COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.589  -0.316   0.073  1.00  0.00           C  
HETATM    2  O   UNL     1       7.404   0.330  -0.937  1.00  0.00           O  
HETATM    3  C   UNL     1       8.670   0.079   1.046  1.00  0.00           C  
HETATM    4  C   UNL     1       9.324   1.381   0.581  1.00  0.00           C  
HETATM    5  C   UNL     1       8.840   2.537   1.459  1.00  0.00           C  
HETATM    6  C   UNL     1       8.355   3.684   0.570  1.00  0.00           C  
HETATM    7  C   UNL     1       7.156   4.369   1.229  1.00  0.00           C  
HETATM    8  C   UNL     1       5.988   4.415   0.242  1.00  0.00           C  
HETATM    9  C   UNL     1       4.769   5.039   0.922  1.00  0.00           C  
HETATM   10  N   UNL     1       6.823  -1.410   0.344  1.00  0.00           N  
HETATM   11  C   UNL     1       5.775  -1.735  -0.645  1.00  0.00           C  
HETATM   12  C   UNL     1       5.524  -3.244  -0.652  1.00  0.00           C  
HETATM   13  C   UNL     1       6.816  -3.974  -1.022  1.00  0.00           C  
HETATM   14  C   UNL     1       5.067  -3.691   0.739  1.00  0.00           C  
HETATM   15  C   UNL     1       6.566  -5.483  -1.028  1.00  0.00           C  
HETATM   16  C   UNL     1       4.816  -5.200   0.732  1.00  0.00           C  
HETATM   17  C   UNL     1       6.108  -5.930   0.362  1.00  0.00           C  
HETATM   18  C   UNL     1       4.510  -1.010  -0.263  1.00  0.00           C  
HETATM   19  O   UNL     1       4.107  -1.059   0.880  1.00  0.00           O  
HETATM   20  N   UNL     1       3.825  -0.309  -1.187  1.00  0.00           N  
HETATM   21  C   UNL     1       2.611   0.418  -0.804  1.00  0.00           C  
HETATM   22  C   UNL     1       2.378   1.571  -1.783  1.00  0.00           C  
HETATM   23  C   UNL     1       2.368   2.877  -1.032  1.00  0.00           C  
HETATM   24  C   UNL     1       3.522   3.338  -0.427  1.00  0.00           C  
HETATM   25  C   UNL     1       1.202   3.617  -0.949  1.00  0.00           C  
HETATM   26  C   UNL     1       1.191   4.815  -0.261  1.00  0.00           C  
HETATM   27  C   UNL     1       2.346   5.275   0.344  1.00  0.00           C  
HETATM   28  C   UNL     1       3.511   4.537   0.261  1.00  0.00           C  
HETATM   29  C   UNL     1       1.432  -0.519  -0.841  1.00  0.00           C  
HETATM   30  O   UNL     1       1.494  -1.546  -1.482  1.00  0.00           O  
HETATM   31  N   UNL     1       0.308  -0.214  -0.163  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.839  -1.125  -0.199  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.664  -2.209   0.867  1.00  0.00           C  
HETATM   34  C   UNL     1       0.550  -3.073   0.521  1.00  0.00           C  
HETATM   35  C   UNL     1       0.726  -4.156   1.587  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.042   0.761   0.540  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.103  -0.352   0.074  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.491  -2.079  -0.699  1.00  0.00           O  
HETATM   39  N   UNL     1      -4.561  -0.269   0.013  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.864  -0.867  -0.286  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.958   0.105   0.076  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.676   1.190   0.538  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.430  -0.960  -0.231  1.00  0.00           C  
HETATM   44  N   UNL     1      -8.249  -0.232  -0.115  1.00  0.00           N  
HETATM   45  CA  UNL     1      -9.312   0.712   0.237  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.583  -0.045   0.523  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.934  -1.127  -0.263  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.399   0.344   1.568  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.098  -1.825   0.002  1.00  0.00           C  
HETATM   50  C   UNL     1     -12.565  -0.351   1.831  1.00  0.00           C  
HETATM   51  C   UNL     1     -12.914  -1.435   1.048  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.541   1.662  -0.910  1.00  0.00           C  
HETATM   53  O   UNL     1      -8.883   1.560  -1.919  1.00  0.00           O  
HETATM   54  OXT UNL     1     -10.475   2.621  -0.812  1.00  0.00           O  
HETATM   55  H   UNL     1       9.422  -0.709   1.093  1.00  0.00           H  
HETATM   56  H   UNL     1       8.234   0.224   2.034  1.00  0.00           H  
HETATM   57  H   UNL     1       9.052   1.574  -0.456  1.00  0.00           H  
HETATM   58  H   UNL     1      10.408   1.292   0.663  1.00  0.00           H  
HETATM   59  H   UNL     1       9.661   2.886   2.086  1.00  0.00           H  
HETATM   60  H   UNL     1       8.021   2.195   2.091  1.00  0.00           H  
HETATM   61  H   UNL     1       8.058   3.289  -0.402  1.00  0.00           H  
HETATM   62  H   UNL     1       9.159   4.407   0.438  1.00  0.00           H  
HETATM   63  H   UNL     1       7.430   5.384   1.516  1.00  0.00           H  
HETATM   64  H   UNL     1       6.860   3.808   2.116  1.00  0.00           H  
HETATM   65  H   UNL     1       5.745   3.402  -0.081  1.00  0.00           H  
HETATM   66  H   UNL     1       6.268   5.015  -0.624  1.00  0.00           H  
HETATM   67  H   UNL     1       4.818   6.124   0.832  1.00  0.00           H  
HETATM   68  H   UNL     1       4.760   4.763   1.977  1.00  0.00           H  
HETATM   69  H   UNL     1       6.959  -1.946   1.142  1.00  0.00           H  
HETATM   70  H   UNL     1       6.095  -1.413  -1.636  1.00  0.00           H  
HETATM   71  H   UNL     1       4.750  -3.481  -1.382  1.00  0.00           H  
HETATM   72  H   UNL     1       7.142  -3.656  -2.013  1.00  0.00           H  
HETATM   73  H   UNL     1       7.590  -3.737  -0.292  1.00  0.00           H  
HETATM   74  H   UNL     1       5.840  -3.454   1.469  1.00  0.00           H  
HETATM   75  H   UNL     1       4.146  -3.170   1.003  1.00  0.00           H  
HETATM   76  H   UNL     1       5.792  -5.720  -1.759  1.00  0.00           H  
HETATM   77  H   UNL     1       7.486  -6.004  -1.293  1.00  0.00           H  
HETATM   78  H   UNL     1       4.042  -5.437   0.002  1.00  0.00           H  
HETATM   79  H   UNL     1       4.490  -5.518   1.723  1.00  0.00           H  
HETATM   80  H   UNL     1       5.930  -7.005   0.357  1.00  0.00           H  
HETATM   81  H   UNL     1       6.882  -5.693   1.092  1.00  0.00           H  
HETATM   82  H   UNL     1       4.134  -0.285  -2.106  1.00  0.00           H  
HETATM   83  H   UNL     1       2.728   0.816   0.204  1.00  0.00           H  
HETATM   84  H   UNL     1       3.178   1.585  -2.524  1.00  0.00           H  
HETATM   85  H   UNL     1       1.421   1.433  -2.285  1.00  0.00           H  
HETATM   86  H   UNL     1       4.433   2.762  -0.493  1.00  0.00           H  
HETATM   87  H   UNL     1       0.300   3.257  -1.422  1.00  0.00           H  
HETATM   88  H   UNL     1       0.281   5.392  -0.197  1.00  0.00           H  
HETATM   89  H   UNL     1       2.337   6.212   0.882  1.00  0.00           H  
HETATM   90  H   UNL     1       0.258   0.608   0.350  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.903  -1.590  -1.183  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.557  -2.833   0.901  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.511  -1.740   1.839  1.00  0.00           H  
HETATM   94  H   UNL     1       1.443  -2.448   0.488  1.00  0.00           H  
HETATM   95  H   UNL     1       0.398  -3.541  -0.451  1.00  0.00           H  
HETATM   96  H   UNL     1       0.878  -3.688   2.559  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.167  -4.781   1.621  1.00  0.00           H  
HETATM   98  H   UNL     1       1.591  -4.772   1.341  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.512   0.625   0.387  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.922  -1.099  -1.350  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.985  -1.783   0.292  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.474  -1.100  -0.485  1.00  0.00           H  
HETATM  103  HA  UNL     1      -9.018   1.277   1.122  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.297  -1.431  -1.080  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.127   1.192   2.180  1.00  0.00           H  
HETATM  106  H   UNL     1     -12.370  -2.672  -0.609  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.203  -0.047   2.648  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.825  -1.979   1.253  1.00  0.00           H  
HETATM  109  HXT UNL     1     -10.622   3.230  -1.549  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   55   56                                       
CONECT    4    3    5   57   58                                       
CONECT    5    4    6   59   60                                       
CONECT    6    5    7   61   62                                       
CONECT    7    6    8   63   64                                       
CONECT    8    7    9   65   66                                       
CONECT    9    8   28   67   68                                       
CONECT   10    1   11   69                                            
CONECT   11   10   12   18   70                                       
CONECT   12   11   13   14   71                                       
CONECT   13   12   15   72   73                                       
CONECT   14   12   16   74   75                                       
CONECT   15   13   17   76   77                                       
CONECT   16   14   17   78   79                                       
CONECT   17   15   16   80   81                                       
CONECT   18   11   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   82                                            
CONECT   21   20   22   29   83                                       
CONECT   22   21   23   84   85                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   28   28   86                                       
CONECT   25   23   23   26   87                                       
CONECT   26   25   27   27   88                                       
CONECT   27   26   26   28   89                                       
CONECT   28    9   24   24   27                                       
CONECT   29   21   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   90                                            
CONECT   32   31   33   37   91                                       
CONECT   33   32   34   92   93                                       
CONECT   34   33   35   94   95                                       
CONECT   35   34   96   97   98                                       
CONECT   36   37   37                                                 
CONECT   37   32   36   36   43                                       
CONECT   38   43   43                                                 
CONECT   39   40   43   99                                            
CONECT   40   39   41  100  101                                       
CONECT   41   40   42   42   44                                       
CONECT   42   41   41                                                 
CONECT   43   37   38   38   39                                       
CONECT   44   41   45  102                                            
CONECT   45   44   46   52  103                                       
CONECT   46   45   47   48   48                                       
CONECT   47   46   49   49  104                                       
CONECT   48   46   46   50  105                                       
CONECT   49   47   47   51  106                                       
CONECT   50   48   51   51  107                                       
CONECT   51   49   50   50  108                                       
CONECT   52   45   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52  109                                                 
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   54                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
