COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.104  -6.939  -1.810  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.143  -5.777  -1.436  1.00  0.00           C  
HETATM    3  N   UNL     1     -10.701  -5.455  -0.250  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.738  -4.156   0.155  1.00  0.00           C  
HETATM    5  N   UNL     1     -11.309  -3.847   1.364  1.00  0.00           N  
HETATM    6  N   UNL     1     -10.238  -3.192  -0.584  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.669  -3.447  -1.774  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.603  -4.754  -2.229  1.00  0.00           C  
HETATM    9  N   UNL     1      -8.964  -4.790  -3.487  1.00  0.00           N  
HETATM   10  C   UNL     1      -8.704  -5.980  -4.301  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.610  -3.404  -3.821  1.00  0.00           C  
HETATM   12  N   UNL     1      -9.091  -2.592  -2.697  1.00  0.00           N  
HETATM   13  C   UNL     1      -8.967  -1.138  -2.568  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.325  -0.796  -1.320  1.00  0.00           O  
HETATM   15  C   UNL     1     -10.364  -0.484  -2.485  1.00  0.00           C  
HETATM   16  O   UNL     1     -10.756   0.026  -3.761  1.00  0.00           O  
HETATM   17  C   UNL     1     -10.180   0.670  -1.474  1.00  0.00           C  
HETATM   18  O   UNL     1     -10.451   1.928  -2.095  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.693   0.577  -1.066  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.526   0.907   0.418  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.136   0.930   0.748  1.00  0.00           O  
HETATM   22  P   UNL     1      -6.591   1.246   2.230  1.00  0.00           P  
HETATM   23  O   UNL     1      -7.063   0.080   3.235  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.135   2.543   2.690  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.983   1.316   2.207  1.00  0.00           O  
HETATM   26  P   UNL     1      -3.873   1.875   3.231  1.00  0.00           P  
HETATM   27  S   UNL     1      -4.029   0.840   5.075  1.00  0.00           S  
HETATM   28  O   UNL     1      -4.093   3.321   3.456  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.406   1.645   2.609  1.00  0.00           O  
HETATM   30  P   UNL     1      -0.913   1.970   3.117  1.00  0.00           P  
HETATM   31  O   UNL     1      -0.445   0.840   4.165  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.893   3.294   3.778  1.00  0.00           O  
HETATM   33  O   UNL     1       0.091   1.983   1.859  1.00  0.00           O  
HETATM   34  C   UNL     1       1.470   2.343   1.967  1.00  0.00           C  
HETATM   35  C   UNL     1       2.131   2.250   0.590  1.00  0.00           C  
HETATM   36  O   UNL     1       1.638   3.296  -0.276  1.00  0.00           O  
HETATM   37  C   UNL     1       3.649   2.514   0.703  1.00  0.00           C  
HETATM   38  O   UNL     1       4.370   1.281   0.732  1.00  0.00           O  
HETATM   39  C   UNL     1       3.988   3.310  -0.577  1.00  0.00           C  
HETATM   40  O   UNL     1       4.929   2.592  -1.378  1.00  0.00           O  
HETATM   41  C   UNL     1       2.635   3.432  -1.312  1.00  0.00           C  
HETATM   42  N   UNL     1       2.522   4.743  -1.958  1.00  0.00           N  
HETATM   43  C   UNL     1       1.976   5.866  -1.413  1.00  0.00           C  
HETATM   44  N   UNL     1       2.042   6.850  -2.263  1.00  0.00           N  
HETATM   45  C   UNL     1       2.632   6.421  -3.404  1.00  0.00           C  
HETATM   46  C   UNL     1       2.953   5.065  -3.221  1.00  0.00           C  
HETATM   47  N   UNL     1       3.553   4.404  -4.205  1.00  0.00           N  
HETATM   48  C   UNL     1       3.847   5.008  -5.337  1.00  0.00           C  
HETATM   49  N   UNL     1       3.569   6.280  -5.555  1.00  0.00           N  
HETATM   50  C   UNL     1       2.962   7.020  -4.632  1.00  0.00           C  
HETATM   51  N   UNL     1       2.676   8.353  -4.869  1.00  0.00           N  
HETATM   52  P   UNL     1       5.311   0.844   1.964  1.00  0.00           P  
HETATM   53  O   UNL     1       6.312   1.903   2.219  1.00  0.00           O  
HETATM   54  O   UNL     1       4.407   0.631   3.279  1.00  0.00           O  
HETATM   55  O   UNL     1       6.064  -0.532   1.602  1.00  0.00           O  
HETATM   56  O   UNL     1       7.860  -4.186   3.471  1.00  0.00           O  
HETATM   57  C   UNL     1       9.160  -3.295   0.416  1.00  0.00           C  
HETATM   58  C   UNL     1       9.611  -3.732   1.827  1.00  0.00           C  
HETATM   59  C   UNL     1       8.535  -3.143   2.765  1.00  0.00           C  
HETATM   60  C   UNL     1       7.561  -2.418   1.810  1.00  0.00           C  
HETATM   61  C   UNL     1       7.050  -1.126   2.449  1.00  0.00           C  
HETATM   62  O   UNL     1       8.347  -2.121   0.636  1.00  0.00           O  
HETATM   63  O   UNL     1       9.638  -5.158   1.924  1.00  0.00           O  
HETATM   64  N   UNL     1      10.323  -2.962  -0.411  1.00  0.00           N  
HETATM   65  H   UNL     1     -11.077  -6.149   0.313  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.681  -4.550   1.918  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.340  -2.925   1.663  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.084  -6.862  -3.787  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.205  -5.877  -5.264  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.631  -6.085  -4.460  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.530  -3.307  -3.931  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.405  -0.729  -3.408  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.100  -1.201  -2.119  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.626   0.447  -3.766  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.824   0.524  -0.607  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.356   2.016  -2.425  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.090   1.252  -1.674  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.965   1.884   0.625  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.029   0.149   1.018  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.742  -0.800   2.994  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.811  -0.440   4.723  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.433  -0.055   3.800  1.00  0.00           H  
HETATM   83  H   UNL     1       1.550   3.365   2.340  1.00  0.00           H  
HETATM   84  H   UNL     1       1.970   1.664   2.657  1.00  0.00           H  
HETATM   85  H   UNL     1       1.947   1.272   0.146  1.00  0.00           H  
HETATM   86  H   UNL     1       3.868   3.107   1.591  1.00  0.00           H  
HETATM   87  H   UNL     1       4.377   4.295  -0.322  1.00  0.00           H  
HETATM   88  H   UNL     1       5.178   3.046  -2.195  1.00  0.00           H  
HETATM   89  H   UNL     1       2.529   2.635  -2.048  1.00  0.00           H  
HETATM   90  H   UNL     1       1.552   5.931  -0.422  1.00  0.00           H  
HETATM   91  H   UNL     1       4.335   4.442  -6.117  1.00  0.00           H  
HETATM   92  H   UNL     1       2.242   8.885  -4.183  1.00  0.00           H  
HETATM   93  H   UNL     1       2.908   8.755  -5.720  1.00  0.00           H  
HETATM   94  H   UNL     1       3.727  -0.050   3.184  1.00  0.00           H  
HETATM   95  H   UNL     1       8.438  -4.712   4.041  1.00  0.00           H  
HETATM   96  H   UNL     1       8.572  -4.081  -0.057  1.00  0.00           H  
HETATM   97  H   UNL     1      10.591  -3.316   2.061  1.00  0.00           H  
HETATM   98  H   UNL     1       8.983  -2.437   3.464  1.00  0.00           H  
HETATM   99  H   UNL     1       6.725  -3.070   1.554  1.00  0.00           H  
HETATM  100  H   UNL     1       7.881  -0.433   2.581  1.00  0.00           H  
HETATM  101  H   UNL     1       6.607  -1.351   3.419  1.00  0.00           H  
HETATM  102  H   UNL     1       9.915  -5.488   2.790  1.00  0.00           H  
HETATM  103  C   UNL     1      11.277  -1.966  -0.211  1.00  0.00           C  
HETATM  104  N   UNL     1      12.437  -2.273  -0.742  1.00  0.00           N  
HETATM  105  C   UNL     1      12.302  -3.588  -1.328  1.00  0.00           C  
HETATM  106  C   UNL     1      10.774  -3.594  -1.644  1.00  0.00           C  
HETATM  107  N   UNL     1      10.454  -4.966  -1.958  1.00  0.00           N  
HETATM  108  C   UNL     1      11.299  -5.571  -2.764  1.00  0.00           C  
HETATM  109  N   UNL     1      12.400  -4.964  -3.250  1.00  0.00           N  
HETATM  110  C   UNL     1      12.972  -3.955  -2.605  1.00  0.00           C  
HETATM  111  N   UNL     1      14.075  -3.312  -3.070  1.00  0.00           N  
HETATM  112  H   UNL     1      11.083  -1.046   0.320  1.00  0.00           H  
HETATM  113  H   UNL     1      12.520  -4.347  -0.577  1.00  0.00           H  
HETATM  114  H   UNL     1      10.560  -2.946  -2.494  1.00  0.00           H  
HETATM  115  H   UNL     1      11.104  -6.595  -3.047  1.00  0.00           H  
HETATM  116  H   UNL     1      14.478  -3.585  -3.909  1.00  0.00           H  
HETATM  117  H   UNL     1      14.458  -2.579  -2.563  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.110  -3.099  -4.740  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    8                                       
CONECT    3    4    2   65                                            
CONECT    4    5    3    6    6                                       
CONECT    5    4   66   67                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   12                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   10   11                                            
CONECT   10    9   68   69   70                                       
CONECT   11    9   12   71  118                                       
CONECT   12    7   11   13                                            
CONECT   13   15   12   14   72                                       
CONECT   14   19   13                                                 
CONECT   15   17   16   13   73                                       
CONECT   16   15   74                                                 
CONECT   17   18   15   19   75                                       
CONECT   18   17   76                                                 
CONECT   19   17   20   14   77                                       
CONECT   20   21   19   78   79                                       
CONECT   21   20   22                                                 
CONECT   22   25   21   24   24                                       
CONECT   22   23                                                      
CONECT   23   22   80                                                 
CONECT   24   22   22                                                 
CONECT   25   26   22                                                 
CONECT   26   28   28   25   29                                       
CONECT   26   27                                                      
CONECT   27   26   81                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30                                                 
CONECT   30   33   32   32   29                                       
CONECT   30   31                                                      
CONECT   31   30   82                                                 
CONECT   32   30   30                                                 
CONECT   33   34   30                                                 
CONECT   34   35   33   83   84                                       
CONECT   35   37   36   34   85                                       
CONECT   36   35   41                                                 
CONECT   37   38   35   39   86                                       
CONECT   38   52   37                                                 
CONECT   39   37   41   40   87                                       
CONECT   40   39   88                                                 
CONECT   41   36   39   42   89                                       
CONECT   42   41   46   43                                            
CONECT   43   42   44   44   90                                       
CONECT   44   43   43   45                                            
CONECT   45   46   44   50   50                                       
CONECT   46   47   47   42   45                                       
CONECT   47   46   46   48                                            
CONECT   48   47   49   49   91                                       
CONECT   49   48   48   50                                            
CONECT   50   45   45   49   51                                       
CONECT   51   50   92   93                                            
CONECT   52   53   53   55   38                                       
CONECT   52   54                                                      
CONECT   53   52   52                                                 
CONECT   54   52   94                                                 
CONECT   55   61   52                                                 
CONECT   56   59   95                                                 
CONECT   57   58   64   62   96                                       
CONECT   58   63   59   57   97                                       
CONECT   59   56   58   60   98                                       
CONECT   60   59   61   62   99                                       
CONECT   61   60   55  100  101                                       
CONECT   62   60   57                                                 
CONECT   63   58  102                                                 
CONECT   64   57  106  103                                            
CONECT   65    3                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   13                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   23                                                      
CONECT   81   27                                                      
CONECT   82   31                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   43                                                      
CONECT   91   48                                                      
CONECT   92   51                                                      
CONECT   93   51                                                      
CONECT   94   54                                                      
CONECT   95   56                                                      
CONECT   96   57                                                      
CONECT   97   58                                                      
CONECT   98   59                                                      
CONECT   99   60                                                      
CONECT  100   61                                                      
CONECT  101   61                                                      
CONECT  102   63                                                      
CONECT  103  104  104   64  112                                       
CONECT  104  103  103  105                                            
CONECT  105  104  106  110  113                                       
CONECT  106  105   64  107  114                                       
CONECT  107  106  108  108                                            
CONECT  108  107  107  109  115                                       
CONECT  109  108  110  110                                            
CONECT  110  109  109  105  111                                       
CONECT  111  110  116  117                                            
CONECT  112  103                                                      
CONECT  113  105                                                      
CONECT  114  106                                                      
CONECT  115  108                                                      
CONECT  116  111                                                      
CONECT  117  111                                                      
CONECT  118   11                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
