COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.003  -1.433  -0.696  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.337  -1.531   0.466  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.696  -1.370  -1.019  1.00  0.00           N  
HETATM    4  C   UNL     1       0.322  -1.420   0.034  1.00  0.00           C  
HETATM    5  C   UNL     1       0.628  -2.879   0.378  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.596  -3.521   0.977  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.517  -4.149   0.159  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.796  -3.488   2.344  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.641  -4.739   0.708  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.919  -4.077   2.893  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.843  -4.701   2.075  1.00  0.00           C  
HETATM   12  C   UNL     1       1.598  -0.733  -0.457  1.00  0.00           C  
HETATM   13  O   UNL     1       2.147  -1.473  -1.550  1.00  0.00           O  
HETATM   14  C   UNL     1       2.616  -0.674   0.682  1.00  0.00           C  
HETATM   15  N   UNL     1       3.794   0.090   0.248  1.00  0.00           N  
HETATM   16  C   UNL     1       4.796   0.167   1.319  1.00  0.00           C  
HETATM   17  C   UNL     1       5.986   0.956   0.838  1.00  0.00           C  
HETATM   18  C   UNL     1       6.025   2.326   1.019  1.00  0.00           C  
HETATM   19  C   UNL     1       7.115   3.054   0.579  1.00  0.00           C  
HETATM   20  C   UNL     1       8.170   2.414  -0.042  1.00  0.00           C  
HETATM   21  C   UNL     1       8.134   1.038  -0.225  1.00  0.00           C  
HETATM   22  C   UNL     1       7.039   0.309   0.222  1.00  0.00           C  
HETATM   23  N   UNL     1       9.198   0.387  -0.854  1.00  0.00           N  
HETATM   24  C   UNL     1      10.354   1.157  -1.321  1.00  0.00           C  
HETATM   25  C   UNL     1       9.159  -1.065  -1.046  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.050  -1.388  -1.779  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.332  -1.908  -1.280  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.256  -0.942  -1.350  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.410  -1.101  -1.000  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.795   0.216  -1.840  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.368   0.070  -2.163  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.587   1.435  -2.025  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.518   2.274  -0.775  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.521   3.219  -0.633  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.458   3.991   0.518  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.396   3.811   1.523  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.391   2.864   1.377  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.455   2.100   0.226  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.478   4.922   0.660  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.474   5.681   1.872  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.429  -1.291  -1.948  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.048  -0.907   0.922  1.00  0.00           H  
HETATM   43  H   UNL     1       0.913  -3.414  -0.528  1.00  0.00           H  
HETATM   44  H   UNL     1       1.447  -2.918   1.096  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.359  -4.179  -0.909  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.074  -3.001   2.984  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.360  -5.229   0.069  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.075  -4.051   3.962  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.721  -5.161   2.504  1.00  0.00           H  
HETATM   50  H   UNL     1       1.362   0.279  -0.786  1.00  0.00           H  
HETATM   51  H   UNL     1       2.380  -2.385  -1.329  1.00  0.00           H  
HETATM   52  H   UNL     1       2.166  -0.188   1.548  1.00  0.00           H  
HETATM   53  H   UNL     1       2.919  -1.686   0.951  1.00  0.00           H  
HETATM   54  H   UNL     1       4.191  -0.305  -0.591  1.00  0.00           H  
HETATM   55  H   UNL     1       4.361   0.660   2.189  1.00  0.00           H  
HETATM   56  H   UNL     1       5.114  -0.839   1.593  1.00  0.00           H  
HETATM   57  H   UNL     1       5.201   2.829   1.504  1.00  0.00           H  
HETATM   58  H   UNL     1       7.142   4.124   0.721  1.00  0.00           H  
HETATM   59  H   UNL     1       9.021   2.984  -0.386  1.00  0.00           H  
HETATM   60  H   UNL     1       7.010  -0.762   0.085  1.00  0.00           H  
HETATM   61  H   UNL     1      11.097   1.215  -0.525  1.00  0.00           H  
HETATM   62  H   UNL     1      10.790   0.666  -2.191  1.00  0.00           H  
HETATM   63  H   UNL     1      10.035   2.163  -1.593  1.00  0.00           H  
HETATM   64  H   UNL     1       8.294  -1.327  -1.654  1.00  0.00           H  
HETATM   65  H   UNL     1      10.069  -1.389  -1.549  1.00  0.00           H  
HETATM   66  H   UNL     1       9.084  -1.558  -0.076  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.721  -1.953  -2.651  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.483  -2.809  -0.953  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.769   0.762  -1.571  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.198   0.231  -3.228  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.189   2.003  -2.866  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.624   1.167  -2.226  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.791   3.357  -1.417  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.349   4.411   2.421  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.122   2.724   2.159  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.236   1.363   0.112  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.413   6.227   1.961  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.365   5.007   2.722  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.643   6.385   1.857  1.00  0.00           H  
CONECT    1    2    2    3   26                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   41                                            
CONECT    4    3    5   12   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   45                                       
CONECT    8    6   10   10   46                                       
CONECT    9    7   11   11   47                                       
CONECT   10    8    8   11   48                                       
CONECT   11    9    9   10   49                                       
CONECT   12    4   13   14   50                                       
CONECT   13   12   51                                                 
CONECT   14   12   15   52   53                                       
CONECT   15   14   16   54                                            
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   57                                       
CONECT   19   18   20   20   58                                       
CONECT   20   19   19   21   59                                       
CONECT   21   20   22   22   23                                       
CONECT   22   17   21   21   60                                       
CONECT   23   21   24   25                                            
CONECT   24   23   61   62   63                                       
CONECT   25   23   64   65   66                                       
CONECT   26    1   27   31   67                                       
CONECT   27   26   28   68                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   32                                            
CONECT   31   26   30   69   70                                       
CONECT   32   30   33   71   72                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   73                                       
CONECT   35   34   36   36   39                                       
CONECT   36   35   35   37   74                                       
CONECT   37   36   38   38   75                                       
CONECT   38   33   37   37   76                                       
CONECT   39   35   40                                                 
CONECT   40   39   77   78   79                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
