COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.792  -0.964  -1.964  1.00  0.00           O  
HETATM    2  C   UNL     1       7.489  -2.069  -1.384  1.00  0.00           C  
HETATM    3  C   UNL     1       7.995  -2.994  -2.495  1.00  0.00           C  
HETATM    4  O   UNL     1       8.939  -2.294  -3.308  1.00  0.00           O  
HETATM    5  C   UNL     1       8.672  -4.213  -1.860  1.00  0.00           C  
HETATM    6  O   UNL     1       9.811  -3.789  -1.109  1.00  0.00           O  
HETATM    7  C   UNL     1       7.677  -4.912  -0.929  1.00  0.00           C  
HETATM    8  C   UNL     1       8.364  -6.095  -0.244  1.00  0.00           C  
HETATM    9  O   UNL     1       7.406  -6.817   0.533  1.00  0.00           O  
HETATM   10  O   UNL     1       7.222  -3.987   0.061  1.00  0.00           O  
HETATM   11  C   UNL     1       6.540  -2.851  -0.472  1.00  0.00           C  
HETATM   12  N   UNL     1       6.096  -1.988   0.626  1.00  0.00           N  
HETATM   13  C   UNL     1       4.811  -1.726   0.959  1.00  0.00           C  
HETATM   14  N   UNL     1       6.862  -1.353   1.443  1.00  0.00           N  
HETATM   15  N   UNL     1       6.155  -0.688   2.287  1.00  0.00           N  
HETATM   16  C   UNL     1       4.860  -0.895   2.026  1.00  0.00           C  
HETATM   17  C   UNL     1       3.685  -0.314   2.770  1.00  0.00           C  
HETATM   18  O   UNL     1       2.470  -0.774   2.176  1.00  0.00           O  
HETATM   19  C   UNL     1       1.289  -0.278   2.810  1.00  0.00           C  
HETATM   20  C   UNL     1       0.055  -0.832   2.096  1.00  0.00           C  
HETATM   21  C   UNL     1       0.072  -0.390   0.631  1.00  0.00           C  
HETATM   22  O   UNL     1       0.059   1.038   0.565  1.00  0.00           O  
HETATM   23  N   UNL     1       0.068  -2.300   2.164  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.209  -0.302   2.775  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.359  -0.910   2.183  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.599  -0.480   2.748  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.738  -1.181   2.052  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.640  -2.082   1.046  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.042  -1.039   2.310  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.709  -1.802   1.518  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.908  -2.441   0.738  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.301  -3.400  -0.298  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.046  -2.725  -1.314  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.458  -3.568  -2.391  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.218  -2.737  -3.427  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.332  -1.780  -4.013  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.372  -4.672  -1.853  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.547  -4.087  -1.288  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.624  -5.462  -0.774  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.494  -6.447  -0.214  1.00  0.00           O  
HETATM   41  C   UNL     1      -7.168  -4.497   0.325  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.407  -5.211   1.301  1.00  0.00           O  
HETATM   43  H   UNL     1       7.333  -0.426  -2.559  1.00  0.00           H  
HETATM   44  H   UNL     1       8.334  -1.701  -0.803  1.00  0.00           H  
HETATM   45  H   UNL     1       7.156  -3.320  -3.109  1.00  0.00           H  
HETATM   46  H   UNL     1       8.579  -1.505  -3.737  1.00  0.00           H  
HETATM   47  H   UNL     1       8.987  -4.903  -2.642  1.00  0.00           H  
HETATM   48  H   UNL     1      10.482  -3.333  -1.635  1.00  0.00           H  
HETATM   49  H   UNL     1       6.827  -5.271  -1.509  1.00  0.00           H  
HETATM   50  H   UNL     1       8.789  -6.755  -1.000  1.00  0.00           H  
HETATM   51  H   UNL     1       9.158  -5.728   0.406  1.00  0.00           H  
HETATM   52  H   UNL     1       7.773  -7.583   0.997  1.00  0.00           H  
HETATM   53  H   UNL     1       5.675  -3.182  -1.046  1.00  0.00           H  
HETATM   54  H   UNL     1       3.925  -2.105   0.471  1.00  0.00           H  
HETATM   55  H   UNL     1       3.723  -0.630   3.812  1.00  0.00           H  
HETATM   56  H   UNL     1       3.726   0.775   2.719  1.00  0.00           H  
HETATM   57  H   UNL     1       1.277  -0.594   3.854  1.00  0.00           H  
HETATM   58  H   UNL     1       1.279   0.811   2.760  1.00  0.00           H  
HETATM   59  H   UNL     1       0.973  -0.768   0.148  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.807  -0.785   0.122  1.00  0.00           H  
HETATM   61  H   UNL     1       0.057  -2.618   3.121  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.702  -2.693   1.644  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.178  -0.541   3.838  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.263   0.780   2.647  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.618  -0.723   3.810  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.703   0.597   2.619  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.734  -2.441   0.583  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.409  -3.846  -0.737  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.582  -4.017  -2.858  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.609  -3.394  -4.204  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.044  -2.217  -2.941  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.748  -1.217  -4.680  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.652  -5.342  -2.666  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.172  -4.730  -0.927  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.755  -5.949  -1.215  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.085  -6.985   0.478  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.040  -4.047   0.800  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.893  -5.926   1.734  1.00  0.00           H  
HETATM   79  C   UNL     1       0.073   1.558  -0.766  1.00  0.00           C  
HETATM   80  C   UNL     1       0.058   3.064  -0.716  1.00  0.00           C  
HETATM   81  C   UNL     1       0.035   3.838   0.394  1.00  0.00           C  
HETATM   82  N   UNL     1       0.029   5.120  -0.040  1.00  0.00           N  
HETATM   83  N   UNL     1       0.048   5.110  -1.327  1.00  0.00           N  
HETATM   84  N   UNL     1       0.071   3.899  -1.761  1.00  0.00           N  
HETATM   85  C   UNL     1       0.005   6.313   0.809  1.00  0.00           C  
HETATM   86  O   UNL     1       1.219   7.048   0.634  1.00  0.00           O  
HETATM   87  C   UNL     1       1.457   7.467  -0.711  1.00  0.00           C  
HETATM   88  C   UNL     1       0.326   8.394  -1.163  1.00  0.00           C  
HETATM   89  C   UNL     1      -1.011   7.659  -1.031  1.00  0.00           C  
HETATM   90  C   UNL     1      -1.184   7.194   0.419  1.00  0.00           C  
HETATM   91  C   UNL     1      -2.480   6.391   0.547  1.00  0.00           C  
HETATM   92  O   UNL     1      -2.079   8.541  -1.381  1.00  0.00           O  
HETATM   93  O   UNL     1       0.311   9.564  -0.343  1.00  0.00           O  
HETATM   94  O   UNL     1       2.702   8.165  -0.779  1.00  0.00           O  
HETATM   95  O   UNL     1      -3.596   7.243   0.287  1.00  0.00           O  
HETATM   96  H   UNL     1       0.974   1.220  -1.278  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.806   1.204  -1.304  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.091   6.015   1.853  1.00  0.00           H  
HETATM   99  H   UNL     1       1.494   6.594  -1.363  1.00  0.00           H  
HETATM  100  H   UNL     1       0.483   8.680  -2.204  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.018   6.793  -1.694  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.226   8.062   1.077  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.472   5.572  -0.173  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.558   5.986   1.556  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.029   8.880  -2.285  1.00  0.00           H  
HETATM  106  H   UNL     1       1.130  10.077  -0.374  1.00  0.00           H  
HETATM  107  H   UNL     1       3.465   7.637  -0.506  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.453   6.799   0.351  1.00  0.00           H  
HETATM  109  H   UNL     1       0.023   3.500   1.420  1.00  0.00           H  
CONECT    1    2   43                                                 
CONECT    2    1   11    3   44                                       
CONECT    3    2    4    5   45                                       
CONECT    4    3   46                                                 
CONECT    5    3    7    6   47                                       
CONECT    6    5   48                                                 
CONECT    7   10    5    8   49                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8   52                                                 
CONECT   10   11    7                                                 
CONECT   11   12    2   10   53                                       
CONECT   12   13   14   11                                            
CONECT   13   16   16   12   54                                       
CONECT   14   15   15   12                                            
CONECT   15   16   14   14                                            
CONECT   16   17   13   13   15                                       
CONECT   17   18   16   55   56                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   57   58                                       
CONECT   20   21   24   19   23                                       
CONECT   21   22   20   59   60                                       
CONECT   22   21   79                                                 
CONECT   23   20   61   62                                            
CONECT   24   25   20   63   64                                       
CONECT   25   24   26                                                 
CONECT   26   27   25   65   66                                       
CONECT   27   29   28   28   26                                       
CONECT   28   31   27   27   67                                       
CONECT   29   30   30   27                                            
CONECT   30   29   29   31                                            
CONECT   31   30   32   28                                            
CONECT   32   33   41   31   68                                       
CONECT   33   34   32                                                 
CONECT   34   35   37   33   69                                       
CONECT   35   36   34   70   71                                       
CONECT   36   35   72                                                 
CONECT   37   38   34   39   73                                       
CONECT   38   37   74                                                 
CONECT   39   37   40   41   75                                       
CONECT   40   39   76                                                 
CONECT   41   39   32   42   77                                       
CONECT   42   41   78                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   22   80   96   97                                       
CONECT   80   79   81   81   84                                       
CONECT   81   80   80   82  109                                       
CONECT   82   81   83   85                                            
CONECT   83   82   84   84                                            
CONECT   84   83   83   80                                            
CONECT   85   82   86   90   98                                       
CONECT   86   85   87                                                 
CONECT   87   86   88   94   99                                       
CONECT   88   87   89   93  100                                       
CONECT   89   88   90   92  101                                       
CONECT   90   89   85   91  102                                       
CONECT   91   90   95  103  104                                       
CONECT   92   89  105                                                 
CONECT   93   88  106                                                 
CONECT   94   87  107                                                 
CONECT   95   91  108                                                 
CONECT   96   79                                                      
CONECT   97   79                                                      
CONECT   98   85                                                      
CONECT   99   87                                                      
CONECT  100   88                                                      
CONECT  101   89                                                      
CONECT  102   90                                                      
CONECT  103   91                                                      
CONECT  104   91                                                      
CONECT  105   92                                                      
CONECT  106   93                                                      
CONECT  107   94                                                      
CONECT  108   95                                                      
CONECT  109   81                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
