COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.953   0.430   0.091  1.00  0.00           C  
HETATM    2  C   UNL     1       3.018  -0.701  -0.012  1.00  0.00           C  
HETATM    3  C   UNL     1       3.525  -2.069  -0.296  1.00  0.00           C  
HETATM    4  C   UNL     1       4.845  -2.262  -0.519  1.00  0.00           C  
HETATM    5  C   UNL     1       5.767  -1.127  -0.481  1.00  0.00           C  
HETATM    6  C   UNL     1       5.268   0.233  -0.144  1.00  0.00           C  
HETATM    7  C   UNL     1       3.429   1.785   0.481  1.00  0.00           C  
HETATM    8  C   UNL     1       2.393   2.261  -0.544  1.00  0.00           C  
HETATM    9  C   UNL     1       1.634   3.470   0.005  1.00  0.00           C  
HETATM   10  C   UNL     1       0.286   3.055   0.586  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.825   3.229  -0.449  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.184   2.936   0.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.703   1.618  -0.299  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572   0.899   0.360  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.042  -0.413  -0.229  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.414  -1.582   0.538  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.412  -2.812  -0.331  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.286  -3.477  -0.603  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.008  -3.043  -0.058  1.00  0.00           C  
HETATM   20  C   UNL     1       0.185  -3.501  -0.508  1.00  0.00           C  
HETATM   21  C   UNL     1       1.391  -2.980   0.109  1.00  0.00           C  
HETATM   22  N   UNL     1       2.638  -3.126  -0.333  1.00  0.00           N  
HETATM   23  O   UNL     1       1.828  -0.490   0.120  1.00  0.00           O  
HETATM   24  O   UNL     1       6.947  -1.293  -0.729  1.00  0.00           O  
HETATM   25  O   UNL     1       6.138   1.267  -0.077  1.00  0.00           O  
HETATM   26  C   UNL     1       7.112   1.228   0.967  1.00  0.00           C  
HETATM   27  C   UNL     1       3.116   2.672  -1.833  1.00  0.00           C  
HETATM   28  O   UNL     1       0.329   1.696   1.017  1.00  0.00           O  
HETATM   29  C   UNL     1       0.546   1.537   2.421  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.823   4.576  -0.930  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.157   4.053  -0.193  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.123   1.344   1.690  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.489  -0.492  -0.136  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.195  -0.007  -1.174  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.618   0.469  -2.132  1.00  0.00           O  
HETATM   36  N   UNL     1      -7.542  -0.050  -1.152  1.00  0.00           N  
HETATM   37  O   UNL     1      -4.187  -1.843   1.713  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.428  -2.371   2.803  1.00  0.00           C  
HETATM   39  C   UNL     1       0.262  -4.518  -1.614  1.00  0.00           C  
HETATM   40  O   UNL     1       1.238  -2.404   1.177  1.00  0.00           O  
HETATM   41  H   UNL     1       5.212  -3.259  -0.722  1.00  0.00           H  
HETATM   42  H   UNL     1       2.965   1.725   1.468  1.00  0.00           H  
HETATM   43  H   UNL     1       4.251   2.502   0.520  1.00  0.00           H  
HETATM   44  H   UNL     1       1.697   1.457  -0.771  1.00  0.00           H  
HETATM   45  H   UNL     1       2.234   3.941   0.788  1.00  0.00           H  
HETATM   46  H   UNL     1       1.486   4.191  -0.800  1.00  0.00           H  
HETATM   47  H   UNL     1       0.063   3.691   1.450  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.665   2.547  -1.281  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.058   2.923   1.277  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.339   1.237  -1.254  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.743  -0.464  -1.275  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.399  -1.316   0.825  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.346  -3.169  -0.745  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.349  -4.353  -1.233  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.994  -2.325   0.760  1.00  0.00           H  
HETATM   56  H   UNL     1       2.943  -3.996  -0.682  1.00  0.00           H  
HETATM   57  H   UNL     1       7.671   0.294   0.909  1.00  0.00           H  
HETATM   58  H   UNL     1       7.797   2.069   0.856  1.00  0.00           H  
HETATM   59  H   UNL     1       6.612   1.292   1.934  1.00  0.00           H  
HETATM   60  H   UNL     1       3.590   1.798  -2.279  1.00  0.00           H  
HETATM   61  H   UNL     1       2.396   3.093  -2.535  1.00  0.00           H  
HETATM   62  H   UNL     1       3.876   3.418  -1.601  1.00  0.00           H  
HETATM   63  H   UNL     1       0.671   0.479   2.652  1.00  0.00           H  
HETATM   64  H   UNL     1       1.444   2.082   2.713  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.311   1.930   2.967  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.504   4.758  -1.592  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.259   4.083  -1.278  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.131   3.861   0.258  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.774   5.009   0.162  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.685   2.304   1.962  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.206   1.446   1.618  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.878   0.603   2.451  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.002  -0.430  -0.387  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.051   0.300  -1.900  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.969  -3.314   2.503  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.649  -1.661   3.081  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.086  -2.542   3.655  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.745  -4.778  -1.939  1.00  0.00           H  
HETATM   79  H   UNL     1       0.819  -4.101  -2.453  1.00  0.00           H  
HETATM   80  H   UNL     1       0.769  -5.412  -1.251  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3   23   23                                       
CONECT    3    2    4    4   22                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6   24   24                                       
CONECT    6    1    1    5   25                                       
CONECT    7    1    8   42   43                                       
CONECT    8    7    9   27   44                                       
CONECT    9    8   10   45   46                                       
CONECT   10    9   11   28   47                                       
CONECT   11   10   12   30   48                                       
CONECT   12   11   13   31   49                                       
CONECT   13   12   14   14   50                                       
CONECT   14   13   13   15   32                                       
CONECT   15   14   16   33   51                                       
CONECT   16   15   17   37   52                                       
CONECT   17   16   18   18   53                                       
CONECT   18   17   17   19   54                                       
CONECT   19   18   20   20   55                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   40   40                                       
CONECT   22    3   21   56                                            
CONECT   23    2    2                                                 
CONECT   24    5    5                                                 
CONECT   25    6   26                                                 
CONECT   26   25   57   58   59                                       
CONECT   27    8   60   61   62                                       
CONECT   28   10   29                                                 
CONECT   29   28   63   64   65                                       
CONECT   30   11   66                                                 
CONECT   31   12   67   68   69                                       
CONECT   32   14   70   71   72                                       
CONECT   33   15   34                                                 
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   73   74                                            
CONECT   37   16   38                                                 
CONECT   38   37   75   76   77                                       
CONECT   39   20   78   79   80                                       
CONECT   40   21   21                                                 
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
