COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.973  -3.072   0.864  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.532  -4.332   0.954  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.736  -5.081  -0.190  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.381  -4.569  -1.424  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.822  -3.308  -1.514  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.617  -2.559  -0.370  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.008  -1.184  -0.468  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.563  -1.287  -0.365  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.863  -0.139  -0.435  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.443   0.919  -0.577  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.518  -0.164  -0.346  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.756   1.085  -0.421  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.689   1.726   0.966  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.075   2.131   1.400  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.866   1.241   2.103  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.136   1.612   2.501  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.616   2.872   2.196  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.825   3.762   1.494  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.552   3.392   1.099  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.360   0.793  -0.907  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.034  -0.347  -1.165  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.474   1.797  -1.055  1.00  0.00           N  
HETATM   23  C   UNL     1       0.884   1.513  -1.528  1.00  0.00           C  
HETATM   24  C   UNL     1       1.277   2.536  -2.595  1.00  0.00           C  
HETATM   25  C   UNL     1       2.631   2.153  -3.195  1.00  0.00           C  
HETATM   26  C   UNL     1       0.217   2.554  -3.699  1.00  0.00           C  
HETATM   27  P   UNL     1       2.048   1.616  -0.129  1.00  0.00           P  
HETATM   28  O   UNL     1       1.565   0.763   0.979  1.00  0.00           O  
HETATM   29  O   UNL     1       2.149   3.143   0.373  1.00  0.00           O  
HETATM   30  C   UNL     1       3.694   1.042  -0.664  1.00  0.00           C  
HETATM   31  C   UNL     1       4.510   0.621   0.559  1.00  0.00           C  
HETATM   32  C   UNL     1       4.979   1.849   1.296  1.00  0.00           C  
HETATM   33  O   UNL     1       5.718   1.721   2.410  1.00  0.00           O  
HETATM   34  O   UNL     1       4.691   2.948   0.885  1.00  0.00           O  
HETATM   35  C   UNL     1       5.703  -0.185   0.114  1.00  0.00           C  
HETATM   36  C   UNL     1       5.858  -1.486   0.550  1.00  0.00           C  
HETATM   37  C   UNL     1       6.638   0.378  -0.735  1.00  0.00           C  
HETATM   38  C   UNL     1       7.735  -0.358  -1.146  1.00  0.00           C  
HETATM   39  C   UNL     1       7.898  -1.658  -0.710  1.00  0.00           C  
HETATM   40  C   UNL     1       6.957  -2.228   0.139  1.00  0.00           C  
HETATM   41  N   UNL     1       7.117  -3.546   0.579  1.00  0.00           N  
HETATM   42  C   UNL     1       8.378  -4.040   0.830  1.00  0.00           C  
HETATM   43  N   UNL     1       8.538  -5.299   1.124  1.00  0.00           N  
HETATM   44  N   UNL     1       9.468  -3.203   0.772  1.00  0.00           N  
HETATM   45  H   UNL     1      -7.818  -2.485   1.757  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.810  -4.733   1.918  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.172  -6.067  -0.120  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.539  -5.154  -2.318  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.544  -2.908  -2.478  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.273  -0.737  -1.426  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.387  -0.561   0.342  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.055  -1.009  -0.232  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.246   1.768  -1.114  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.280   1.010   1.678  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.049   2.607   0.929  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.491   0.257   2.341  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.755   0.917   3.050  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.609   3.162   2.506  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.200   4.746   1.255  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.933   4.089   0.554  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.734   2.708  -0.849  1.00  0.00           H  
HETATM   62  H   UNL     1       0.917   0.511  -1.955  1.00  0.00           H  
HETATM   63  H   UNL     1       1.347   3.525  -2.143  1.00  0.00           H  
HETATM   64  H   UNL     1       2.610   1.106  -3.500  1.00  0.00           H  
HETATM   65  H   UNL     1       2.835   2.780  -4.063  1.00  0.00           H  
HETATM   66  H   UNL     1       3.413   2.298  -2.450  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.748   2.828  -3.272  1.00  0.00           H  
HETATM   68  H   UNL     1       0.497   3.283  -4.459  1.00  0.00           H  
HETATM   69  H   UNL     1       0.147   1.565  -4.152  1.00  0.00           H  
HETATM   70  H   UNL     1       2.461   3.760  -0.303  1.00  0.00           H  
HETATM   71  H   UNL     1       3.581   0.191  -1.336  1.00  0.00           H  
HETATM   72  H   UNL     1       4.209   1.850  -1.184  1.00  0.00           H  
HETATM   73  H   UNL     1       3.889   0.016   1.220  1.00  0.00           H  
HETATM   74  H   UNL     1       5.996   2.537   2.848  1.00  0.00           H  
HETATM   75  H   UNL     1       5.125  -1.926   1.210  1.00  0.00           H  
HETATM   76  H   UNL     1       6.513   1.394  -1.077  1.00  0.00           H  
HETATM   77  H   UNL     1       8.464   0.084  -1.809  1.00  0.00           H  
HETATM   78  H   UNL     1       8.754  -2.233  -1.032  1.00  0.00           H  
HETATM   79  H   UNL     1       6.340  -4.113   0.706  1.00  0.00           H  
HETATM   80  H   UNL     1       7.769  -5.889   1.165  1.00  0.00           H  
HETATM   81  H   UNL     1       9.340  -2.244   0.708  1.00  0.00           H  
HETATM   82  H   UNL     1      10.364  -3.573   0.795  1.00  0.00           H  
CONECT    1    2    2    6   45                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4    6    6   49                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9                                                 
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   52                                            
CONECT   12   11   20   13   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   56                                       
CONECT   16   15   17   17   57                                       
CONECT   17   16   16   18   58                                       
CONECT   18   17   19   19   59                                       
CONECT   19   14   18   18   60                                       
CONECT   20   12   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   61                                            
CONECT   23   22   27   24   62                                       
CONECT   24   23   25   26   63                                       
CONECT   25   24   64   65   66                                       
CONECT   26   24   67   68   69                                       
CONECT   27   23   28   28   30                                       
CONECT   27   29                                                      
CONECT   28   27   27                                                 
CONECT   29   27   70                                                 
CONECT   30   27   31   71   72                                       
CONECT   31   30   35   32   73                                       
CONECT   32   31   34   34   33                                       
CONECT   33   32   74                                                 
CONECT   34   32   32                                                 
CONECT   35   31   37   37   36                                       
CONECT   36   35   40   40   75                                       
CONECT   37   35   35   38   76                                       
CONECT   38   37   39   39   77                                       
CONECT   39   38   38   40   78                                       
CONECT   40   36   36   39   41                                       
CONECT   41   40   42   79                                            
CONECT   42   41   44   43   43                                       
CONECT   43   42   42   80                                            
CONECT   44   42   81   82                                            
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   41                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
