COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.022   4.087  -1.891  1.00  0.00           P  
HETATM    2  O   UNL     1       0.705   3.858  -3.235  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.924   5.337  -2.000  1.00  0.00           O1-
HETATM    4  O   UNL     1      -0.926   2.801  -1.543  1.00  0.00           O  
HETATM    5  O   UNL     1       1.065   4.310  -0.724  1.00  0.00           O  
HETATM    6  C   UNL     1       2.084   5.309  -0.790  1.00  0.00           C  
HETATM    7  C   UNL     1       2.941   5.249   0.476  1.00  0.00           C  
HETATM    8  O   UNL     1       3.671   4.011   0.513  1.00  0.00           O  
HETATM    9  C   UNL     1       3.975   6.391   0.464  1.00  0.00           C  
HETATM   10  O   UNL     1       3.789   7.246   1.593  1.00  0.00           O  
HETATM   11  C   UNL     1       5.341   5.667   0.550  1.00  0.00           C  
HETATM   12  O   UNL     1       6.230   6.360   1.429  1.00  0.00           O  
HETATM   13  C   UNL     1       4.942   4.290   1.140  1.00  0.00           C  
HETATM   14  N   UNL     1       5.930   3.270   0.780  1.00  0.00           N  
HETATM   15  C   UNL     1       6.170   2.977  -0.555  1.00  0.00           C  
HETATM   16  C   UNL     1       6.770   1.861  -0.905  1.00  0.00           C  
HETATM   17  C   UNL     1       7.217   0.850   0.111  1.00  0.00           C  
HETATM   18  C   UNL     1       7.247   1.451   1.488  1.00  0.00           C  
HETATM   19  C   UNL     1       6.617   2.610   1.760  1.00  0.00           C  
HETATM   20  C   UNL     1       7.955   0.789   2.518  1.00  0.00           C  
HETATM   21  O   UNL     1       7.988   1.266   3.638  1.00  0.00           O  
HETATM   22  N   UNL     1       8.595  -0.368   2.259  1.00  0.00           N  
HETATM   23  P   UNL     1      -1.862   1.823  -2.415  1.00  0.00           P  
HETATM   24  O   UNL     1      -2.650   2.654  -3.453  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.982   0.786  -3.148  1.00  0.00           O1-
HETATM   26  O   UNL     1      -2.894   1.060  -1.443  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.927   0.200  -1.927  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.721  -0.359  -0.744  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.434   0.704  -0.089  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.768  -1.371  -1.247  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.539  -2.657  -0.669  1.00  0.00           O1-
HETATM   32  C   UNL     1      -7.120  -0.792  -0.761  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.973  -1.829  -0.274  1.00  0.00           O1-
HETATM   34  C   UNL     1      -6.675   0.145   0.391  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.667   1.202   0.608  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.750   1.139   1.448  1.00  0.00           C  
HETATM   37  N   UNL     1      -9.246   0.223   2.273  1.00  0.00           N  
HETATM   38  C   UNL     1     -10.337   0.466   2.968  1.00  0.00           C  
HETATM   39  N   UNL     1     -10.988   1.612   2.888  1.00  0.00           N  
HETATM   40  C   UNL     1     -10.567   2.588   2.089  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.406   2.375   1.327  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.703   3.115   0.436  1.00  0.00           N  
HETATM   43  C   UNL     1      -7.680   2.430   0.016  1.00  0.00           C  
HETATM   44  N   UNL     1     -11.257   3.785   2.011  1.00  0.00           N  
HETATM   45  C   UNL     1       1.718  -4.059  -0.160  1.00  0.00           C  
HETATM   46  C   UNL     1       1.322  -4.656   1.166  1.00  0.00           C  
HETATM   47  N   UNL     1       0.021  -4.853   1.455  1.00  0.00           N  
HETATM   48  O   UNL     1       2.175  -4.958   1.974  1.00  0.00           O  
HETATM   49  C   UNL     1      -0.322  -5.517   2.693  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.383  -7.047   2.462  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.997  -4.377   0.498  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.135  -5.396   0.305  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.573  -6.795   0.249  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.566  -7.396   1.661  1.00  0.00           C  
HETATM   55  C   UNL     1       1.793  -5.149  -1.198  1.00  0.00           C  
HETATM   56  C   UNL     1       1.616  -4.843  -2.535  1.00  0.00           C  
HETATM   57  C   UNL     1       1.685  -5.843  -3.487  1.00  0.00           C  
HETATM   58  C   UNL     1       1.931  -7.148  -3.103  1.00  0.00           C  
HETATM   59  C   UNL     1       2.109  -7.453  -1.767  1.00  0.00           C  
HETATM   60  C   UNL     1       2.044  -6.453  -0.815  1.00  0.00           C  
HETATM   61  C   UNL     1       4.123  -4.175   0.225  1.00  0.00           C  
HETATM   62  N   UNL     1       5.323  -3.704   0.354  1.00  0.00           N  
HETATM   63  C   UNL     1       5.580  -2.372   0.237  1.00  0.00           C  
HETATM   64  C   UNL     1       4.451  -1.469  -0.044  1.00  0.00           C  
HETATM   65  C   UNL     1       3.120  -2.071  -0.178  1.00  0.00           C  
HETATM   66  N   UNL     1       3.027  -3.414  -0.034  1.00  0.00           N  
HETATM   67  S   UNL     1       1.739  -1.113  -0.504  1.00  0.00           S  
HETATM   68  C   UNL     1       4.968  -0.200  -0.113  1.00  0.00           C  
HETATM   69  N   UNL     1       6.291  -0.285   0.101  1.00  0.00           N  
HETATM   70  N   UNL     1       6.652  -1.620   0.314  1.00  0.00           N  
HETATM   71  H   UNL     1       2.712   5.131  -1.663  1.00  0.00           H  
HETATM   72  H   UNL     1       1.623   6.294  -0.870  1.00  0.00           H  
HETATM   73  H   UNL     1       2.305   5.331   1.357  1.00  0.00           H  
HETATM   74  H   UNL     1       3.902   6.962  -0.462  1.00  0.00           H  
HETATM   75  H   UNL     1       4.414   7.983   1.636  1.00  0.00           H  
HETATM   76  H   UNL     1       5.785   5.554  -0.438  1.00  0.00           H  
HETATM   77  H   UNL     1       6.438   7.261   1.149  1.00  0.00           H  
HETATM   78  H   UNL     1       4.830   4.354   2.222  1.00  0.00           H  
HETATM   79  H   UNL     1       5.860   3.677  -1.317  1.00  0.00           H  
HETATM   80  H   UNL     1       6.946   1.666  -1.953  1.00  0.00           H  
HETATM   81  H   UNL     1       8.216   0.499  -0.148  1.00  0.00           H  
HETATM   82  H   UNL     1       6.652   3.020   2.759  1.00  0.00           H  
HETATM   83  H   UNL     1       8.569  -0.748   1.367  1.00  0.00           H  
HETATM   84  H   UNL     1       9.081  -0.822   2.966  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.595   0.764  -2.578  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.483  -0.623  -2.487  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.045  -0.841  -0.038  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.747  -1.433  -2.335  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.609  -0.228  -1.554  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.512  -0.423   1.307  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.713  -0.300   3.630  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.949   2.782  -0.697  1.00  0.00           H  
HETATM   93  H   UNL     1     -12.057   3.920   2.543  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.940   4.490   1.425  1.00  0.00           H  
HETATM   95  H   UNL     1       0.975  -3.320  -0.462  1.00  0.00           H  
HETATM   96  H   UNL     1       0.434  -5.293   3.446  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.293  -5.163   3.038  1.00  0.00           H  
HETATM   98  H   UNL     1       0.517  -7.369   1.937  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.436  -7.555   3.425  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.418  -3.441   0.865  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.519  -4.194  -0.465  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.833  -5.320   1.139  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.660  -5.180  -0.625  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.191  -7.409  -0.407  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.554  -6.763  -0.137  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.619  -8.482   1.578  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.455  -7.049   2.187  1.00  0.00           H  
HETATM  108  H   UNL     1       1.423  -3.824  -2.835  1.00  0.00           H  
HETATM  109  H   UNL     1       1.546  -5.604  -4.531  1.00  0.00           H  
HETATM  110  H   UNL     1       1.984  -7.929  -3.847  1.00  0.00           H  
HETATM  111  H   UNL     1       2.301  -8.473  -1.467  1.00  0.00           H  
HETATM  112  H   UNL     1       2.187  -6.691   0.229  1.00  0.00           H  
HETATM  113  H   UNL     1       3.985  -5.242   0.325  1.00  0.00           H  
HETATM  114  H   UNL     1       4.411   0.705  -0.307  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    5                                                      
CONECT    2    1    1                                                 
CONECT    3    1                                                      
CONECT    4    1   23                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   71   72                                       
CONECT    7    6    8    9   73                                       
CONECT    8    7   13                                                 
CONECT    9    7   10   11   74                                       
CONECT   10    9   75                                                 
CONECT   11    9   12   13   76                                       
CONECT   12   11   77                                                 
CONECT   13    8   11   14   78                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16   16   79                                       
CONECT   16   15   15   17   80                                       
CONECT   17   16   18   69   81                                       
CONECT   18   17   19   19   20                                       
CONECT   19   14   18   18   82                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   83   84                                            
CONECT   23    4   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28   85   86                                       
CONECT   28   27   29   30   87                                       
CONECT   29   28   34                                                 
CONECT   30   28   31   32   88                                       
CONECT   31   30                                                      
CONECT   32   30   33   34   89                                       
CONECT   33   32                                                      
CONECT   34   29   32   35   90                                       
CONECT   35   34   36   43                                            
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38                                            
CONECT   38   37   39   39   91                                       
CONECT   39   38   38   40                                            
CONECT   40   39   41   41   44                                       
CONECT   41   36   40   40   42                                       
CONECT   42   41   43   43                                            
CONECT   43   35   42   42   92                                       
CONECT   44   40   93   94                                            
CONECT   45   46   55   66   95                                       
CONECT   46   45   47   48   48                                       
CONECT   47   46   49   51                                            
CONECT   48   46   46                                                 
CONECT   49   47   50   96   97                                       
CONECT   50   49   54   98   99                                       
CONECT   51   47   52  100  101                                       
CONECT   52   51   53  102  103                                       
CONECT   53   52   54  104  105                                       
CONECT   54   50   53  106  107                                       
CONECT   55   45   56   56   60                                       
CONECT   56   55   55   57  108                                       
CONECT   57   56   58   58  109                                       
CONECT   58   57   57   59  110                                       
CONECT   59   58   60   60  111                                       
CONECT   60   55   59   59  112                                       
CONECT   61   62   62   66  113                                       
CONECT   62   61   61   63                                            
CONECT   63   62   64   70   70                                       
CONECT   64   63   65   68   68                                       
CONECT   65   64   66   67   67                                       
CONECT   66   45   61   65                                            
CONECT   67   65   65                                                 
CONECT   68   64   64   69  114                                       
CONECT   69   17   68   70                                            
CONECT   70   63   63   69                                            
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    9                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   19                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   30                                                      
CONECT   89   32                                                      
CONECT   90   34                                                      
CONECT   91   38                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   53                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   54                                                      
CONECT  108   56                                                      
CONECT  109   57                                                      
CONECT  110   58                                                      
CONECT  111   59                                                      
CONECT  112   60                                                      
CONECT  113   61                                                      
CONECT  114   68                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
