COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.525  -0.475   0.593  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.510  -1.201   1.568  1.00  0.00           O  
HETATM    3  O   UNL     1      -6.698  -0.103   0.048  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.906  -0.608   0.677  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.112  -0.091  -0.065  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.636  -0.814  -1.121  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.742  -0.340  -1.801  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.324   0.856  -1.426  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.800   1.579  -0.370  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.697   1.102   0.314  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.366  -0.036   0.062  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.089  -0.440   0.655  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.037   0.589   0.332  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.326   1.564  -0.329  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.668  -1.796   0.085  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.672  -2.866   0.519  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.322  -4.196  -0.152  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.616  -3.031   2.039  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.775   0.426   0.777  1.00  0.00           N  
HETATM   20  C   UNL     1       0.271   1.368   0.372  1.00  0.00           C  
HETATM   21  C   UNL     1       1.602   0.660   0.349  1.00  0.00           C  
HETATM   22  O   UNL     1       1.739  -0.393   0.936  1.00  0.00           O  
HETATM   23  C   UNL     1       0.328   2.527   1.369  1.00  0.00           C  
HETATM   24  C   UNL     1       1.329   3.575   0.876  1.00  0.00           C  
HETATM   25  C   UNL     1       0.826   4.183  -0.434  1.00  0.00           C  
HETATM   26  C   UNL     1       1.473   4.676   1.928  1.00  0.00           C  
HETATM   27  C   UNL     1       5.049   1.442  -0.658  1.00  0.00           C  
HETATM   28  O   UNL     1       4.880   2.099  -1.916  1.00  0.00           O  
HETATM   29  C   UNL     1       3.899   0.458  -0.438  1.00  0.00           C  
HETATM   30  C   UNL     1       3.818  -0.506  -1.624  1.00  0.00           C  
HETATM   31  C   UNL     1       2.750  -1.566  -1.348  1.00  0.00           C  
HETATM   32  C   UNL     1       2.582  -2.454  -2.583  1.00  0.00           C  
HETATM   33  C   UNL     1       3.181  -2.425  -0.158  1.00  0.00           C  
HETATM   34  N   UNL     1       2.639   1.197  -0.323  1.00  0.00           N  
HETATM   35  C   UNL     1       6.358   0.694  -0.654  1.00  0.00           C  
HETATM   36  O   UNL     1       7.032   0.646  -1.661  1.00  0.00           O  
HETATM   37  C   UNL     1       8.041  -0.522   0.506  1.00  0.00           C  
HETATM   38  C   UNL     1       8.238  -1.683   1.244  1.00  0.00           C  
HETATM   39  C   UNL     1       9.486  -2.274   1.278  1.00  0.00           C  
HETATM   40  C   UNL     1      10.539  -1.712   0.580  1.00  0.00           C  
HETATM   41  C   UNL     1      10.346  -0.556  -0.156  1.00  0.00           C  
HETATM   42  C   UNL     1       9.099   0.036  -0.200  1.00  0.00           C  
HETATM   43  N   UNL     1       6.779   0.079   0.469  1.00  0.00           N  
HETATM   44  H   UNL     1      -7.902  -1.698   0.649  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.945  -0.271   1.712  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.181  -1.749  -1.414  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.151  -0.904  -2.626  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.188   1.227  -1.957  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.255   2.513  -0.077  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.290   1.664   1.141  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.378   0.546  -0.714  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.200  -0.520   1.737  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.644  -1.741  -1.003  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.677  -2.055   0.458  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.676  -2.563   0.223  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.318  -4.499   0.144  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.037  -4.958   0.157  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.362  -4.078  -1.235  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.612  -3.334   2.335  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.866  -2.084   2.517  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.332  -3.793   2.348  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.561  -0.314   1.366  1.00  0.00           H  
HETATM   63  H   UNL     1       0.048   1.754  -0.622  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.660   2.980   1.455  1.00  0.00           H  
HETATM   65  H   UNL     1       0.643   2.154   2.343  1.00  0.00           H  
HETATM   66  H   UNL     1       2.297   3.102   0.709  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.102   4.726  -0.251  1.00  0.00           H  
HETATM   68  H   UNL     1       1.576   4.869  -0.828  1.00  0.00           H  
HETATM   69  H   UNL     1       0.645   3.389  -1.158  1.00  0.00           H  
HETATM   70  H   UNL     1       1.831   4.243   2.862  1.00  0.00           H  
HETATM   71  H   UNL     1       2.186   5.423   1.577  1.00  0.00           H  
HETATM   72  H   UNL     1       0.505   5.149   2.095  1.00  0.00           H  
HETATM   73  H   UNL     1       5.051   2.183   0.142  1.00  0.00           H  
HETATM   74  H   UNL     1       4.869   1.500  -2.674  1.00  0.00           H  
HETATM   75  H   UNL     1       4.074  -0.107   0.477  1.00  0.00           H  
HETATM   76  H   UNL     1       3.556   0.048  -2.526  1.00  0.00           H  
HETATM   77  H   UNL     1       4.784  -0.991  -1.765  1.00  0.00           H  
HETATM   78  H   UNL     1       2.552   2.072  -0.731  1.00  0.00           H  
HETATM   79  H   UNL     1       1.803  -1.077  -1.121  1.00  0.00           H  
HETATM   80  H   UNL     1       3.530  -2.943  -2.811  1.00  0.00           H  
HETATM   81  H   UNL     1       1.821  -3.209  -2.387  1.00  0.00           H  
HETATM   82  H   UNL     1       2.276  -1.842  -3.432  1.00  0.00           H  
HETATM   83  H   UNL     1       4.128  -2.914  -0.385  1.00  0.00           H  
HETATM   84  H   UNL     1       3.300  -1.793   0.722  1.00  0.00           H  
HETATM   85  H   UNL     1       2.420  -3.181   0.039  1.00  0.00           H  
HETATM   86  H   UNL     1       7.417  -2.122   1.790  1.00  0.00           H  
HETATM   87  H   UNL     1       9.640  -3.176   1.852  1.00  0.00           H  
HETATM   88  H   UNL     1      11.514  -2.176   0.608  1.00  0.00           H  
HETATM   89  H   UNL     1      11.170  -0.119  -0.700  1.00  0.00           H  
HETATM   90  H   UNL     1       8.948   0.936  -0.778  1.00  0.00           H  
HETATM   91  H   UNL     1       6.206   0.053   1.252  1.00  0.00           H  
CONECT    1   11    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   44   45                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6    8    8   47                                       
CONECT    8    7    7    9   48                                       
CONECT    9   10   10    8   49                                       
CONECT   10    5    9    9   50                                       
CONECT   11   12    1   51                                            
CONECT   12   13   15   11   52                                       
CONECT   13   19   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   53   54                                       
CONECT   16   15   17   18   55                                       
CONECT   17   16   56   57   58                                       
CONECT   18   16   59   60   61                                       
CONECT   19   20   13   62                                            
CONECT   20   21   23   19   63                                       
CONECT   21   34   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   64   65                                       
CONECT   24   23   26   25   66                                       
CONECT   25   24   67   68   69                                       
CONECT   26   24   70   71   72                                       
CONECT   27   35   28   29   73                                       
CONECT   28   27   74                                                 
CONECT   29   27   30   34   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   33   79                                       
CONECT   32   31   80   81   82                                       
CONECT   33   31   83   84   85                                       
CONECT   34   29   21   78                                            
CONECT   35   36   36   27   43                                       
CONECT   36   35   35                                                 
CONECT   37   38   43   42   42                                       
CONECT   38   39   39   37   86                                       
CONECT   39   38   38   40   87                                       
CONECT   40   39   41   41   88                                       
CONECT   41   40   40   42   89                                       
CONECT   42   37   37   41   90                                       
CONECT   43   35   37   91                                            
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   34                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
