COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.563   9.754   8.944  1.00  0.00           O  
HETATM    2  P   UNL     1      -1.825   5.774  -0.765  1.00  0.00           P  
HETATM    3  N   UNL     1      -6.241  11.852   3.801  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.090  13.179   4.141  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.245  14.095   3.332  1.00  0.00           O  
HETATM    6  N   UNL     1      -5.720  13.399   5.454  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.405  12.413   6.368  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.806  12.674   7.408  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.651   9.952   6.878  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.475   7.489   7.259  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.503   6.182   6.776  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.762   5.948   5.435  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.019   7.020   4.582  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.487  10.186   8.253  1.00  0.00           C  
HETATM   15  P   UNL     1      -0.459   7.715   0.974  1.00  0.00           P  
HETATM   16  C   UNL     1      -6.621  10.961   8.894  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.685  10.002   9.417  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.882   9.144   2.885  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.118  10.774   4.665  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.344   9.458   4.212  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.463  13.424   8.649  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.750   8.691   0.998  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.652   8.879   6.338  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.273   4.342  -0.733  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.737   8.991   1.877  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.292  10.292   1.493  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.149  12.204   9.147  1.00  0.00           C  
HETATM   28  O   UNL     1       0.645   8.172   0.065  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.869   7.970   6.431  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.383   7.912   7.746  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.750   6.128  -1.921  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.156   8.205   0.618  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.622   6.910   0.995  1.00  0.00           O  
HETATM   34  N   UNL     1      -0.947  11.044   8.483  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.294   6.649   5.959  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.540   6.053   7.014  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.089   6.278   0.583  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.010   8.040  -0.398  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.562   7.715  -1.675  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.100  11.227   7.163  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.336   7.086   4.856  1.00  0.00           C  
HETATM   42  O   UNL     1       0.106   8.419   5.202  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.773  11.008   5.957  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.033   6.935   0.002  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.991   6.871  -0.967  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.419  12.408   6.511  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.995   7.141   3.484  1.00  0.00           C  
HETATM   48  O   UNL     1      -0.038   7.565   2.529  1.00  0.00           O  
HETATM   49  C   UNL     1      -5.697   8.586   6.405  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.602  13.535   7.306  1.00  0.00           C  
HETATM   51  N   UNL     1      -1.927  14.774   6.729  1.00  0.00           N  
HETATM   52  N   UNL     1      -1.491  12.210   5.155  1.00  0.00           N  
HETATM   53  C   UNL     1      -5.246   5.052   7.719  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.221  10.932   4.986  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.782   4.560   4.885  1.00  0.00           C  
HETATM   56  C   UNL     1      -6.017   8.353   5.046  1.00  0.00           C  
HETATM   57  N   UNL     1      -0.978  10.294   6.173  1.00  0.00           N  
HETATM   58  C   UNL     1      -7.120   9.042  10.466  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.840  10.806  10.017  1.00  0.00           C  
HETATM   60  H   UNL     1      -6.461  11.646   2.834  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.675  14.363   5.772  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.275   7.621   8.318  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.220   6.792   3.538  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.020  11.607   8.112  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.193  11.575   9.685  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.082   9.402   8.587  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.556   9.954   2.585  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.466   8.223   2.964  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.238   8.852   0.163  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.009   8.820   7.247  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.899   8.485   2.370  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.056  10.736   1.095  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.046  12.151  10.225  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.665   8.301   5.754  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.727   8.797   7.961  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.418   7.048  -1.995  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.979   8.726   0.113  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.381   7.051   1.582  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.058   5.930   5.645  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.196   5.217   6.667  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.470   8.986  -0.515  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.815   7.663  -2.290  1.00  0.00           H  
HETATM   83  H   UNL     1       0.553   6.445   4.807  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.570   7.142   0.973  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.530   5.961   0.030  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.828   7.849   3.487  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.366   6.152   3.197  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.981  14.855   5.731  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.009  15.584   7.314  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.186   4.710   8.166  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.775   4.206   7.205  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.566   5.356   8.524  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.188  10.416   4.036  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.785   4.276   4.531  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.102   3.836   5.646  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.488   4.475   4.049  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.711   9.596  11.318  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.318   8.424  10.049  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.897   8.374  10.851  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.491  11.423  10.852  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.278  11.475   9.269  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.632  10.147  10.389  1.00  0.00           H  
CONECT    1   14   14                                                 
CONECT    2   45   31   24   24                                       
CONECT    2   37                                                      
CONECT    3    4   60   19                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   61    7                                            
CONECT    7    6    8    8   43                                       
CONECT    8    7    7                                                 
CONECT    9   43   14   49                                            
CONECT   10   49   49   62   11                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11   13   55                                       
CONECT   13   12   56   56   63                                       
CONECT   14    1    1    9   16                                       
CONECT   15   37   22   28   28                                       
CONECT   15   48                                                      
CONECT   16   14   17   64   65                                       
CONECT   17   16   58   66   59                                       
CONECT   18   67   68   20   25                                       
CONECT   19    3   20   43   43                                       
CONECT   20   18   19   56                                            
CONECT   21   50   27   27                                            
CONECT   22   15   69                                                 
CONECT   23   42   70   29   57                                       
CONECT   24    2    2                                                 
CONECT   25   18   32   71   26                                       
CONECT   26   25   72                                                 
CONECT   27   21   21   34   73                                       
CONECT   28   15   15                                                 
CONECT   29   23   35   74   30                                       
CONECT   30   29   75                                                 
CONECT   31    2   76                                                 
CONECT   32   25   33   77   38                                       
CONECT   33   32   78                                                 
CONECT   34   27   40   40                                            
CONECT   35   29   41   79   36                                       
CONECT   36   35   80                                                 
CONECT   37   15    2                                                 
CONECT   38   32   44   81   39                                       
CONECT   39   38   82                                                 
CONECT   40   34   34   46   57                                       
CONECT   41   35   42   47   83                                       
CONECT   42   23   41                                                 
CONECT   43    9    7   19   19                                       
CONECT   44   38   84   85   45                                       
CONECT   45    2   44                                                 
CONECT   46   40   52   50   50                                       
CONECT   47   41   86   87   48                                       
CONECT   48   15   47                                                 
CONECT   49   10   10    9   56                                       
CONECT   50   21   46   46   51                                       
CONECT   51   50   88   89                                            
CONECT   52   46   54   54                                            
CONECT   53   11   90   91   92                                       
CONECT   54   52   52   93   57                                       
CONECT   55   12   94   95   96                                       
CONECT   56   13   13   20   49                                       
CONECT   57   40   23   54                                            
CONECT   58   17   97   98   99                                       
CONECT   59   17  100  101  102                                       
CONECT   60    3                                                      
CONECT   61    6                                                      
CONECT   62   10                                                      
CONECT   63   13                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   51                                                      
CONECT   89   51                                                      
CONECT   90   53                                                      
CONECT   91   53                                                      
CONECT   92   53                                                      
CONECT   93   54                                                      
CONECT   94   55                                                      
CONECT   95   55                                                      
CONECT   96   55                                                      
CONECT   97   58                                                      
CONECT   98   58                                                      
CONECT   99   58                                                      
CONECT  100   59                                                      
CONECT  101   59                                                      
CONECT  102   59                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
