COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.313  -1.359   1.162  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.232  -0.820   0.327  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.901  -1.211   0.915  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.826  -1.543   2.079  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.339   0.706   0.277  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.635   1.104  -0.432  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.740   2.606  -0.481  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.868   3.289   0.002  1.00  0.00           O  
HETATM    9  O   UNL     1      -9.802   3.186  -1.061  1.00  0.00           O  
HETATM   10  N   UNL     1      -4.793  -1.192   0.147  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.485  -1.481   0.740  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.440  -0.601   0.104  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.744   0.141  -0.805  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.130  -2.950   0.500  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.248  -3.266  -0.992  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.091  -3.842   1.289  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.162  -2.511  -1.761  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.167  -0.639   0.547  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.170   0.277  -0.011  1.00  0.00           C  
HETATM   20  C   UNL     1       1.205  -0.320   0.146  1.00  0.00           C  
HETATM   21  O   UNL     1       1.338  -1.405   0.672  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.233   1.613   0.732  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.566   2.269   0.474  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.662   2.099   1.214  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.772   2.806   0.784  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.576   3.550  -0.306  1.00  0.00           C  
HETATM   27  S   UNL     1      -1.911   3.381  -0.845  1.00  0.00           S  
HETATM   28  C   UNL     1       3.906  -1.170  -1.319  1.00  0.00           C  
HETATM   29  C   UNL     1       2.956  -2.338  -1.268  1.00  0.00           C  
HETATM   30  C   UNL     1       1.759  -2.383  -1.856  1.00  0.00           C  
HETATM   31  C   UNL     1       1.062  -3.564  -1.670  1.00  0.00           C  
HETATM   32  N   UNL     1       2.286   0.351  -0.299  1.00  0.00           N  
HETATM   33  C   UNL     1       3.622  -0.229  -0.146  1.00  0.00           C  
HETATM   34  S   UNL     1       3.257  -3.855  -0.429  1.00  0.00           S  
HETATM   35  C   UNL     1       1.691  -4.478  -0.931  1.00  0.00           C  
HETATM   36  C   UNL     1       4.665   0.890  -0.126  1.00  0.00           C  
HETATM   37  O   UNL     1       4.681   1.549  -1.394  1.00  0.00           O  
HETATM   38  C   UNL     1       6.046   0.295   0.158  1.00  0.00           C  
HETATM   39  N   UNL     1       7.027   1.379   0.296  1.00  0.00           N  
HETATM   40  CA  UNL     1       8.368   0.845   0.570  1.00  0.00           C  
HETATM   41  C   UNL     1       9.423   1.850   0.104  1.00  0.00           C  
HETATM   42  C   UNL     1       9.349   2.000  -1.417  1.00  0.00           C  
HETATM   43  C   UNL     1      10.404   3.005  -1.882  1.00  0.00           C  
HETATM   44  C   UNL     1       8.521   0.605   2.049  1.00  0.00           C  
HETATM   45  O   UNL     1       7.606   0.854   2.799  1.00  0.00           O  
HETATM   46  OXT UNL     1       9.672   0.115   2.535  1.00  0.00           O  
HETATM   47  H   UNL     1      -8.257  -1.000   2.103  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.216  -1.165   0.754  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.316  -1.223  -0.682  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.344   1.103   1.292  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.487   1.112  -0.268  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.630   0.706  -1.447  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.487   0.697   0.113  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.825   4.153  -1.068  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.862  -0.987  -0.799  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.521  -1.286   1.812  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.108  -3.135   0.831  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.124  -4.338  -1.147  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.229  -2.958  -1.352  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.098  -3.734   0.887  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.775  -4.882   1.202  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.084  -3.546   2.338  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.036  -2.960  -2.746  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.455  -1.467  -1.872  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.222  -2.568  -1.212  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.912  -1.274   1.235  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.377   0.440  -1.069  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.115   1.440   1.801  1.00  0.00           H  
HETATM   69  H   UNL     1       0.566   2.264   0.378  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.683   1.458   2.083  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.724   2.758   1.292  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.325   4.165  -0.782  1.00  0.00           H  
HETATM   73  H   UNL     1       4.932  -1.533  -1.253  1.00  0.00           H  
HETATM   74  H   UNL     1       3.770  -0.632  -2.257  1.00  0.00           H  
HETATM   75  H   UNL     1       1.365  -1.560  -2.434  1.00  0.00           H  
HETATM   76  H   UNL     1       0.082  -3.732  -2.092  1.00  0.00           H  
HETATM   77  H   UNL     1       2.179   1.219  -0.719  1.00  0.00           H  
HETATM   78  H   UNL     1       3.671  -0.789   0.788  1.00  0.00           H  
HETATM   79  H   UNL     1       1.301  -5.454  -0.682  1.00  0.00           H  
HETATM   80  H   UNL     1       4.412   1.608   0.654  1.00  0.00           H  
HETATM   81  H   UNL     1       4.900   0.969  -2.136  1.00  0.00           H  
HETATM   82  H   UNL     1       6.010  -0.282   1.082  1.00  0.00           H  
HETATM   83  H   UNL     1       6.337  -0.356  -0.667  1.00  0.00           H  
HETATM   84  H   UNL     1       7.033   1.968  -0.523  1.00  0.00           H  
HETATM   85  HA  UNL     1       8.500  -0.095   0.034  1.00  0.00           H  
HETATM   86  H   UNL     1       9.236   2.816   0.574  1.00  0.00           H  
HETATM   87  H   UNL     1      10.413   1.494   0.387  1.00  0.00           H  
HETATM   88  H   UNL     1       9.536   1.034  -1.886  1.00  0.00           H  
HETATM   89  H   UNL     1       8.358   2.355  -1.699  1.00  0.00           H  
HETATM   90  H   UNL     1      10.217   3.971  -1.413  1.00  0.00           H  
HETATM   91  H   UNL     1      11.395   2.649  -1.599  1.00  0.00           H  
HETATM   92  H   UNL     1      10.352   3.112  -2.966  1.00  0.00           H  
HETATM   93  HXT UNL     1       9.723  -0.022   3.490  1.00  0.00           H  
CONECT    1    2   47   48                                            
CONECT    2    1    3    5   49                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   50   51                                       
CONECT    6    5    7   52   53                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   54                                                 
CONECT   10   11   55    3                                            
CONECT   11   10   12   14   56                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   57                                       
CONECT   15   14   17   58   59                                       
CONECT   16   14   60   61   62                                       
CONECT   17   15   63   64   65                                       
CONECT   18   19   66   12                                            
CONECT   19   18   20   22   67                                       
CONECT   20   19   21   21   32                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   68   69                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   70                                       
CONECT   25   24   26   26   71                                       
CONECT   26   25   25   27   72                                       
CONECT   27   23   26                                                 
CONECT   28   33   29   73   74                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   75                                       
CONECT   31   30   35   35   76                                       
CONECT   32   33   77   20                                            
CONECT   33   28   32   36   78                                       
CONECT   34   29   35                                                 
CONECT   35   31   31   34   79                                       
CONECT   36   33   38   37   80                                       
CONECT   37   36   81                                                 
CONECT   38   36   39   82   83                                       
CONECT   39   38   40   84                                            
CONECT   40   39   41   44   85                                       
CONECT   41   40   42   86   87                                       
CONECT   42   41   43   88   89                                       
CONECT   43   42   90   91   92                                       
CONECT   44   40   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   93                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   46                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
