COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.032  -4.169  -1.509  1.00  0.00           C  
HETATM    2  C   UNL     1       0.847  -4.789  -2.438  1.00  0.00           C  
HETATM    3  C   UNL     1       0.288  -5.530  -3.462  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.086  -5.652  -3.557  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.901  -5.033  -2.628  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.342  -4.296  -1.601  1.00  0.00           C  
HETATM    7  C   UNL     1       0.176   4.581  -1.337  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.768   5.228  -2.113  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.367   6.014  -3.178  1.00  0.00           C  
HETATM   10  C   UNL     1       0.978   6.153  -3.466  1.00  0.00           C  
HETATM   11  C   UNL     1       1.922   5.507  -2.689  1.00  0.00           C  
HETATM   12  C   UNL     1       1.521   4.725  -1.622  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.261   3.725  -0.177  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.463   2.383  -0.625  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.979   1.649   0.487  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.521   0.192   0.393  1.00  0.00           C  
HETATM   17  C   UNL     1       1.004   0.142   0.277  1.00  0.00           C  
HETATM   18  C   UNL     1       1.465  -1.316   0.241  1.00  0.00           C  
HETATM   19  C   UNL     1       2.952  -1.366   0.003  1.00  0.00           C  
HETATM   20  O   UNL     1       3.386  -1.855  -1.019  1.00  0.00           O  
HETATM   21  N   UNL     1       3.800  -0.868   0.924  1.00  0.00           N  
HETATM   22  O   UNL     1       0.790  -2.004  -0.813  1.00  0.00           O  
HETATM   23  C   UNL     1       0.641  -3.361  -0.393  1.00  0.00           C  
HETATM   24  O   UNL     1       1.589   0.800   1.403  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.933  -0.513   1.566  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.484   1.705   0.472  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.062   2.235  -0.453  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.189   1.166   1.486  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.653   1.220   1.471  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.215   0.025   0.731  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.284  -0.499   1.436  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.823  -0.560  -0.460  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.497  -1.663  -0.948  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.566  -2.186  -0.245  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.208   1.106   2.907  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.301   0.389   3.746  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.958  -1.604   0.945  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.513   0.310   2.695  1.00  0.00           C  
HETATM   39  C   UNL     1       5.246  -0.917   0.692  1.00  0.00           C  
HETATM   40  C   UNL     1       5.670   0.295  -0.139  1.00  0.00           C  
HETATM   41  C   UNL     1       4.937   0.274  -1.482  1.00  0.00           C  
HETATM   42  C   UNL     1       5.318   1.579   0.614  1.00  0.00           C  
HETATM   43  C   UNL     1       5.968  -0.896   2.015  1.00  0.00           C  
HETATM   44  O   UNL     1       5.337  -0.846   3.050  1.00  0.00           O  
HETATM   45  N   UNL     1       7.315  -0.934   2.048  1.00  0.00           N  
HETATM   46  C   UNL     1       8.017  -0.914   3.334  1.00  0.00           C  
HETATM   47  H   UNL     1       1.920  -4.694  -2.364  1.00  0.00           H  
HETATM   48  H   UNL     1       0.924  -6.014  -4.189  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.523  -6.231  -4.358  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.974  -5.128  -2.702  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.978  -3.812  -0.875  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.818   5.119  -1.888  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.104   6.518  -3.784  1.00  0.00           H  
HETATM   54  H   UNL     1       1.292   6.766  -4.298  1.00  0.00           H  
HETATM   55  H   UNL     1       2.973   5.616  -2.915  1.00  0.00           H  
HETATM   56  H   UNL     1       2.259   4.220  -1.016  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.193   4.115   0.232  1.00  0.00           H  
HETATM   58  H   UNL     1       0.509   3.738   0.595  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.608   2.087   1.414  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.968  -0.273  -0.486  1.00  0.00           H  
HETATM   61  H   UNL     1       1.315   0.645  -0.639  1.00  0.00           H  
HETATM   62  H   UNL     1       1.234  -1.794   1.193  1.00  0.00           H  
HETATM   63  H   UNL     1       3.453  -0.477   1.742  1.00  0.00           H  
HETATM   64  H   UNL     1       1.618  -3.772  -0.138  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.009  -3.401   0.482  1.00  0.00           H  
HETATM   66  H   UNL     1       1.289   0.326   2.190  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.517  -0.071   2.319  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.727   0.742   2.226  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.992   2.146   1.007  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.988  -0.152  -1.010  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.188  -2.116  -1.879  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.093  -3.048  -0.625  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.419   2.093   3.320  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.704   0.352   4.625  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.794  -2.013   1.494  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.694  -0.352   3.542  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.354   0.991   2.560  1.00  0.00           H  
HETATM   78  H   UNL     1       5.497  -1.832   0.156  1.00  0.00           H  
HETATM   79  H   UNL     1       6.746   0.259  -0.312  1.00  0.00           H  
HETATM   80  H   UNL     1       5.239   1.138  -2.075  1.00  0.00           H  
HETATM   81  H   UNL     1       5.188  -0.641  -2.019  1.00  0.00           H  
HETATM   82  H   UNL     1       3.861   0.311  -1.309  1.00  0.00           H  
HETATM   83  H   UNL     1       5.840   1.594   1.571  1.00  0.00           H  
HETATM   84  H   UNL     1       5.620   2.443   0.022  1.00  0.00           H  
HETATM   85  H   UNL     1       4.242   1.616   0.787  1.00  0.00           H  
HETATM   86  H   UNL     1       7.819  -0.975   1.221  1.00  0.00           H  
HETATM   87  H   UNL     1       7.766   0.001   3.871  1.00  0.00           H  
HETATM   88  H   UNL     1       7.714  -1.778   3.926  1.00  0.00           H  
HETATM   89  H   UNL     1       9.092  -0.951   3.161  1.00  0.00           H  
CONECT    1    2    2    6   23                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5   49                                       
CONECT    5    4    6    6   50                                       
CONECT    6    1    5    5   51                                       
CONECT    7    8    8   12   13                                       
CONECT    8    7    7    9   52                                       
CONECT    9    8   10   10   53                                       
CONECT   10    9    9   11   54                                       
CONECT   11   10   12   12   55                                       
CONECT   12    7   11   11   56                                       
CONECT   13    7   14   57   58                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   26   59                                       
CONECT   16   15   17   25   60                                       
CONECT   17   16   18   24   61                                       
CONECT   18   17   19   22   62                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   39   63                                            
CONECT   22   18   23                                                 
CONECT   23    1   22   64   65                                       
CONECT   24   17   66                                                 
CONECT   25   16   67                                                 
CONECT   26   15   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   68                                            
CONECT   29   28   30   35   69                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30   37   38                                       
CONECT   32   30   33   33   70                                       
CONECT   33   32   32   34   71                                       
CONECT   34   33   37   37   72                                       
CONECT   35   29   36   38   73                                       
CONECT   36   35   74                                                 
CONECT   37   31   34   34   75                                       
CONECT   38   31   35   76   77                                       
CONECT   39   21   40   43   78                                       
CONECT   40   39   41   42   79                                       
CONECT   41   40   80   81   82                                       
CONECT   42   40   83   84   85                                       
CONECT   43   39   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   86                                            
CONECT   46   45   87   88   89                                       
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
