COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.907   1.485  -1.516  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.721   1.187  -0.923  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.497  -0.085  -0.418  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.292  -0.386   0.185  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.731   2.154  -0.825  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.527   1.849  -0.221  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.308   0.581   0.287  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.994   0.251   0.946  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.571   1.357   1.746  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.122   1.363   3.065  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.942  -0.032  -0.128  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.643  -0.491   0.538  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.632  -0.893  -0.537  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.334  -1.352   0.129  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.597  -2.627   0.934  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.282  -1.635  -0.945  1.00  0.00           C  
HETATM   17  C   UNL     1       1.029  -2.060  -0.301  1.00  0.00           C  
HETATM   18  C   UNL     1       1.201  -1.322   1.028  1.00  0.00           C  
HETATM   19  C   UNL     1       1.281  -3.535  -0.090  1.00  0.00           C  
HETATM   20  C   UNL     1       2.611  -3.675   0.669  1.00  0.00           C  
HETATM   21  C   UNL     1       3.772  -3.050  -0.102  1.00  0.00           C  
HETATM   22  C   UNL     1       0.052  -0.338  -1.727  1.00  0.00           C  
HETATM   23  C   UNL     1       1.585  -0.122  -1.580  1.00  0.00           C  
HETATM   24  C   UNL     1       2.101  -1.539  -1.300  1.00  0.00           C  
HETATM   25  C   UNL     1       3.411  -1.650  -0.578  1.00  0.00           C  
HETATM   26  C   UNL     1       4.200  -0.602  -0.370  1.00  0.00           C  
HETATM   27  C   UNL     1       5.475  -0.772   0.345  1.00  0.00           C  
HETATM   28  C   UNL     1       6.214   0.291   0.647  1.00  0.00           C  
HETATM   29  C   UNL     1       7.587   0.124   1.256  1.00  0.00           C  
HETATM   30  C   UNL     1       8.604   0.869   0.382  1.00  0.00           C  
HETATM   31  O   UNL     1       8.766   0.179  -0.859  1.00  0.00           O  
HETATM   32  C   UNL     1       5.698   1.687   0.382  1.00  0.00           C  
HETATM   33  C   UNL     1       6.719   2.428  -0.491  1.00  0.00           C  
HETATM   34  O   UNL     1       6.381   3.815  -0.551  1.00  0.00           O  
HETATM   35  C   UNL     1       8.086   2.265   0.122  1.00  0.00           C  
HETATM   36  C   UNL     1       8.812   3.314   0.419  1.00  0.00           C  
HETATM   37  H   UNL     1     -11.578   1.823  -0.908  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.265  -0.841  -0.496  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.117  -1.376   0.579  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.901   3.144  -1.221  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.755   2.601  -0.145  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.115  -0.629   1.577  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.824   2.278   3.578  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.209   1.318   3.005  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.752   0.500   3.618  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.304  -0.815  -0.795  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.754   0.876  -0.702  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.234   0.323   1.136  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.848  -1.347   1.182  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.042  -1.708  -1.135  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.427  -0.038  -1.181  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.971  -0.570   0.796  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.959  -3.409   0.268  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.672  -2.954   1.409  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.346  -2.425   1.699  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.636  -2.408  -1.627  1.00  0.00           H  
HETATM   57  H   UNL     1       0.456  -1.678   1.740  1.00  0.00           H  
HETATM   58  H   UNL     1       2.200  -1.512   1.423  1.00  0.00           H  
HETATM   59  H   UNL     1       1.071  -0.252   0.870  1.00  0.00           H  
HETATM   60  H   UNL     1       0.471  -3.967   0.498  1.00  0.00           H  
HETATM   61  H   UNL     1       1.348  -4.040  -1.053  1.00  0.00           H  
HETATM   62  H   UNL     1       2.521  -3.181   1.637  1.00  0.00           H  
HETATM   63  H   UNL     1       2.819  -4.733   0.828  1.00  0.00           H  
HETATM   64  H   UNL     1       4.645  -2.994   0.548  1.00  0.00           H  
HETATM   65  H   UNL     1       4.006  -3.673  -0.965  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.210  -0.457  -2.778  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.488   0.506  -1.300  1.00  0.00           H  
HETATM   68  H   UNL     1       2.012   0.268  -2.504  1.00  0.00           H  
HETATM   69  H   UNL     1       1.803   0.541  -0.743  1.00  0.00           H  
HETATM   70  H   UNL     1       2.104  -2.135  -2.212  1.00  0.00           H  
HETATM   71  H   UNL     1       3.906   0.375  -0.725  1.00  0.00           H  
HETATM   72  H   UNL     1       5.810  -1.760   0.624  1.00  0.00           H  
HETATM   73  H   UNL     1       7.594   0.543   2.263  1.00  0.00           H  
HETATM   74  H   UNL     1       7.843  -0.934   1.299  1.00  0.00           H  
HETATM   75  H   UNL     1       9.562   0.922   0.899  1.00  0.00           H  
HETATM   76  H   UNL     1       9.396   0.596  -1.462  1.00  0.00           H  
HETATM   77  H   UNL     1       4.743   1.631  -0.140  1.00  0.00           H  
HETATM   78  H   UNL     1       5.569   2.215   1.327  1.00  0.00           H  
HETATM   79  H   UNL     1       6.716   2.007  -1.496  1.00  0.00           H  
HETATM   80  H   UNL     1       6.987   4.345  -1.088  1.00  0.00           H  
HETATM   81  H   UNL     1       8.433   4.306   0.224  1.00  0.00           H  
HETATM   82  H   UNL     1       9.791   3.187   0.858  1.00  0.00           H  
CONECT    1    2   37                                                 
CONECT    2    3    3    5    1                                       
CONECT    3    4    2    2   38                                       
CONECT    4    7    7    3   39                                       
CONECT    5    6    6    2   40                                       
CONECT    6    7    5    5   41                                       
CONECT    7    8    4    4    6                                       
CONECT    8    9   11    7   42                                       
CONECT    9   10    8                                                 
CONECT   10    9   43   44   45                                       
CONECT   11   12    8   46   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   16   15   52                                       
CONECT   15   14   53   54   55                                       
CONECT   16   22   17   14   56                                       
CONECT   17   18   24   16   19                                       
CONECT   18   17   57   58   59                                       
CONECT   19   17   20   60   61                                       
CONECT   20   21   19   62   63                                       
CONECT   21   25   20   64   65                                       
CONECT   22   23   16   66   67                                       
CONECT   23   24   22   68   69                                       
CONECT   24   25   23   17   70                                       
CONECT   25   26   26   24   21                                       
CONECT   26   27   25   25   71                                       
CONECT   27   28   28   26   72                                       
CONECT   28   32   29   27   27                                       
CONECT   29   30   28   73   74                                       
CONECT   30   35   31   29   75                                       
CONECT   31   30   76                                                 
CONECT   32   33   28   77   78                                       
CONECT   33   34   35   32   79                                       
CONECT   34   33   80                                                 
CONECT   35   36   36   33   30                                       
CONECT   36   35   35   81   82                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
