COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.944  -6.844   0.646  1.00  0.00           C  
HETATM    2  C   UNL     1       2.553  -8.158   0.481  1.00  0.00           C  
HETATM    3  C   UNL     1       1.224  -8.462   0.250  1.00  0.00           C  
HETATM    4  C   UNL     1       0.282  -7.451   0.184  1.00  0.00           C  
HETATM    5  C   UNL     1       0.665  -6.135   0.349  1.00  0.00           C  
HETATM    6  C   UNL     1       2.000  -5.826   0.581  1.00  0.00           C  
HETATM    7  S   UNL     1       2.494  -4.148   0.791  1.00  0.00           S  
HETATM    8  C   UNL     1       2.984  -3.764  -0.857  1.00  0.00           C  
HETATM    9  N   UNL     1       2.865  -4.544  -1.909  1.00  0.00           N  
HETATM   10  N   UNL     1       3.319  -3.958  -2.958  1.00  0.00           N  
HETATM   11  N   UNL     1       3.754  -2.781  -2.660  1.00  0.00           N  
HETATM   12  N   UNL     1       3.548  -2.608  -1.280  1.00  0.00           N  
HETATM   13  C   UNL     1       3.875  -1.430  -0.473  1.00  0.00           C  
HETATM   14  C   UNL     1       5.342  -1.497  -0.045  1.00  0.00           C  
HETATM   15  C   UNL     1       5.568  -2.721   0.868  1.00  0.00           C  
HETATM   16  C   UNL     1       6.569  -2.186   1.925  1.00  0.00           C  
HETATM   17  C   UNL     1       6.095  -0.721   2.089  1.00  0.00           C  
HETATM   18  N   UNL     1       5.691  -0.301   0.735  1.00  0.00           N  
HETATM   19  C   UNL     1       5.648   0.970   0.287  1.00  0.00           C  
HETATM   20  O   UNL     1       5.215   1.207  -0.821  1.00  0.00           O  
HETATM   21  C   UNL     1       6.138   2.094   1.162  1.00  0.00           C  
HETATM   22  N   UNL     1       6.439   3.263   0.332  1.00  0.00           N  
HETATM   23  C   UNL     1       7.627   3.353  -0.299  1.00  0.00           C  
HETATM   24  O   UNL     1       8.410   2.428  -0.253  1.00  0.00           O  
HETATM   25  C   UNL     1       7.983   4.604  -1.061  1.00  0.00           C  
HETATM   26  C   UNL     1       6.956   4.834  -2.171  1.00  0.00           C  
HETATM   27  N   UNL     1       9.319   4.454  -1.652  1.00  0.00           N  
HETATM   28  C   UNL     1       9.947   5.763  -1.874  1.00  0.00           C  
HETATM   29  C   UNL     1       5.054   2.458   2.180  1.00  0.00           C  
HETATM   30  C   UNL     1       5.543   3.613   3.055  1.00  0.00           C  
HETATM   31  O   UNL     1       3.866   2.852   1.490  1.00  0.00           O  
HETATM   32  C   UNL     1       2.660   2.568   2.201  1.00  0.00           C  
HETATM   33  C   UNL     1       1.505   3.012   1.405  1.00  0.00           C  
HETATM   34  C   UNL     1       0.583   3.367   0.770  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.498   3.783   0.025  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.420   4.137  -0.610  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.575   4.582  -1.406  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.781   4.298  -0.695  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.972   4.597  -1.427  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.332   6.071  -1.234  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.118   3.721  -0.916  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.441   4.095   0.463  1.00  0.00           N  
HETATM   43  C   UNL     1      -5.515   3.960   1.433  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.440   3.459   1.179  1.00  0.00           O  
HETATM   45  C   UNL     1      -5.815   4.432   2.832  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.814   5.961   2.866  1.00  0.00           C  
HETATM   47  N   UNL     1      -4.789   3.921   3.751  1.00  0.00           N  
HETATM   48  C   UNL     1      -5.284   3.903   5.134  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.701   2.273  -0.960  1.00  0.00           C  
HETATM   50  O   UNL     1      -5.555   1.653   0.072  1.00  0.00           O  
HETATM   51  N   UNL     1      -5.492   1.668  -2.145  1.00  0.00           N  
HETATM   52  C   UNL     1      -5.539   2.323  -3.465  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.856   1.182  -4.464  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.050   0.004  -3.856  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.173   0.245  -2.337  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.849  -0.088  -1.645  1.00  0.00           C  
HETATM   57  N   UNL     1      -3.589  -1.526  -1.758  1.00  0.00           N  
HETATM   58  N   UNL     1      -2.969  -2.200  -2.824  1.00  0.00           N  
HETATM   59  N   UNL     1      -2.944  -3.450  -2.511  1.00  0.00           N  
HETATM   60  N   UNL     1      -3.482  -3.633  -1.360  1.00  0.00           N  
HETATM   61  C   UNL     1      -3.887  -2.489  -0.854  1.00  0.00           C  
HETATM   62  S   UNL     1      -4.674  -2.253   0.705  1.00  0.00           S  
HETATM   63  C   UNL     1      -4.626  -3.902   1.324  1.00  0.00           C  
HETATM   64  C   UNL     1      -4.251  -4.141   2.641  1.00  0.00           C  
HETATM   65  C   UNL     1      -4.214  -5.435   3.122  1.00  0.00           C  
HETATM   66  C   UNL     1      -4.550  -6.492   2.296  1.00  0.00           C  
HETATM   67  C   UNL     1      -4.923  -6.258   0.985  1.00  0.00           C  
HETATM   68  C   UNL     1      -4.968  -4.966   0.498  1.00  0.00           C  
HETATM   69  H   UNL     1       3.982  -6.608   0.831  1.00  0.00           H  
HETATM   70  H   UNL     1       3.286  -8.949   0.531  1.00  0.00           H  
HETATM   71  H   UNL     1       0.921  -9.490   0.120  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.756  -7.692   0.003  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.071  -5.347   0.297  1.00  0.00           H  
HETATM   74  H   UNL     1       3.709  -0.528  -1.062  1.00  0.00           H  
HETATM   75  H   UNL     1       3.239  -1.409   0.412  1.00  0.00           H  
HETATM   76  H   UNL     1       5.982  -1.568  -0.925  1.00  0.00           H  
HETATM   77  H   UNL     1       4.635  -3.027   1.340  1.00  0.00           H  
HETATM   78  H   UNL     1       6.005  -3.546   0.305  1.00  0.00           H  
HETATM   79  H   UNL     1       6.477  -2.734   2.863  1.00  0.00           H  
HETATM   80  H   UNL     1       7.592  -2.226   1.550  1.00  0.00           H  
HETATM   81  H   UNL     1       5.246  -0.671   2.771  1.00  0.00           H  
HETATM   82  H   UNL     1       6.911  -0.096   2.453  1.00  0.00           H  
HETATM   83  H   UNL     1       7.039   1.780   1.688  1.00  0.00           H  
HETATM   84  H   UNL     1       5.784   3.972   0.236  1.00  0.00           H  
HETATM   85  H   UNL     1       7.980   5.456  -0.381  1.00  0.00           H  
HETATM   86  H   UNL     1       5.965   4.946  -1.732  1.00  0.00           H  
HETATM   87  H   UNL     1       7.214   5.739  -2.722  1.00  0.00           H  
HETATM   88  H   UNL     1       6.959   3.982  -2.851  1.00  0.00           H  
HETATM   89  H   UNL     1       9.904   3.865  -1.079  1.00  0.00           H  
HETATM   90  H   UNL     1      10.935   5.623  -2.313  1.00  0.00           H  
HETATM   91  H   UNL     1       9.329   6.352  -2.552  1.00  0.00           H  
HETATM   92  H   UNL     1      10.043   6.286  -0.923  1.00  0.00           H  
HETATM   93  H   UNL     1       4.840   1.592   2.807  1.00  0.00           H  
HETATM   94  H   UNL     1       4.772   3.872   3.780  1.00  0.00           H  
HETATM   95  H   UNL     1       6.450   3.312   3.581  1.00  0.00           H  
HETATM   96  H   UNL     1       5.758   4.479   2.428  1.00  0.00           H  
HETATM   97  H   UNL     1       2.587   1.495   2.379  1.00  0.00           H  
HETATM   98  H   UNL     1       2.668   3.094   3.155  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.503   5.655  -1.584  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.583   4.056  -2.360  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.807   4.398  -2.486  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.497   6.270  -0.175  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.516   6.695  -1.597  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.240   6.299  -1.792  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.995   3.866  -1.547  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.322   4.439   0.678  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.794   4.062   3.138  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.835   6.331   2.560  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.575   6.340   2.184  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.031   6.303   3.878  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.474   3.005   3.468  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.505   3.521   5.794  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.552   4.915   5.438  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.162   3.260   5.198  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.327   3.076  -3.487  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.575   2.775  -3.699  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.923   0.960  -4.477  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.496   1.427  -5.463  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.495  -0.952  -4.134  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.006   0.049  -4.167  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.973  -0.372  -1.929  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.041   0.466  -2.121  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.909   0.189  -0.593  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.989  -3.316   3.286  1.00  0.00           H  
HETATM  125  H   UNL     1      -3.923  -5.622   4.145  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.520  -7.503   2.675  1.00  0.00           H  
HETATM  127  H   UNL     1      -5.184  -7.086   0.342  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.264  -4.784  -0.524  1.00  0.00           H  
CONECT    1    2    2    6   69                                       
CONECT    2    1    1    3   70                                       
CONECT    3    2    4    4   71                                       
CONECT    4    3    3    5   72                                       
CONECT    5    4    6    6   73                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   12                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11                                            
CONECT   11   10   10   12                                            
CONECT   12    8   11   13                                            
CONECT   13   12   14   74   75                                       
CONECT   14   13   15   18   76                                       
CONECT   15   14   16   77   78                                       
CONECT   16   15   17   79   80                                       
CONECT   17   16   18   81   82                                       
CONECT   18   14   17   19                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   29   83                                       
CONECT   22   21   23   84                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   27   85                                       
CONECT   26   25   86   87   88                                       
CONECT   27   25   28   89                                            
CONECT   28   27   90   91   92                                       
CONECT   29   21   30   31   93                                       
CONECT   30   29   94   95   96                                       
CONECT   31   29   32                                                 
CONECT   32   31   33   97   98                                       
CONECT   33   32   34   34   34                                       
CONECT   34   33   33   33   35                                       
CONECT   35   34   36   36   36                                       
CONECT   36   35   35   35   37                                       
CONECT   37   36   38   99  100                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   41  101                                       
CONECT   40   39  102  103  104                                       
CONECT   41   39   42   49  105                                       
CONECT   42   41   43  106                                            
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   47  107                                       
CONECT   46   45  108  109  110                                       
CONECT   47   45   48  111                                            
CONECT   48   47  112  113  114                                       
CONECT   49   41   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   55                                            
CONECT   52   51   53  115  116                                       
CONECT   53   52   54  117  118                                       
CONECT   54   53   55  119  120                                       
CONECT   55   51   54   56  121                                       
CONECT   56   55   57  122  123                                       
CONECT   57   56   58   61                                            
CONECT   58   57   59   59                                            
CONECT   59   58   58   60                                            
CONECT   60   59   61   61                                            
CONECT   61   57   60   60   62                                       
CONECT   62   61   63                                                 
CONECT   63   62   64   64   68                                       
CONECT   64   63   63   65  124                                       
CONECT   65   64   66   66  125                                       
CONECT   66   65   65   67  126                                       
CONECT   67   66   68   68  127                                       
CONECT   68   63   67   67  128                                       
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    3                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   48                                                      
CONECT  115   52                                                      
CONECT  116   52                                                      
CONECT  117   53                                                      
CONECT  118   53                                                      
CONECT  119   54                                                      
CONECT  120   54                                                      
CONECT  121   55                                                      
CONECT  122   56                                                      
CONECT  123   56                                                      
CONECT  124   64                                                      
CONECT  125   65                                                      
CONECT  126   66                                                      
CONECT  127   67                                                      
CONECT  128   68                                                      
MASTER        0    0    0    0    0    0    0    0  128    0  128    0
END
