COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.378  -2.937  -1.251  1.00  0.00           C  
HETATM    2  C   UNL     1       4.113  -0.702  -0.484  1.00  0.00           C  
HETATM    3  C   UNL     1       5.138  -1.654   0.076  1.00  0.00           C  
HETATM    4  C   UNL     1       6.286  -1.814  -0.923  1.00  0.00           C  
HETATM    5  C   UNL     1       9.311  -3.878  -0.610  1.00  0.00           C  
HETATM    6  C   UNL     1      10.055  -4.628  -0.098  1.00  0.00           C  
HETATM    7  O   UNL     1       4.284  -0.200  -1.575  1.00  0.00           O  
HETATM    8  O   UNL     1       7.258  -2.717  -0.391  1.00  0.00           O  
HETATM    9  N   UNL     1       3.007  -0.407   0.228  1.00  0.00           N  
HETATM   10  C   UNL     1       2.011   0.518  -0.317  1.00  0.00           C  
HETATM   11  C   UNL     1       0.667   0.230   0.301  1.00  0.00           C  
HETATM   12  O   UNL     1       0.552  -0.660   1.115  1.00  0.00           O  
HETATM   13  C   UNL     1       2.422   1.957   0.004  1.00  0.00           C  
HETATM   14  C   UNL     1       3.706   2.285  -0.714  1.00  0.00           C  
HETATM   15  C   UNL     1       4.922   2.040  -0.103  1.00  0.00           C  
HETATM   16  C   UNL     1       3.668   2.825  -1.986  1.00  0.00           C  
HETATM   17  C   UNL     1       6.099   2.336  -0.764  1.00  0.00           C  
HETATM   18  C   UNL     1       4.845   3.125  -2.645  1.00  0.00           C  
HETATM   19  C   UNL     1       6.061   2.876  -2.036  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.408   0.963  -0.052  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.714   0.683   0.548  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.805   1.149  -0.382  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.519   1.664  -1.442  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.832   1.423   1.882  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.820   0.871   2.853  1.00  0.00           C  
HETATM   26  C   UNL     1       0.445   1.424   2.922  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.159  -0.184   3.679  1.00  0.00           C  
HETATM   28  C   UNL     1       1.373   0.917   3.813  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.232  -0.690   4.570  1.00  0.00           C  
HETATM   30  C   UNL     1       1.036  -0.142   4.634  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.158   1.445  -0.940  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.435   0.647  -0.669  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.423   2.911  -0.710  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.213   3.702  -1.721  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.202  -0.823  -1.022  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.479  -1.621  -0.751  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.250  -3.926  -0.930  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.098   0.993  -0.036  1.00  0.00           N  
HETATM   39  N   UNL     1      -7.256  -3.029  -1.089  1.00  0.00           N  
HETATM   40  N   UNL     1      -8.045  -5.221  -1.241  1.00  0.00           N  
HETATM   41  O   UNL     1      -5.003   3.451   0.285  1.00  0.00           O  
HETATM   42  O   UNL     1      -9.331  -3.566  -0.506  1.00  0.00           O  
HETATM   43  H   UNL     1       8.885  -1.991  -1.436  1.00  0.00           H  
HETATM   44  H   UNL     1       8.033  -3.355  -2.197  1.00  0.00           H  
HETATM   45  H   UNL     1       5.526  -1.259   1.015  1.00  0.00           H  
HETATM   46  H   UNL     1       4.674  -2.624   0.254  1.00  0.00           H  
HETATM   47  H   UNL     1       5.898  -2.209  -1.862  1.00  0.00           H  
HETATM   48  H   UNL     1       6.750  -0.844  -1.101  1.00  0.00           H  
HETATM   49  H   UNL     1      10.721  -5.299   0.359  1.00  0.00           H  
HETATM   50  H   UNL     1       2.871  -0.809   1.100  1.00  0.00           H  
HETATM   51  H   UNL     1       1.949   0.391  -1.398  1.00  0.00           H  
HETATM   52  H   UNL     1       1.638   2.640  -0.322  1.00  0.00           H  
HETATM   53  H   UNL     1       2.571   2.061   1.079  1.00  0.00           H  
HETATM   54  H   UNL     1       4.951   1.618   0.891  1.00  0.00           H  
HETATM   55  H   UNL     1       2.718   3.012  -2.465  1.00  0.00           H  
HETATM   56  H   UNL     1       7.049   2.141  -0.289  1.00  0.00           H  
HETATM   57  H   UNL     1       4.815   3.546  -3.639  1.00  0.00           H  
HETATM   58  H   UNL     1       6.981   3.107  -2.553  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.316   1.676  -0.704  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.814  -0.389   0.717  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.644   2.485   1.726  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.835   1.287   2.286  1.00  0.00           H  
HETATM   63  H   UNL     1       0.708   2.251   2.280  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.149  -0.613   3.628  1.00  0.00           H  
HETATM   65  H   UNL     1       2.362   1.349   3.866  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.497  -1.515   5.216  1.00  0.00           H  
HETATM   67  H   UNL     1       1.761  -0.538   5.330  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.845   1.291  -1.973  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.698   0.731   0.385  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.247   1.043  -1.279  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.207   3.268  -1.825  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.301   4.735  -1.385  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.701   3.675  -2.683  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.939  -0.906  -2.077  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.390  -1.219  -0.412  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.743  -1.538   0.304  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.292  -1.225  -1.360  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.327   0.581   0.812  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.394  -3.316  -1.427  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.760  -5.866  -1.126  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.182  -5.508  -1.579  1.00  0.00           H  
CONECT    1    8    5   43   44                                       
CONECT    2    9    3    7    7                                       
CONECT    3    2    4   45   46                                       
CONECT    4    8    3   47   48                                       
CONECT    5    1    6    6    6                                       
CONECT    6    5    5    5   49                                       
CONECT    7    2    2                                                 
CONECT    8    1    4                                                 
CONECT    9   10    2   50                                            
CONECT   10   13   11    9   51                                       
CONECT   11   12   12   10   20                                       
CONECT   12   11   11                                                 
CONECT   13   14   10   53   52                                       
CONECT   14   15   15   16   13                                       
CONECT   15   17   14   14   54                                       
CONECT   16   18   18   14   55                                       
CONECT   17   19   19   15   56                                       
CONECT   18   19   16   16   57                                       
CONECT   19   17   17   18   58                                       
CONECT   20   11   21   59                                            
CONECT   21   24   20   22   60                                       
CONECT   22   21   38   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   25   21   62   61                                       
CONECT   25   26   26   27   24                                       
CONECT   26   28   25   25   63                                       
CONECT   27   29   29   25   64                                       
CONECT   28   30   30   26   65                                       
CONECT   29   30   27   27   66                                       
CONECT   30   28   28   29   67                                       
CONECT   31   38   33   32   68                                       
CONECT   32   31   35   69   70                                       
CONECT   33   34   31   41   41                                       
CONECT   34   33   71   72   73                                       
CONECT   35   32   36   74   75                                       
CONECT   36   35   39   76   77                                       
CONECT   37   39   40   42   42                                       
CONECT   38   22   31   78                                            
CONECT   39   36   37   79                                            
CONECT   40   37   80   81                                            
CONECT   41   33   33                                                 
CONECT   42   37   37                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
