COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.011   1.400   5.595  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.890   1.618   6.616  1.00  0.00           C  
HETATM    3  C   UNL     1       0.405   1.953   5.875  1.00  0.00           C  
HETATM    4  N   UNL     1       0.784   0.834   5.007  1.00  0.00           N  
HETATM    5  C   UNL     1       2.026   1.228   4.328  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.245   0.719   3.969  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.577   0.316   4.604  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.639   0.165   3.513  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.223  -0.871   2.566  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.608  -2.267   2.792  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.486  -0.542   1.487  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.167   0.612   1.300  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.057  -1.609   0.513  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.273  -1.000  -0.563  1.00  0.00           N  
HETATM   15  C   UNL     1       1.096  -0.831  -0.563  1.00  0.00           C  
HETATM   16  C   UNL     1       2.088  -1.141   0.352  1.00  0.00           C  
HETATM   17  C   UNL     1       3.417  -0.837   0.060  1.00  0.00           C  
HETATM   18  C   UNL     1       4.476  -1.165   1.031  1.00  0.00           C  
HETATM   19  O   UNL     1       4.190  -1.700   2.084  1.00  0.00           O  
HETATM   20  O   UNL     1       5.762  -0.873   0.751  1.00  0.00           O  
HETATM   21  C   UNL     1       3.751  -0.220  -1.154  1.00  0.00           C  
HETATM   22  C   UNL     1       2.782   0.088  -2.059  1.00  0.00           C  
HETATM   23  C   UNL     1       1.441  -0.210  -1.781  1.00  0.00           C  
HETATM   24  C   UNL     1       0.236  -0.020  -2.499  1.00  0.00           C  
HETATM   25  C   UNL     1       0.104   0.609  -3.862  1.00  0.00           C  
HETATM   26  C   UNL     1       0.633   2.043  -3.814  1.00  0.00           C  
HETATM   27  C   UNL     1       0.500   2.683  -5.198  1.00  0.00           C  
HETATM   28  C   UNL     1       1.310   1.874  -6.213  1.00  0.00           C  
HETATM   29  C   UNL     1       0.781   0.439  -6.261  1.00  0.00           C  
HETATM   30  C   UNL     1       0.914  -0.199  -4.878  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.779  -0.510  -1.744  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.207  -0.509  -2.126  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.905  -1.712  -2.233  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.238  -1.704  -2.590  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.882  -0.506  -2.842  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.196   0.690  -2.738  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.864   0.696  -2.377  1.00  0.00           C  
HETATM   38  H   UNL     1      -2.917   1.082   6.110  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.202   2.330   5.058  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.750   0.710   7.202  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.155   2.443   7.277  1.00  0.00           H  
HETATM   42  H   UNL     1       1.200   2.135   6.600  1.00  0.00           H  
HETATM   43  H   UNL     1       0.257   2.848   5.270  1.00  0.00           H  
HETATM   44  H   UNL     1       2.829   1.315   5.060  1.00  0.00           H  
HETATM   45  H   UNL     1       2.290   0.474   3.587  1.00  0.00           H  
HETATM   46  H   UNL     1       1.880   2.188   3.833  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.359   1.678   3.464  1.00  0.00           H  
HETATM   48  H   UNL     1       0.054  -0.037   3.243  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.458  -0.631   5.130  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.589  -0.117   3.968  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.756   1.112   2.986  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.210  -2.888   1.989  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.205  -2.605   3.747  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.695  -2.346   2.808  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.450  -2.351   1.031  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.939  -2.092   0.092  1.00  0.00           H  
HETATM   57  H   UNL     1       1.833  -1.616   1.288  1.00  0.00           H  
HETATM   58  H   UNL     1       6.456  -1.088   1.389  1.00  0.00           H  
HETATM   59  H   UNL     1       4.783   0.011  -1.373  1.00  0.00           H  
HETATM   60  H   UNL     1       3.047   0.563  -2.992  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.944   0.618  -4.159  1.00  0.00           H  
HETATM   62  H   UNL     1       0.056   2.619  -3.091  1.00  0.00           H  
HETATM   63  H   UNL     1       1.682   2.034  -3.518  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.548   2.692  -5.494  1.00  0.00           H  
HETATM   65  H   UNL     1       0.877   3.705  -5.164  1.00  0.00           H  
HETATM   66  H   UNL     1       1.215   2.329  -7.199  1.00  0.00           H  
HETATM   67  H   UNL     1       2.359   1.865  -5.917  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.267   0.448  -6.558  1.00  0.00           H  
HETATM   69  H   UNL     1       1.358  -0.136  -6.985  1.00  0.00           H  
HETATM   70  H   UNL     1       1.963  -0.208  -4.581  1.00  0.00           H  
HETATM   71  H   UNL     1       0.537  -1.221  -4.912  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.404  -2.648  -2.037  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.779  -2.635  -2.673  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.925  -0.505  -3.122  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.705   1.622  -2.936  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.330   1.631  -2.296  1.00  0.00           H  
CONECT    1    2    7   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    4   42   43                                       
CONECT    4    3    5    6                                            
CONECT    5    4   44   45   46                                       
CONECT    6    4    7   47   48                                       
CONECT    7    1    6    8   49                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8   10   11                                            
CONECT   10    9   52   53   54                                       
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   55   56                                       
CONECT   14   13   15   31                                            
CONECT   15   14   16   16   23                                       
CONECT   16   15   15   17   57                                       
CONECT   17   16   18   21   21                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   58                                                 
CONECT   21   17   17   22   59                                       
CONECT   22   21   23   23   60                                       
CONECT   23   15   22   22   24                                       
CONECT   24   23   25   31   31                                       
CONECT   25   24   26   30   61                                       
CONECT   26   25   27   62   63                                       
CONECT   27   26   28   64   65                                       
CONECT   28   27   29   66   67                                       
CONECT   29   28   30   68   69                                       
CONECT   30   25   29   70   71                                       
CONECT   31   14   24   24   32                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   72                                       
CONECT   34   33   35   35   73                                       
CONECT   35   34   34   36   74                                       
CONECT   36   35   37   37   75                                       
CONECT   37   32   36   36   76                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
