COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.826  -0.488   0.596  1.00  0.00           C  
HETATM    2  O   UNL     1       4.984  -1.301   1.485  1.00  0.00           O  
HETATM    3  O   UNL     1       5.895   0.069  -0.004  1.00  0.00           O  
HETATM    4  C   UNL     1       7.205  -0.348   0.463  1.00  0.00           C  
HETATM    5  C   UNL     1       8.270   0.376  -0.319  1.00  0.00           C  
HETATM    6  C   UNL     1       8.752   1.592   0.130  1.00  0.00           C  
HETATM    7  C   UNL     1       9.729   2.256  -0.587  1.00  0.00           C  
HETATM    8  C   UNL     1      10.225   1.704  -1.754  1.00  0.00           C  
HETATM    9  C   UNL     1       9.744   0.489  -2.203  1.00  0.00           C  
HETATM   10  C   UNL     1       8.770  -0.177  -1.483  1.00  0.00           C  
HETATM   11  N   UNL     1       3.581  -0.149   0.206  1.00  0.00           N  
HETATM   12  C   UNL     1       2.419  -0.761   0.855  1.00  0.00           C  
HETATM   13  C   UNL     1       1.243  -0.729  -0.087  1.00  0.00           C  
HETATM   14  O   UNL     1       1.364  -0.243  -1.191  1.00  0.00           O  
HETATM   15  C   UNL     1       2.075   0.019   2.126  1.00  0.00           C  
HETATM   16  C   UNL     1       3.219  -0.117   3.133  1.00  0.00           C  
HETATM   17  C   UNL     1       2.933   0.762   4.352  1.00  0.00           C  
HETATM   18  C   UNL     1       3.339  -1.577   3.574  1.00  0.00           C  
HETATM   19  N   UNL     1       0.057  -1.240   0.298  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.086  -1.208  -0.618  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.367  -1.241   0.176  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.329  -1.286   1.387  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.030  -2.424  -1.545  1.00  0.00           C  
HETATM   24  C   UNL     1       0.208  -2.326  -2.439  1.00  0.00           C  
HETATM   25  C   UNL     1       0.333  -3.599  -3.278  1.00  0.00           C  
HETATM   26  C   UNL     1       0.074  -1.116  -3.366  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.097   4.145  -1.331  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.509   3.578  -0.441  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.392   4.116   0.075  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.951   5.381  -0.486  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.673   5.834   0.223  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.028   2.267   0.090  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.278   1.963  -0.531  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.021   1.157  -0.220  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.480  -0.130   0.417  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.511  -0.156   1.056  1.00  0.00           O  
HETATM   37  N   UNL     1      -4.746  -1.251   0.277  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.555  -1.220  -0.461  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.192  -2.501   0.896  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.081  -3.268  -0.086  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.445  -4.628   0.511  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.358  -2.468  -0.348  1.00  0.00           C  
HETATM   43  H   UNL     1       7.306  -0.109   1.521  1.00  0.00           H  
HETATM   44  H   UNL     1       7.316  -1.423   0.320  1.00  0.00           H  
HETATM   45  H   UNL     1       8.365   2.022   1.042  1.00  0.00           H  
HETATM   46  H   UNL     1      10.105   3.205  -0.236  1.00  0.00           H  
HETATM   47  H   UNL     1      10.988   2.224  -2.315  1.00  0.00           H  
HETATM   48  H   UNL     1      10.132   0.058  -3.115  1.00  0.00           H  
HETATM   49  H   UNL     1       8.397  -1.129  -1.832  1.00  0.00           H  
HETATM   50  H   UNL     1       3.455   0.499  -0.503  1.00  0.00           H  
HETATM   51  H   UNL     1       2.649  -1.794   1.114  1.00  0.00           H  
HETATM   52  H   UNL     1       1.932   1.071   1.879  1.00  0.00           H  
HETATM   53  H   UNL     1       1.159  -0.380   2.561  1.00  0.00           H  
HETATM   54  H   UNL     1       4.153   0.199   2.668  1.00  0.00           H  
HETATM   55  H   UNL     1       2.000   0.445   4.818  1.00  0.00           H  
HETATM   56  H   UNL     1       3.748   0.664   5.069  1.00  0.00           H  
HETATM   57  H   UNL     1       2.848   1.802   4.038  1.00  0.00           H  
HETATM   58  H   UNL     1       3.542  -2.204   2.706  1.00  0.00           H  
HETATM   59  H   UNL     1       4.154  -1.675   4.291  1.00  0.00           H  
HETATM   60  H   UNL     1       2.405  -1.894   4.039  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.040  -1.628   1.182  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.051  -0.296  -1.212  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.976  -3.334  -0.948  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.925  -2.449  -2.166  1.00  0.00           H  
HETATM   65  H   UNL     1       1.097  -2.211  -1.818  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.556  -3.714  -3.899  1.00  0.00           H  
HETATM   67  H   UNL     1       1.215  -3.530  -3.915  1.00  0.00           H  
HETATM   68  H   UNL     1       0.428  -4.462  -2.618  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.815  -1.230  -3.987  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.015  -0.209  -2.768  1.00  0.00           H  
HETATM   71  H   UNL     1       0.956  -1.046  -4.003  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.751   5.257  -1.550  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.729   6.131  -0.347  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.341   6.783  -0.198  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.872   5.958   1.287  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.894   5.084   0.084  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.166   2.341   1.169  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.230   1.882  -1.493  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.949   1.022  -1.299  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.044   1.431   0.179  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.585  -1.184  -1.429  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.325  -3.110   1.152  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.758  -2.277   1.800  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.544  -3.414  -1.023  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.981  -4.482   1.449  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.078  -5.174  -0.188  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.535  -5.199   0.699  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.894  -2.321   0.589  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.098  -1.498  -0.774  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.991  -3.014  -1.048  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   43   44                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    5    9    9   49                                       
CONECT   11   12   50    1                                            
CONECT   12   11   13   15   51                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   52   53                                       
CONECT   16   15   17   18   54                                       
CONECT   17   16   55   56   57                                       
CONECT   18   16   58   59   60                                       
CONECT   19   20   61   13                                            
CONECT   20   19   21   23   62                                       
CONECT   21   20   22   22   38                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   63   64                                       
CONECT   24   23   25   26   65                                       
CONECT   25   24   66   67   68                                       
CONECT   26   24   69   70   71                                       
CONECT   27   28   28                                                 
CONECT   28   27   27   29   32                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   72   73                                       
CONECT   31   30   74   75   76                                       
CONECT   32   28   33   34   77                                       
CONECT   33   32   78                                                 
CONECT   34   32   35   79   80                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   39                                            
CONECT   38   37   81   21                                            
CONECT   39   37   40   82   83                                       
CONECT   40   39   41   42   84                                       
CONECT   41   40   85   86   87                                       
CONECT   42   40   88   89   90                                       
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
