164  -0.382  1.00  0.00           C  
HETATM   27  O   UNL     1       3.058  -0.281   1.054  1.00  0.00           O  
HETATM   28  C   UNL     1      12.449   2.684  -1.020  1.00  0.00           C  
HETATM   29  O   UNL     1       5.185   1.429   0.074  1.00  0.00           O  
HETATM   30  C   UNL     1      13.571   3.672  -0.693  1.00  0.00           C  
HETATM   31  O   UNL     1       6.293   3.166   0.872  1.00  0.00           O  
HETATM   32  C   UNL     1      14.876   3.191  -1.330  1.00  0.00           C  
HETATM   33  O   UNL     1       4.064  -0.946  -0.798  1.00  0.00           O  
HETATM   34  C   UNL     1       3.710  -1.202   0.329  1.00  0.00           C  
HETATM   35  C   UNL     1       4.001  -2.558   0.919  1.00  0.00           C  
HETATM   36  C   UNL     1       4.748  -3.412  -0.108  1.00  0.00           C  
HETATM   37  C   UNL     1       5.044  -4.788   0.492  1.00  0.00           C  
HETATM   38  C   UNL     1       5.791  -5.642  -0.535  1.00  0.00           C  
HETATM   39  C   UNL     1       6.086  -7.018   0.064  1.00  0.00           C  
HETATM   40  C   UNL     1       6.833  -7.872  -0.962  1.00  0.00           C  
HETATM   41  C   UNL     1       7.128  -9.248  -0.363  1.00  0.00           C  
HETATM   42  O   UNL     1      -7.192   3.801   0.528  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.085   3.495  -1.837  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.162   2.218  -1.183  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.469  -1.740  -2.386  1.00  0.00           O  
HETATM   46  O   UNL     1      -8.270  -3.198  -0.335  1.00  0.00           O  
HETATM   47  O   UNL     1     -10.131  -1.493  -0.364  1.00  0.00           O  
HETATM   48  H   UNL     1      -3.791   1.034   1.034  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.854  -0.579  -1.556  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.645   1.477  -1.686  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.070   0.491  -1.859  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.927  -1.739  -0.784  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.990  -1.898   1.690  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.602   0.128   2.894  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.807  -1.974   0.516  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.822  -2.005   2.904  1.00  0.00           H  
HETATM   57  H   UNL     1       1.590   1.665   2.067  1.00  0.00           H  
HETATM   58  H   UNL     1       1.385   2.610   0.573  1.00  0.00           H  
HETATM   59  H   UNL     1       2.711   0.864  -0.655  1.00  0.00           H  
HETATM   60  H   UNL     1       3.760   2.934   0.308  1.00  0.00           H  
HETATM   61  H   UNL     1       4.141   2.014   1.783  1.00  0.00           H  
HETATM   62  H   UNL     1       7.852   0.686  -0.004  1.00  0.00           H  
HETATM   63  H   UNL     1       7.471   1.606  -1.480  1.00  0.00           H  
HETATM   64  H   UNL     1       8.462   3.641  -0.466  1.00  0.00           H  
HETATM   65  H   UNL     1       8.843   2.720   1.009  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.039   0.164   3.001  1.00  0.00           H  
HETATM   67  H   UNL     1      10.278   1.193  -0.315  1.00  0.00           H  
HETATM   68  H   UNL     1       9.898   2.113  -1.790  1.00  0.00           H  
HETATM   69  H   UNL     1      10.888   4.148  -0.776  1.00  0.00           H  
HETATM   70  H   UNL     1      11.269   3.227   0.699  1.00  0.00           H  
HETATM   71  H   UNL     1      12.705   1.700  -0.626  1.00  0.00           H  
HETATM   72  H   UNL     1      12.324   2.621  -2.101  1.00  0.00           H  
HETATM   73  H   UNL     1      13.315   4.655  -1.087  1.00  0.00           H  
HETATM   74  H   UNL     1      13.696   3.735   0.388  1.00  0.00           H  
HETATM   75  H   UNL     1      14.751   3.128  -2.411  1.00  0.00           H  
HETATM   76  H   UNL     1      15.675   3.895  -1.097  1.00  0.00           H  
HETATM   77  H   UNL     1      15.132   2.207  -0.936  1.00  0.00           H  
HETATM   78  H   UNL     1       4.616  -2.442   1.811  1.00  0.00           H  
HETATM   79  H   UNL     1       3.064  -3.047   1.185  1.00  0.00           H  
HETATM   80  H   UNL     1       4.133  -3.529  -1.000  1.00  0.00           H  
HETATM   81  H   UNL     1       5.685  -2.923  -0.374  1.00  0.00           H  
HETATM   82  H   UNL     1       5.659  -4.672   1.384  1.00  0.00           H  
HETATM   83  H   UNL     1       4.107  -5.277   0.758  1.00  0.00           H  
HETATM   84  H   UNL     1       5.175  -5.759  -1.427  1.00  0.00           H  
HETATM   85  H   UNL     1       6.728  -5.153  -0.801  1.00  0.00           H  
HETATM   86  H   UNL     1       6.701  -6.902   0.956  1.00  0.00           H  
HETATM   87  H   UNL     1       5.149  -7.507   0.331  1.00  0.00           H  
HETATM   88  H   UNL     1       6.218  -7.989  -1.855  1.00  0.00           H  
HETATM   89  H   UNL     1       7.770  -7.383  -1.229  1.00  0.00           H  
HETATM   90  H   UNL     1       6.191  -9.737  -0.097  1.00  0.00           H  
HETATM   91  H   UNL     1       7.661  -9.856  -1.095  1.00  0.00           H  
HETATM   92  H   UNL     1       7.744  -9.132   0.529  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.726   4.558   0.253  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.237   3.870  -1.562  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.679  -0.870  -2.751  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.788  -2.093  -0.744  1.00  0.00           H  
CONECT    1   14    4    2   48                                       
CONECT    2    1    3                                                 
CONECT    3    2   25   21   21                                       
CONECT    3   23                                                      
CONECT    4    1    5    6   49                                       
CONECT    5    4   50                                                 
CONECT    6    4    9    7   51                                       
CONECT    7    6    8                                                 
CONECT    8    7   44   44   42                                       
CONECT    8   43                                                      
CONECT    9    6   10   12   52                                       
CONECT   10    9   11                                                 
CONECT   11   10   46   46   47                                       
CONECT   11   45                                                      
CONECT   12    9   13   14   53                                       
CONECT   13   12   54                                                 
CONECT   14    1   12   15   55                                       
CONECT   15   14   56                                                 
CONECT   16   25   17   57   58                                       
CONECT   17   16   27   18   59                                       
CONECT   18   17   29   60   61                                       
CONECT   19   29   20   31   31                                       
CONECT   20   19   22   62   63                                       
CONECT   21    3    3                                                 
CONECT   22   20   24   64   65                                       
CONECT   23    3   66                                                 
CONECT   24   22   26   67   68                                       
CONECT   25    3   16                                                 
CONECT   26   24   28   69   70                                       
CONECT   27   17   34                                                 
CONECT   28   26   30   71   72                                       
CONECT   29   18   19                                                 
CONECT   30   28   32   73   74                                       
CONECT   31   19   19                                                 
CONECT   32   30   75   76   77                                       
CONECT   33   34   34                                                 
CONECT   34   27   33   33   35                                       
CONECT   35   34   36   78   79                                       
CONECT   36   35   37   80   81                                       
CONECT   37   36   38   82   83                                       
CONECT   38   37   39   84   85                                       
CONECT   39   38   40   86   87                                       
CONECT   40   39   41   88   89                                       
CONECT   41   40   90   91   92                                       
CONECT   42    8   93                                                 
CONECT   43    8   94                                                 
CONECT   44    8    8                                                 
CONECT   45   11   95                                                 
CONECT   46   11   11                                                 
CONECT   47   11   96                                                 
CONECT   48    1                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   45                                                      
CONECT   96   47                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
