COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.143   1.270  -0.196  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.410   0.610  -0.750  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.565   0.892   0.162  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.566  -0.081   0.218  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.771   1.982   0.947  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.919   2.078   1.734  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.913   1.110   1.784  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.731  -0.021   0.990  1.00  0.00           C  
HETATM    9  N   UNL     1      -8.405  -1.175   0.725  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.694  -1.952  -0.177  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.569  -1.345  -0.520  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.401  -1.659  -1.420  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.179  -0.895  -0.891  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.039  -1.138  -1.786  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.874  -2.573  -2.049  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.804  -0.556  -1.246  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.966   0.961  -1.125  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.706   1.559  -0.556  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.744   2.175   0.488  1.00  0.00           O  
HETATM   20  N   UNL     1       0.465   1.408  -1.206  1.00  0.00           N  
HETATM   21  C   UNL     1       1.691   1.988  -0.652  1.00  0.00           C  
HETATM   22  C   UNL     1       1.552   3.509  -0.557  1.00  0.00           C  
HETATM   23  O   UNL     1       2.812   1.649  -1.480  1.00  0.00           O  
HETATM   24  C   UNL     1       1.965   1.408   0.715  1.00  0.00           C  
HETATM   25  O   UNL     1       1.204   1.418   1.659  1.00  0.00           O  
HETATM   26  N   UNL     1       3.201   0.877   0.701  1.00  0.00           N  
HETATM   27  C   UNL     1       3.655   0.812  -0.699  1.00  0.00           C  
HETATM   28  O   UNL     1       3.572  -0.535  -1.172  1.00  0.00           O  
HETATM   29  C   UNL     1       5.110   1.276  -0.715  1.00  0.00           C  
HETATM   30  C   UNL     1       5.754   1.088  -2.097  1.00  0.00           C  
HETATM   31  C   UNL     1       7.228   0.767  -1.719  1.00  0.00           C  
HETATM   32  C   UNL     1       7.050  -0.108  -0.455  1.00  0.00           C  
HETATM   33  N   UNL     1       5.837   0.382   0.211  1.00  0.00           N  
HETATM   34  C   UNL     1       5.375   0.034   1.428  1.00  0.00           C  
HETATM   35  O   UNL     1       6.069  -0.623   2.176  1.00  0.00           O  
HETATM   36  C   UNL     1       3.992   0.458   1.861  1.00  0.00           C  
HETATM   37  C   UNL     1       3.294  -0.715   2.552  1.00  0.00           C  
HETATM   38  C   UNL     1       3.094  -1.834   1.563  1.00  0.00           C  
HETATM   39  C   UNL     1       4.113  -2.736   1.324  1.00  0.00           C  
HETATM   40  C   UNL     1       3.930  -3.763   0.417  1.00  0.00           C  
HETATM   41  C   UNL     1       2.726  -3.887  -0.252  1.00  0.00           C  
HETATM   42  C   UNL     1       1.707  -2.984  -0.013  1.00  0.00           C  
HETATM   43  C   UNL     1       1.888  -1.961   0.898  1.00  0.00           C  
HETATM   44  H   UNL     1      -3.290   2.348  -0.140  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.934   0.878   0.799  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.624   1.019  -1.737  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.042   2.779   0.962  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.041   2.960   2.343  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.787   1.229   2.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.260  -1.418   1.113  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.013  -2.916  -0.547  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.202  -2.730  -1.405  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.624  -1.339  -2.438  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.922  -1.296   0.090  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.777  -2.963  -2.520  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.024  -2.725  -2.715  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.698  -3.098  -1.110  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.602  -0.979  -0.262  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.974  -0.780  -1.916  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.159   1.386  -2.110  1.00  0.00           H  
HETATM   61  H   UNL     1       0.496   0.914  -2.041  1.00  0.00           H  
HETATM   62  H   UNL     1       0.720   3.757   0.103  1.00  0.00           H  
HETATM   63  H   UNL     1       2.472   3.933  -0.155  1.00  0.00           H  
HETATM   64  H   UNL     1       1.365   3.920  -1.548  1.00  0.00           H  
HETATM   65  H   UNL     1       2.681  -0.908  -1.140  1.00  0.00           H  
HETATM   66  H   UNL     1       5.183   2.312  -0.384  1.00  0.00           H  
HETATM   67  H   UNL     1       5.297   0.254  -2.630  1.00  0.00           H  
HETATM   68  H   UNL     1       5.692   2.004  -2.685  1.00  0.00           H  
HETATM   69  H   UNL     1       7.721   0.208  -2.514  1.00  0.00           H  
HETATM   70  H   UNL     1       7.778   1.679  -1.487  1.00  0.00           H  
HETATM   71  H   UNL     1       6.926  -1.154  -0.737  1.00  0.00           H  
HETATM   72  H   UNL     1       7.911   0.004   0.204  1.00  0.00           H  
HETATM   73  H   UNL     1       4.073   1.290   2.561  1.00  0.00           H  
HETATM   74  H   UNL     1       3.910  -1.067   3.379  1.00  0.00           H  
HETATM   75  H   UNL     1       2.326  -0.389   2.932  1.00  0.00           H  
HETATM   76  H   UNL     1       5.053  -2.639   1.847  1.00  0.00           H  
HETATM   77  H   UNL     1       4.726  -4.468   0.230  1.00  0.00           H  
HETATM   78  H   UNL     1       2.583  -4.689  -0.961  1.00  0.00           H  
HETATM   79  H   UNL     1       0.766  -3.081  -0.536  1.00  0.00           H  
HETATM   80  H   UNL     1       1.090  -1.258   1.087  1.00  0.00           H  
CONECT    1   17    2   44   45                                       
CONECT    2   13    1    3   46                                       
CONECT    3    2    4    4    5                                       
CONECT    4   11    3    3    8                                       
CONECT    5    3    6    6   47                                       
CONECT    6    5    5    7   48                                       
CONECT    7    8    8    6   49                                       
CONECT    8    4    9    7    7                                       
CONECT    9   10    8   50                                            
CONECT   10   11   11    9   51                                       
CONECT   11   12   10   10    4                                       
CONECT   12   13   11   52   53                                       
CONECT   13   14   12    2   54                                       
CONECT   14   16   15   13                                            
CONECT   15   14   55   56   57                                       
CONECT   16   14   17   58   59                                       
CONECT   17   16   18    1   60                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   61                                            
CONECT   21   22   23   20   24                                       
CONECT   22   21   62   63   64                                       
CONECT   23   21   27                                                 
CONECT   24   21   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   36                                            
CONECT   27   23   29   28   26                                       
CONECT   28   27   65                                                 
CONECT   29   30   27   33   66                                       
CONECT   30   31   29   67   68                                       
CONECT   31   30   32   69   70                                       
CONECT   32   31   33   71   72                                       
CONECT   33   29   32   34                                            
CONECT   34   33   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   26   34   37   73                                       
CONECT   37   36   38   74   75                                       
CONECT   38   37   39   39   43                                       
CONECT   39   38   38   40   76                                       
CONECT   40   39   41   41   77                                       
CONECT   41   40   40   42   78                                       
CONECT   42   43   43   41   79                                       
CONECT   43   38   42   42   80                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
