COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.581   0.759  -0.561  1.00  0.00           C  
HETATM    2  C   UNL     1       2.233   1.050  -0.500  1.00  0.00           C  
HETATM    3  C   UNL     1       1.320   0.032  -0.223  1.00  0.00           C  
HETATM    4  C   UNL     1       1.760  -1.283   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.411  -4.242  -0.174  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.669  -3.942   1.863  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.565  -5.318  -0.016  1.00  0.00           C  
HETATM    8  C   UNL     1       1.750   2.459  -0.730  1.00  0.00           C  
HETATM    9  C   UNL     1       1.578   3.154   0.597  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.731   4.845  -0.263  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.313   2.639  -0.093  1.00  0.00           C  
HETATM   12  C   UNL     1       7.863  -3.710  -0.203  1.00  0.00           C  
HETATM   13  C   UNL     1       8.031  -2.720   0.952  1.00  0.00           C  
HETATM   14  C   UNL     1       7.258  -2.308  -0.303  1.00  0.00           C  
HETATM   15  C   UNL     1       3.120  -1.560  -0.070  1.00  0.00           C  
HETATM   16  C   UNL     1       4.022  -0.549  -0.353  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.734  -4.084   0.341  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.387  -2.859  -0.244  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.646  -1.803  -0.574  1.00  0.00           C  
HETATM   20  C   UNL     1       2.886   5.006  -0.308  1.00  0.00           C  
HETATM   21  C   UNL     1       2.101   4.936   2.181  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.163   3.643   0.115  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.965   2.515   0.203  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.384   1.186   0.612  1.00  0.00           C  
HETATM   25  C   UNL     1       5.737  -2.186  -0.187  1.00  0.00           C  
HETATM   26  O   UNL     1       0.888  -2.270   0.287  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.437  -2.139   0.068  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.012  -0.873  -0.150  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.130   0.308  -0.159  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.247  -3.269   0.056  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.606  -3.149  -0.157  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.186  -1.883  -0.360  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.391  -0.742  -0.357  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.570   1.443  -0.116  1.00  0.00           O  
HETATM   35  O   UNL     1       4.478   1.746  -0.829  1.00  0.00           O  
HETATM   36  C   UNL     1       5.015   2.456   0.289  1.00  0.00           C  
HETATM   37  O   UNL     1       5.349  -0.831  -0.419  1.00  0.00           O  
HETATM   38  C   UNL     1       2.159   4.307   0.812  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.943   0.482  -0.551  1.00  0.00           O  
HETATM   40  N   UNL     1      -5.020   4.927  -0.531  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.812   3.876  -0.458  1.00  0.00           C  
HETATM   42  H   UNL     1      -4.206  -4.831   2.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.077  -3.064   2.122  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.677  -3.831   2.261  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.573  -5.205   0.384  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.613  -5.422  -1.100  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.101  -6.205   0.414  1.00  0.00           H  
HETATM   48  H   UNL     1       2.481   3.000  -1.331  1.00  0.00           H  
HETATM   49  H   UNL     1       0.795   2.435  -1.254  1.00  0.00           H  
HETATM   50  H   UNL     1       0.975   2.700   1.369  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.114   5.728  -0.334  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.967   1.782  -0.034  1.00  0.00           H  
HETATM   53  H   UNL     1       8.741  -3.924  -0.813  1.00  0.00           H  
HETATM   54  H   UNL     1       7.179  -4.545  -0.054  1.00  0.00           H  
HETATM   55  H   UNL     1       7.456  -2.904   1.860  1.00  0.00           H  
HETATM   56  H   UNL     1       9.018  -2.282   1.101  1.00  0.00           H  
HETATM   57  H   UNL     1       7.736  -1.600  -0.979  1.00  0.00           H  
HETATM   58  H   UNL     1       3.474  -2.568   0.093  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.456  -2.838  -0.395  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.099  -0.913  -0.986  1.00  0.00           H  
HETATM   61  H   UNL     1       2.213   5.130  -1.156  1.00  0.00           H  
HETATM   62  H   UNL     1       3.225   5.984   0.033  1.00  0.00           H  
HETATM   63  H   UNL     1       3.746   4.409  -0.611  1.00  0.00           H  
HETATM   64  H   UNL     1       2.954   4.602   2.770  1.00  0.00           H  
HETATM   65  H   UNL     1       2.129   6.022   2.083  1.00  0.00           H  
HETATM   66  H   UNL     1       1.177   4.640   2.678  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.108   3.583   0.338  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.538   1.349   1.280  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.145   0.599   1.125  1.00  0.00           H  
HETATM   70  H   UNL     1       5.263  -2.832  -0.927  1.00  0.00           H  
HETATM   71  H   UNL     1       5.423  -2.488   0.812  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.812  -4.244   0.215  1.00  0.00           H  
HETATM   73  H   UNL     1       5.715   3.213  -0.064  1.00  0.00           H  
HETATM   74  H   UNL     1       4.204   2.938   0.836  1.00  0.00           H  
HETATM   75  H   UNL     1       5.533   1.760   0.948  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.861   3.981  -0.690  1.00  0.00           H  
CONECT    1   16   16    2   35                                       
CONECT    2    3    3    1    8                                       
CONECT    3    4   29    2    2                                       
CONECT    4   26   15   15    3                                       
CONECT    5   17   31                                                 
CONECT    6   17   42   43   44                                       
CONECT    7   17   45   46   47                                       
CONECT    8    2    9   48   49                                       
CONECT    9    8   38   38   50                                       
CONECT   10   22   22   40   51                                       
CONECT   11   23   23   41   52                                       
CONECT   12   13   14   53   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   12   13   25   57                                       
CONECT   15    4    4   16   58                                       
CONECT   16   15   37    1    1                                       
CONECT   17    7    6    5   18                                       
CONECT   18   17   19   19   59                                       
CONECT   19   18   18   32   60                                       
CONECT   20   38   61   62   63                                       
CONECT   21   38   64   65   66                                       
CONECT   22   23   10   10   67                                       
CONECT   23   24   11   11   22                                       
CONECT   24   39   23   68   69                                       
CONECT   25   14   37   70   71                                       
CONECT   26   27    4                                                 
CONECT   27   30   26   28   28                                       
CONECT   28   27   27   33   29                                       
CONECT   29   28    3   34   34                                       
CONECT   30   31   31   27   72                                       
CONECT   31    5   30   30   32                                       
CONECT   32   31   19   33   33                                       
CONECT   33   32   32   28   39                                       
CONECT   34   29   29                                                 
CONECT   35    1   36                                                 
CONECT   36   35   73   74   75                                       
CONECT   37   25   16                                                 
CONECT   38    9    9   20   21                                       
CONECT   39   33   24                                                 
CONECT   40   41   41   10                                            
CONECT   41   11   40   40   76                                       
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   30                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
