COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.615   4.073  -2.425  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.207   3.107  -3.103  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.010  -2.055  -1.562  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.759   6.547   3.750  1.00  0.00           O  
HETATM    5  P   UNL     1      -1.855   6.010   2.235  1.00  0.00           P  
HETATM    6  O   UNL     1      -3.141   5.302   2.043  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.772   7.256   1.218  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.637   4.998   1.946  1.00  0.00           O  
HETATM    9  P   UNL     1      -0.367   3.447   2.283  1.00  0.00           P  
HETATM   10  O   UNL     1      -1.581   2.658   1.978  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.005   3.293   3.845  1.00  0.00           O  
HETATM   12  O   UNL     1       0.861   2.910   1.392  1.00  0.00           O  
HETATM   13  C   UNL     1       1.279   1.543   1.385  1.00  0.00           C  
HETATM   14  C   UNL     1       2.466   1.378   0.435  1.00  0.00           C  
HETATM   15  O   UNL     1       3.635   2.041   0.962  1.00  0.00           O  
HETATM   16  C   UNL     1       4.779   1.443   0.329  1.00  0.00           C  
HETATM   17  N   UNL     1       5.148   2.207  -0.864  1.00  0.00           N  
HETATM   18  C   UNL     1       6.382   2.232  -1.463  1.00  0.00           C  
HETATM   19  N   UNL     1       7.554   1.652  -1.222  1.00  0.00           N  
HETATM   20  C   UNL     1       8.589   1.881  -2.003  1.00  0.00           C  
HETATM   21  C   UNL     1       4.326   3.020  -1.588  1.00  0.00           C  
HETATM   22  N   UNL     1       4.982   3.541  -2.584  1.00  0.00           N  
HETATM   23  C   UNL     1       6.261   3.095  -2.565  1.00  0.00           C  
HETATM   24  C   UNL     1       7.395   3.310  -3.367  1.00  0.00           C  
HETATM   25  N   UNL     1       7.336   4.150  -4.466  1.00  0.00           N  
HETATM   26  N   UNL     1       8.523   2.684  -3.049  1.00  0.00           N  
HETATM   27  C   UNL     1       2.896  -0.109   0.354  1.00  0.00           C  
HETATM   28  O   UNL     1       2.778  -0.745   1.628  1.00  0.00           O  
HETATM   29  C   UNL     1       4.383   0.008  -0.069  1.00  0.00           C  
HETATM   30  O   UNL     1       5.181  -0.945   0.636  1.00  0.00           O  
HETATM   31  C   UNL     1       5.400  -2.163  -0.080  1.00  0.00           C  
HETATM   32  O   UNL     1       4.159  -2.872  -0.229  1.00  0.00           O  
HETATM   33  C   UNL     1       6.355  -3.074   0.715  1.00  0.00           C  
HETATM   34  O   UNL     1       6.771  -2.431   1.922  1.00  0.00           O  
HETATM   35  C   UNL     1       5.505  -4.328   1.035  1.00  0.00           C  
HETATM   36  O   UNL     1       5.762  -5.371   0.093  1.00  0.00           O  
HETATM   37  C   UNL     1       4.061  -3.788   0.882  1.00  0.00           C  
HETATM   38  C   UNL     1       3.092  -4.927   0.557  1.00  0.00           C  
HETATM   39  O   UNL     1       1.755  -4.424   0.537  1.00  0.00           O  
HETATM   40  P   UNL     1       0.474  -5.349   0.227  1.00  0.00           P  
HETATM   41  O   UNL     1       0.457  -6.497   1.161  1.00  0.00           O  
HETATM   42  O   UNL     1       0.556  -5.889  -1.287  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.871  -4.484   0.416  1.00  0.00           O  
HETATM   44  P   UNL     1      -2.417  -4.860   0.661  1.00  0.00           P  
HETATM   45  O   UNL     1      -2.644  -5.212   2.216  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.777  -6.033  -0.167  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.345  -3.610   0.253  1.00  0.00           O  
HETATM   48  C   UNL     1      -4.773  -3.665   0.258  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.338  -2.313  -0.179  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.882  -2.336  -0.137  1.00  0.00           C  
HETATM   51  O   UNL     1      -7.366  -3.674  -0.259  1.00  0.00           O  
HETATM   52  C   UNL     1      -7.304  -1.494  -1.363  1.00  0.00           C  
HETATM   53  O   UNL     1      -8.061  -2.288  -2.279  1.00  0.00           O  
HETATM   54  C   UNL     1      -5.964  -1.063  -2.000  1.00  0.00           C  
HETATM   55  N   UNL     1      -5.576   0.266  -1.521  1.00  0.00           N  
HETATM   56  C   UNL     1      -6.061   1.467  -1.973  1.00  0.00           C  
HETATM   57  N   UNL     1      -6.947   1.834  -2.893  1.00  0.00           N  
HETATM   58  C   UNL     1      -4.666   0.536  -0.542  1.00  0.00           C  
HETATM   59  N   UNL     1      -4.566   1.822  -0.370  1.00  0.00           N  
HETATM   60  C   UNL     1      -5.403   2.457  -1.225  1.00  0.00           C  
HETATM   61  C   UNL     1      -5.715   3.802  -1.485  1.00  0.00           C  
HETATM   62  N   UNL     1      -5.099   4.821  -0.780  1.00  0.00           N  
HETATM   63  H   UNL     1      -7.933   3.371  -3.858  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.941   7.022   3.947  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.477   7.907   1.335  1.00  0.00           H  
HETATM   66  H   UNL     1       0.781   3.786   4.117  1.00  0.00           H  
HETATM   67  H   UNL     1       1.575   1.249   2.392  1.00  0.00           H  
HETATM   68  H   UNL     1       0.455   0.914   1.050  1.00  0.00           H  
HETATM   69  H   UNL     1       2.221   1.761  -0.555  1.00  0.00           H  
HETATM   70  H   UNL     1       5.615   1.416   1.028  1.00  0.00           H  
HETATM   71  H   UNL     1       9.526   1.395  -1.779  1.00  0.00           H  
HETATM   72  H   UNL     1       3.285   3.203  -1.367  1.00  0.00           H  
HETATM   73  H   UNL     1       6.505   4.598  -4.690  1.00  0.00           H  
HETATM   74  H   UNL     1       8.125   4.290  -5.012  1.00  0.00           H  
HETATM   75  H   UNL     1       2.315  -0.641  -0.400  1.00  0.00           H  
HETATM   76  H   UNL     1       1.877  -0.760   1.978  1.00  0.00           H  
HETATM   77  H   UNL     1       4.483  -0.131  -1.145  1.00  0.00           H  
HETATM   78  H   UNL     1       5.823  -1.945  -1.061  1.00  0.00           H  
HETATM   79  H   UNL     1       7.221  -3.341   0.109  1.00  0.00           H  
HETATM   80  H   UNL     1       7.258  -1.607   1.781  1.00  0.00           H  
HETATM   81  H   UNL     1       5.687  -4.672   2.053  1.00  0.00           H  
HETATM   82  H   UNL     1       6.679  -5.680   0.088  1.00  0.00           H  
HETATM   83  H   UNL     1       3.749  -3.264   1.786  1.00  0.00           H  
HETATM   84  H   UNL     1       3.337  -5.346  -0.419  1.00  0.00           H  
HETATM   85  H   UNL     1       3.176  -5.704   1.317  1.00  0.00           H  
HETATM   86  H   UNL     1       0.570  -5.189  -1.954  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.428  -4.487   2.819  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.109  -4.440  -0.432  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.124  -3.898   1.264  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.951  -1.517   0.457  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.246  -1.881   0.784  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.330  -3.747  -0.238  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.876  -0.621  -1.049  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.912  -2.586  -1.929  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.043  -1.066  -3.088  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.110  -0.208   0.010  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.323   5.746  -0.970  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.444   4.611  -0.097  1.00  0.00           H  
CONECT    1    2    2   61                                            
CONECT    2    1    1   57   63                                       
CONECT    3   54   49                                                 
CONECT    4    5   64                                                 
CONECT    5    6    6    7    4                                       
CONECT    5    8                                                      
CONECT    6    5    5                                                 
CONECT    7    5   65                                                 
CONECT    8    5    9                                                 
CONECT    9   10   10    8   12                                       
CONECT    9   11                                                      
CONECT   10    9    9                                                 
CONECT   11    9   66                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   67   68                                       
CONECT   14   15   27   13   69                                       
CONECT   15   16   14                                                 
CONECT   16   17   29   15   70                                       
CONECT   17   18   21   16                                            
CONECT   18   23   23   19   17                                       
CONECT   19   20   20   18                                            
CONECT   20   26   19   19   71                                       
CONECT   21   22   22   17   72                                       
CONECT   22   23   21   21                                            
CONECT   23   24   22   18   18                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24   73   74                                            
CONECT   26   24   24   20                                            
CONECT   27   29   14   28   75                                       
CONECT   28   27   76                                                 
CONECT   29   16   30   27   77                                       
CONECT   30   31   29                                                 
CONECT   31   33   32   30   78                                       
CONECT   32   37   31                                                 
CONECT   33   35   34   31   79                                       
CONECT   34   33   80                                                 
CONECT   35   36   33   37   81                                       
CONECT   36   35   82                                                 
CONECT   37   35   38   32   83                                       
CONECT   38   37   39   84   85                                       
CONECT   39   38   40                                                 
CONECT   40   43   41   41   39                                       
CONECT   40   42                                                      
CONECT   41   40   40                                                 
CONECT   42   40   86                                                 
CONECT   43   44   40                                                 
CONECT   44   47   46   46   45                                       
CONECT   44   43                                                      
CONECT   45   44   87                                                 
CONECT   46   44   44                                                 
CONECT   47   48   44                                                 
CONECT   48   49   47   88   89                                       
CONECT   49   50    3   48   90                                       
CONECT   50   52   51   49   91                                       
CONECT   51   50   92                                                 
CONECT   52   53   54   50   93                                       
CONECT   53   52   94                                                 
CONECT   54   55   52    3   95                                       
CONECT   55   56   58   54                                            
CONECT   56   57   57   60   55                                       
CONECT   57    2   56   56                                            
CONECT   58   59   59   55   96                                       
CONECT   59   60   58   58                                            
CONECT   60   61   61   56   59                                       
CONECT   61    1   62   60   60                                       
CONECT   62   61   97   98                                            
CONECT   63    2                                                      
CONECT   64    4                                                      
CONECT   65    7                                                      
CONECT   66   11                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   16                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   42                                                      
CONECT   87   45                                                      
CONECT   88   48                                                      
CONECT   89   48                                                      
CONECT   90   49                                                      
CONECT   91   50                                                      
CONECT   92   51                                                      
CONECT   93   52                                                      
CONECT   94   53                                                      
CONECT   95   54                                                      
CONECT   96   58                                                      
CONECT   97   62                                                      
CONECT   98   62                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
