COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      13.239  -2.541  -2.089  1.00  0.00           N  
HETATM    2  C   UNL     1      12.026  -1.763  -2.377  1.00  0.00           C  
HETATM    3  C   UNL     1      11.269  -1.522  -1.097  1.00  0.00           C  
HETATM    4  O   UNL     1      11.836  -1.618  -0.029  1.00  0.00           O  
HETATM    5  C   UNL     1      12.417  -0.421  -2.999  1.00  0.00           C  
HETATM    6  C   UNL     1      13.076  -0.662  -4.359  1.00  0.00           C  
HETATM    7  S   UNL     1      13.539   0.929  -5.096  1.00  0.00           S  
HETATM    8  C   UNL     1      14.291   0.444  -6.674  1.00  0.00           C  
HETATM    9  N   UNL     1       9.961  -1.199  -1.138  1.00  0.00           N  
HETATM   10  C   UNL     1       9.224  -0.964   0.106  1.00  0.00           C  
HETATM   11  C   UNL     1       7.758  -1.229  -0.121  1.00  0.00           C  
HETATM   12  O   UNL     1       7.367  -1.579  -1.214  1.00  0.00           O  
HETATM   13  C   UNL     1       9.418   0.488   0.547  1.00  0.00           C  
HETATM   14  C   UNL     1      10.889   0.722   0.897  1.00  0.00           C  
HETATM   15  C   UNL     1      11.083   2.174   1.339  1.00  0.00           C  
HETATM   16  N   UNL     1      12.492   2.399   1.674  1.00  0.00           N  
HETATM   17  C   UNL     1      12.906   3.632   2.097  1.00  0.00           C  
HETATM   18  N   UNL     1      12.029   4.628   2.204  1.00  0.00           N  
HETATM   19  N   UNL     1      14.186   3.836   2.402  1.00  0.00           N1+
HETATM   20  N   UNL     1       6.881  -1.076   0.891  1.00  0.00           N  
HETATM   21  C   UNL     1       5.456  -1.333   0.671  1.00  0.00           C  
HETATM   22  C   UNL     1       4.644  -0.548   1.669  1.00  0.00           C  
HETATM   23  O   UNL     1       5.201   0.157   2.484  1.00  0.00           O  
HETATM   24  C   UNL     1       5.174  -2.827   0.846  1.00  0.00           C  
HETATM   25  O   UNL     1       5.421  -3.202   2.203  1.00  0.00           O  
HETATM   26  C   UNL     1       6.089  -3.631  -0.079  1.00  0.00           C  
HETATM   27  N   UNL     1       3.299  -0.629   1.655  1.00  0.00           N  
HETATM   28  C   UNL     1       2.509   0.134   2.625  1.00  0.00           C  
HETATM   29  C   UNL     1       1.043  -0.130   2.398  1.00  0.00           C  
HETATM   30  O   UNL     1       0.692  -0.882   1.514  1.00  0.00           O  
HETATM   31  N   UNL     1       0.122   0.469   3.179  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.305   0.297   2.892  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.715   1.249   1.798  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.897   1.997   1.307  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.118   0.589   4.155  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.803  -0.444   5.205  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.084  -1.384   4.936  1.00  0.00           O  
HETATM   38  N   UNL     1      -2.319  -0.325   6.444  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.992   1.269   1.366  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.391   2.194   0.303  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.867   2.480   0.414  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.521   1.961   1.294  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.094   1.565  -1.059  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.675   3.096  -1.432  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.460   3.311  -0.465  1.00  0.00           N  
HETATM   46  O   UNL     1      -7.126   2.448  -2.298  1.00  0.00           O  
HETATM   47  C   UNL     1      -6.870   3.672  -0.296  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.010   5.195  -0.292  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.325   5.760   0.925  1.00  0.00           C  
HETATM   50  O   UNL     1      -6.394   7.075   1.185  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.713   5.029   1.667  1.00  0.00           O  
HETATM   52  N   UNL     1      -9.007   3.301  -1.486  1.00  0.00           N  
HETATM   53  P   UNL     1      -9.883   2.674  -2.722  1.00  0.00           P  
HETATM   54  O   UNL     1     -11.308   3.038  -2.551  1.00  0.00           O  
HETATM   55  O   UNL     1      -9.342   3.266  -4.118  1.00  0.00           O  
HETATM   56  O   UNL     1      -9.736   1.071  -2.726  1.00  0.00           O  
HETATM   57  C   UNL     1     -10.399   0.226  -1.783  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.044  -1.235  -2.069  1.00  0.00           C  
HETATM   59  O   UNL     1      -8.647  -1.457  -1.811  1.00  0.00           O  
HETATM   60  C   UNL     1     -10.837  -2.161  -1.127  1.00  0.00           C  
HETATM   61  O   UNL     1     -11.665  -3.050  -1.880  1.00  0.00           O  
HETATM   62  C   UNL     1      -9.746  -2.951  -0.364  1.00  0.00           C  
HETATM   63  O   UNL     1     -10.117  -4.324  -0.222  1.00  0.00           O  
HETATM   64  C   UNL     1      -8.522  -2.803  -1.303  1.00  0.00           C  
HETATM   65  N   UNL     1      -7.274  -2.957  -0.552  1.00  0.00           N  
HETATM   66  C   UNL     1      -6.565  -1.958   0.047  1.00  0.00           C  
HETATM   67  N   UNL     1      -5.508  -2.450   0.627  1.00  0.00           N  
HETATM   68  C   UNL     1      -5.472  -3.790   0.437  1.00  0.00           C  
HETATM   69  C   UNL     1      -4.595  -4.819   0.821  1.00  0.00           C  
HETATM   70  N   UNL     1      -3.464  -4.544   1.568  1.00  0.00           N  
HETATM   71  N   UNL     1      -4.878  -6.064   0.449  1.00  0.00           N  
HETATM   72  C   UNL     1      -5.956  -6.336  -0.265  1.00  0.00           C  
HETATM   73  N   UNL     1      -6.804  -5.405  -0.646  1.00  0.00           N  
HETATM   74  C   UNL     1      -6.608  -4.133  -0.316  1.00  0.00           C  
HETATM   75  H   UNL     1      13.840  -2.049  -1.445  1.00  0.00           H  
HETATM   76  H   UNL     1      13.006  -3.458  -1.737  1.00  0.00           H  
HETATM   77  H   UNL     1      11.397  -2.317  -3.073  1.00  0.00           H  
HETATM   78  H   UNL     1      11.526   0.191  -3.131  1.00  0.00           H  
HETATM   79  H   UNL     1      13.118   0.094  -2.342  1.00  0.00           H  
HETATM   80  H   UNL     1      13.968  -1.275  -4.227  1.00  0.00           H  
HETATM   81  H   UNL     1      12.375  -1.177  -5.016  1.00  0.00           H  
HETATM   82  H   UNL     1      14.613   1.335  -7.213  1.00  0.00           H  
HETATM   83  H   UNL     1      15.153  -0.197  -6.485  1.00  0.00           H  
HETATM   84  H   UNL     1      13.560  -0.099  -7.274  1.00  0.00           H  
HETATM   85  H   UNL     1       9.507  -1.122  -1.992  1.00  0.00           H  
HETATM   86  H   UNL     1       9.598  -1.633   0.881  1.00  0.00           H  
HETATM   87  H   UNL     1       9.127   1.156  -0.263  1.00  0.00           H  
HETATM   88  H   UNL     1       8.800   0.687   1.423  1.00  0.00           H  
HETATM   89  H   UNL     1      11.181   0.054   1.708  1.00  0.00           H  
HETATM   90  H   UNL     1      11.507   0.523   0.022  1.00  0.00           H  
HETATM   91  H   UNL     1      10.792   2.842   0.529  1.00  0.00           H  
HETATM   92  H   UNL     1      10.465   2.374   2.214  1.00  0.00           H  
HETATM   93  H   UNL     1      13.130   1.673   1.596  1.00  0.00           H  
HETATM   94  H   UNL     1      11.097   4.480   1.983  1.00  0.00           H  
HETATM   95  H   UNL     1      12.323   5.503   2.505  1.00  0.00           H  
HETATM   96  H   UNL     1      14.480   4.710   2.702  1.00  0.00           H  
HETATM   97  H   UNL     1      14.825   3.110   2.324  1.00  0.00           H  
HETATM   98  H   UNL     1       7.194  -0.796   1.766  1.00  0.00           H  
HETATM   99  H   UNL     1       5.184  -1.028  -0.339  1.00  0.00           H  
HETATM  100  H   UNL     1       4.133  -3.032   0.596  1.00  0.00           H  
HETATM  101  H   UNL     1       5.262  -4.138   2.387  1.00  0.00           H  
HETATM  102  H   UNL     1       7.130  -3.425   0.171  1.00  0.00           H  
HETATM  103  H   UNL     1       5.888  -4.694   0.045  1.00  0.00           H  
HETATM  104  H   UNL     1       5.901  -3.344  -1.114  1.00  0.00           H  
HETATM  105  H   UNL     1       2.853  -1.193   1.004  1.00  0.00           H  
HETATM  106  H   UNL     1       2.782  -0.171   3.636  1.00  0.00           H  
HETATM  107  H   UNL     1       2.710   1.198   2.500  1.00  0.00           H  
HETATM  108  H   UNL     1       0.403   1.014   3.930  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.489  -0.728   2.570  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.861   1.579   4.531  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.181   0.554   3.918  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.894   0.427   6.660  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.116  -0.990   7.121  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.646   0.670   1.759  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.833   3.125   0.403  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.391   2.253  -1.850  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.027   1.358  -1.139  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.653   0.634  -1.159  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.954   3.671  -1.210  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.236   3.271   0.649  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.549   5.605  -1.191  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.066   5.463  -0.272  1.00  0.00           H  
HETATM  123  H   UNL     1      -5.938   7.390   1.978  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.446   3.819  -0.793  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.413   3.065  -4.297  1.00  0.00           H  
HETATM  126  H   UNL     1     -10.081   0.487  -0.774  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.477   0.361  -1.870  1.00  0.00           H  
HETATM  128  H   UNL     1     -10.271  -1.475  -3.108  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.441  -1.574  -0.435  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.187  -3.656  -1.337  1.00  0.00           H  
HETATM  131  H   UNL     1      -9.548  -2.501   0.608  1.00  0.00           H  
HETATM  132  H   UNL     1     -10.930  -4.462   0.283  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.573  -3.526  -2.117  1.00  0.00           H  
HETATM  134  H   UNL     1      -6.839  -0.914   0.041  1.00  0.00           H  
HETATM  135  H   UNL     1      -3.268  -3.632   1.834  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.866  -5.263   1.827  1.00  0.00           H  
HETATM  137  H   UNL     1      -6.148  -7.361  -0.545  1.00  0.00           H  
CONECT    1    2   75   76                                            
CONECT    2    1    3    5   77                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   78   79                                       
CONECT    6    5    7   80   81                                       
CONECT    7    6    8                                                 
CONECT    8    7   82   83   84                                       
CONECT    9   10   85    3                                            
CONECT   10    9   11   13   86                                       
CONECT   11   10   12   12   20                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   87   88                                       
CONECT   14   13   15   89   90                                       
CONECT   15   14   16   91   92                                       
CONECT   16   15   17   93                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17   94   95                                            
CONECT   19   17   17   96   97                                       
CONECT   20   21   98   11                                            
CONECT   21   20   22   24   99                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   26  100                                       
CONECT   25   24  101                                                 
CONECT   26   24  102  103  104                                       
CONECT   27   28  105   22                                            
CONECT   28   27   29  106  107                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   32  108   29                                            
CONECT   32   31   33   35  109                                       
CONECT   33   32   34   34   39                                       
CONECT   34   33   33                                                 
CONECT   35   32   36  110  111                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36  112  113                                            
CONECT   39   40  114   33                                            
CONECT   40   39   41   43  115                                       
CONECT   41   40   42   42   45                                       
CONECT   42   41   41                                                 
CONECT   43   40  116  117  118                                       
CONECT   44   47   46   46   52                                       
CONECT   45   47  119   41                                            
CONECT   46   44   44                                                 
CONECT   47   44   45   48  120                                       
CONECT   48   47   49  121  122                                       
CONECT   49   48   51   51   50                                       
CONECT   50   49  123                                                 
CONECT   51   49   49                                                 
CONECT   52   44  124   53                                            
CONECT   53   54   54   55   56                                       
CONECT   53   52                                                      
CONECT   54   53   53                                                 
CONECT   55   53  125                                                 
CONECT   56   53   57                                                 
CONECT   57   56   58  126  127                                       
CONECT   58   57   59   60  128                                       
CONECT   59   58   64                                                 
CONECT   60   58   61   62  129                                       
CONECT   61   60  130                                                 
CONECT   62   60   63   64  131                                       
CONECT   63   62  132                                                 
CONECT   64   59   62   65  133                                       
CONECT   65   64   66   74                                            
CONECT   66   65   67   67  134                                       
CONECT   67   66   66   68                                            
CONECT   68   67   69   74   74                                       
CONECT   69   68   70   71   71                                       
CONECT   70   69  135  136                                            
CONECT   71   69   69   72                                            
CONECT   72   71   73   73  137                                       
CONECT   73   72   72   74                                            
CONECT   74   65   68   68   73                                       
CONECT   75    1                                                      
CONECT   76    1                                                      
CONECT   77    2                                                      
CONECT   78    5                                                      
CONECT   79    5                                                      
CONECT   80    6                                                      
CONECT   81    6                                                      
CONECT   82    8                                                      
CONECT   83    8                                                      
CONECT   84    8                                                      
CONECT   85    9                                                      
CONECT   86   10                                                      
CONECT   87   13                                                      
CONECT   88   13                                                      
CONECT   89   14                                                      
CONECT   90   14                                                      
CONECT   91   15                                                      
CONECT   92   15                                                      
CONECT   93   16                                                      
CONECT   94   18                                                      
CONECT   95   18                                                      
CONECT   96   19                                                      
CONECT   97   19                                                      
CONECT   98   20                                                      
CONECT   99   21                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   26                                                      
CONECT  103   26                                                      
CONECT  104   26                                                      
CONECT  105   27                                                      
CONECT  106   28                                                      
CONECT  107   28                                                      
CONECT  108   31                                                      
CONECT  109   32                                                      
CONECT  110   35                                                      
CONECT  111   35                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   40                                                      
CONECT  116   43                                                      
CONECT  117   43                                                      
CONECT  118   43                                                      
CONECT  119   45                                                      
CONECT  120   47                                                      
CONECT  121   48                                                      
CONECT  122   48                                                      
CONECT  123   50                                                      
CONECT  124   52                                                      
CONECT  125   55                                                      
CONECT  126   57                                                      
CONECT  127   57                                                      
CONECT  128   58                                                      
CONECT  129   60                                                      
CONECT  130   61                                                      
CONECT  131   62                                                      
CONECT  132   63                                                      
CONECT  133   64                                                      
CONECT  134   66                                                      
CONECT  135   70                                                      
CONECT  136   70                                                      
CONECT  137   72                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
