COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.618  -6.383   2.616  1.00  0.00           O  
HETATM    2  O   UNL     1       9.375  -1.894  -1.056  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.359  -4.337   2.233  1.00  0.00           O  
HETATM    4  O   UNL     1       9.266   0.016  -2.181  1.00  0.00           O  
HETATM    5  C   UNL     1     -10.157  -1.327  -1.749  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.915  -0.909  -0.454  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.307  -0.942  -2.770  1.00  0.00           C  
HETATM    8  C   UNL     1       3.644   4.748   1.793  1.00  0.00           C  
HETATM    9  C   UNL     1       2.516   5.484   1.483  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.826  -0.104  -0.179  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.221  -0.132  -2.496  1.00  0.00           C  
HETATM   12  C   UNL     1       3.591   3.366   1.801  1.00  0.00           C  
HETATM   13  C   UNL     1       1.331   4.840   1.181  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.151   1.583   1.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.543   1.550  -1.291  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.058   2.384   1.300  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.447   2.347  -1.015  1.00  0.00           C  
HETATM   18  C   UNL     1       5.236  -2.246  -0.715  1.00  0.00           C  
HETATM   19  C   UNL     1       5.047  -0.188  -1.936  1.00  0.00           C  
HETATM   20  C   UNL     1       6.611  -2.178  -0.799  1.00  0.00           C  
HETATM   21  C   UNL     1       6.421  -0.102  -2.019  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.145  -3.190   1.334  1.00  0.00           C  
HETATM   23  C   UNL     1       1.232  -2.733   0.847  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.080  -4.666   1.733  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.790   1.161  -0.900  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.579   0.286  -0.570  1.00  0.00           C  
HETATM   27  C   UNL     1       2.351   1.212   1.514  1.00  0.00           C  
HETATM   28  C   UNL     1       1.167  -1.257   0.448  1.00  0.00           C  
HETATM   29  C   UNL     1       2.571   0.684   0.095  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.016   3.639   0.580  1.00  0.00           C  
HETATM   31  C   UNL     1       2.953  -1.335  -1.185  1.00  0.00           C  
HETATM   32  O   UNL     1       0.112   2.818   0.891  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.436  -5.116   2.212  1.00  0.00           C  
HETATM   34  C   UNL     1       8.687  -1.023  -1.548  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.977   0.282  -1.200  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.391   1.164  -0.271  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.206   2.766   0.280  1.00  0.00           C  
HETATM   38  C   UNL     1       4.455  -1.254  -1.281  1.00  0.00           C  
HETATM   39  C   UNL     1       7.215  -1.102  -1.454  1.00  0.00           C  
HETATM   40  C   UNL     1       2.408   2.718   1.505  1.00  0.00           C  
HETATM   41  C   UNL     1       1.275   3.454   1.188  1.00  0.00           C  
HETATM   42  N   UNL     1       2.515  -0.784   0.104  1.00  0.00           N  
HETATM   43  H   UNL     1      -2.505  -6.625   2.916  1.00  0.00           H  
HETATM   44  H   UNL     1      10.233   0.025  -2.217  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.006  -1.959  -1.963  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.579  -1.210   0.343  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.493  -1.273  -3.781  1.00  0.00           H  
HETATM   48  H   UNL     1       4.570   5.253   2.024  1.00  0.00           H  
HETATM   49  H   UNL     1       2.560   6.563   1.477  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.638   0.223   0.832  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.558   0.170  -3.293  1.00  0.00           H  
HETATM   52  H   UNL     1       4.475   2.794   2.040  1.00  0.00           H  
HETATM   53  H   UNL     1       0.449   5.415   0.939  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.814   1.281   1.821  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.731   1.223  -2.303  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.870   2.712   2.312  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.779   2.641  -1.811  1.00  0.00           H  
HETATM   58  H   UNL     1       4.768  -3.077  -0.209  1.00  0.00           H  
HETATM   59  H   UNL     1       4.431   0.585  -2.372  1.00  0.00           H  
HETATM   60  H   UNL     1       7.220  -2.955  -0.360  1.00  0.00           H  
HETATM   61  H   UNL     1       6.882   0.737  -2.520  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.442  -2.593   2.197  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.874  -3.061   0.535  1.00  0.00           H  
HETATM   64  H   UNL     1       1.961  -2.862   1.646  1.00  0.00           H  
HETATM   65  H   UNL     1       1.529  -3.329  -0.015  1.00  0.00           H  
HETATM   66  H   UNL     1       0.217  -5.262   0.870  1.00  0.00           H  
HETATM   67  H   UNL     1       0.649  -4.794   2.532  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.018   1.802  -0.049  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.566   1.778  -1.771  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.803  -0.331   0.300  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.351  -0.355  -1.422  1.00  0.00           H  
HETATM   72  H   UNL     1       1.375   0.888   1.875  1.00  0.00           H  
HETATM   73  H   UNL     1       3.129   0.823   2.171  1.00  0.00           H  
HETATM   74  H   UNL     1       0.511  -1.142  -0.414  1.00  0.00           H  
HETATM   75  H   UNL     1       0.779  -0.672   1.282  1.00  0.00           H  
HETATM   76  H   UNL     1       1.793   1.074  -0.562  1.00  0.00           H  
HETATM   77  H   UNL     1       3.547   1.009  -0.266  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.242   4.283   1.431  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.788   4.255  -0.290  1.00  0.00           H  
HETATM   80  H   UNL     1       2.506  -0.762  -1.997  1.00  0.00           H  
HETATM   81  H   UNL     1       2.640  -2.376  -1.260  1.00  0.00           H  
CONECT    1   33   43                                                 
CONECT    2   34   34                                                 
CONECT    3   33   33                                                 
CONECT    4   34   44                                                 
CONECT    5    6    6    7   45                                       
CONECT    6    5    5   10   46                                       
CONECT    7    5   11   11   47                                       
CONECT    8    9    9   12   48                                       
CONECT    9    8    8   13   49                                       
CONECT   10    6   35   35   50                                       
CONECT   11    7    7   35   51                                       
CONECT   12    8   40   40   52                                       
CONECT   13    9   41   41   53                                       
CONECT   14   16   16   36   54                                       
CONECT   15   17   36   36   55                                       
CONECT   16   14   14   37   56                                       
CONECT   17   15   37   37   57                                       
CONECT   18   38   38   20   58                                       
CONECT   19   38   21   21   59                                       
CONECT   20   18   39   39   60                                       
CONECT   21   19   19   39   61                                       
CONECT   22   23   24   62   63                                       
CONECT   23   22   28   64   65                                       
CONECT   24   22   33   66   67                                       
CONECT   25   26   35   68   69                                       
CONECT   26   25   36   70   71                                       
CONECT   27   40   29   72   73                                       
CONECT   28   23   42   74   75                                       
CONECT   29   27   42   76   77                                       
CONECT   30   32   37   78   79                                       
CONECT   31   42   38   80   81                                       
CONECT   32   30   41                                                 
CONECT   33    1    3    3   24                                       
CONECT   34    2    2    4   39                                       
CONECT   35   10   10   11   25                                       
CONECT   36   14   15   15   26                                       
CONECT   37   16   17   17   30                                       
CONECT   38   18   18   19   31                                       
CONECT   39   20   20   21   34                                       
CONECT   40   12   12   27   41                                       
CONECT   41   13   13   32   40                                       
CONECT   42   28   29   31                                            
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
