COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.913  -0.922   1.243  1.00  0.00           C  
HETATM    2  C   UNL     1       1.805  -1.641   1.645  1.00  0.00           C  
HETATM    3  C   UNL     1       1.877  -3.017   1.767  1.00  0.00           C  
HETATM    4  C   UNL     1       3.057  -3.681   1.487  1.00  0.00           C  
HETATM    5  C   UNL     1       4.171  -2.974   1.084  1.00  0.00           C  
HETATM    6  C   UNL     1       4.104  -1.587   0.953  1.00  0.00           C  
HETATM    7  C   UNL     1       5.296  -0.821   0.520  1.00  0.00           C  
HETATM    8  C   UNL     1       6.524  -1.019   1.146  1.00  0.00           C  
HETATM    9  C   UNL     1       7.615  -0.273   0.699  1.00  0.00           C  
HETATM   10  C   UNL     1       8.946  -0.411   1.296  1.00  0.00           C  
HETATM   11  O   UNL     1       9.133  -1.195   2.210  1.00  0.00           O  
HETATM   12  N   UNL     1       9.962   0.338   0.823  1.00  0.00           N  
HETATM   13  C   UNL     1       9.794   1.226  -0.198  1.00  0.00           C  
HETATM   14  C   UNL     1       8.609   1.416  -0.802  1.00  0.00           C  
HETATM   15  C   UNL     1       7.442   0.650  -0.362  1.00  0.00           C  
HETATM   16  N   UNL     1       6.253   0.806  -0.931  1.00  0.00           N  
HETATM   17  C   UNL     1       5.200   0.110  -0.533  1.00  0.00           C  
HETATM   18  C   UNL     1       3.895   0.321  -1.200  1.00  0.00           C  
HETATM   19  C   UNL     1       3.535   1.591  -1.649  1.00  0.00           C  
HETATM   20  C   UNL     1       2.318   1.781  -2.270  1.00  0.00           C  
HETATM   21  C   UNL     1       3.023  -0.751  -1.387  1.00  0.00           C  
HETATM   22  C   UNL     1       1.810  -0.550  -2.014  1.00  0.00           C  
HETATM   23  C   UNL     1       1.454   0.715  -2.448  1.00  0.00           C  
HETATM   24  C   UNL     1       0.129   0.928  -3.132  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.894   1.252  -2.128  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.138   1.696  -2.769  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.127   2.162  -1.698  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.135   0.110  -1.236  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.094   0.528  -0.119  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.412   1.005  -0.736  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.313   1.461   0.325  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.571   0.934   0.608  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.321  -0.087   0.047  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.063   2.457   1.196  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.046   3.124   1.225  1.00  0.00           O  
HETATM   36  N   UNL     1      -5.110   2.602   2.031  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.212   3.582   3.115  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.078   1.659   1.689  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.333   1.358   2.197  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.078   0.342   1.635  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.574  -0.386   0.563  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.336  -1.415  -0.004  1.00  0.00           N  
HETATM   43  C   UNL     1      -7.725  -2.504  -0.512  1.00  0.00           C  
HETATM   44  O   UNL     1      -6.526  -2.638  -0.393  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.533  -3.556  -1.227  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.606  -4.677  -1.701  1.00  0.00           C  
HETATM   47  H   UNL     1       2.856   0.152   1.149  1.00  0.00           H  
HETATM   48  H   UNL     1       0.881  -1.127   1.866  1.00  0.00           H  
HETATM   49  H   UNL     1       1.007  -3.575   2.082  1.00  0.00           H  
HETATM   50  H   UNL     1       3.107  -4.755   1.584  1.00  0.00           H  
HETATM   51  H   UNL     1       5.093  -3.493   0.865  1.00  0.00           H  
HETATM   52  H   UNL     1       6.629  -1.729   1.953  1.00  0.00           H  
HETATM   53  H   UNL     1      10.646   1.798  -0.534  1.00  0.00           H  
HETATM   54  H   UNL     1       8.518   2.131  -1.607  1.00  0.00           H  
HETATM   55  H   UNL     1       4.208   2.425  -1.511  1.00  0.00           H  
HETATM   56  H   UNL     1       2.038   2.765  -2.618  1.00  0.00           H  
HETATM   57  H   UNL     1       3.296  -1.737  -1.041  1.00  0.00           H  
HETATM   58  H   UNL     1       1.132  -1.379  -2.155  1.00  0.00           H  
HETATM   59  H   UNL     1       0.215   1.751  -3.842  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.157   0.020  -3.662  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.922   2.522  -3.447  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.573   0.870  -3.331  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.698   2.997  -1.145  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.056   2.478  -2.173  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.575  -0.709  -1.805  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.191  -0.216  -0.800  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.285  -0.323   0.534  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.649   1.338   0.459  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.876   0.184  -1.282  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.931  -0.650  -0.789  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.304   4.184   3.147  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.071   4.230   2.939  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.337   3.062   4.064  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.726   1.917   3.033  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.055   0.107   2.032  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.303  -1.344  -0.032  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.280  -3.966  -0.547  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.032  -3.109  -2.087  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.859  -4.268  -2.381  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.108  -5.124  -0.841  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.190  -5.438  -2.218  1.00  0.00           H  
HETATM   82  H   UNL     1      10.841   0.243   1.222  1.00  0.00           H  
CONECT    1    6    6    2   47                                       
CONECT    2    3    3    1   48                                       
CONECT    3    4    2    2   49                                       
CONECT    4    5    5    3   50                                       
CONECT    5    4    4    6   51                                       
CONECT    6    5    7    1    1                                       
CONECT    7   17    6    8    8                                       
CONECT    8    7    7    9   52                                       
CONECT    9   15   15    8   10                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   82                                            
CONECT   13   14   14   12   53                                       
CONECT   14   15   13   13   54                                       
CONECT   15   16   14    9    9                                       
CONECT   16   17   17   15                                            
CONECT   17   18   16   16    7                                       
CONECT   18   21   21   19   17                                       
CONECT   19   20   20   18   55                                       
CONECT   20   23   19   19   56                                       
CONECT   21   22   18   18   57                                       
CONECT   22   23   23   21   58                                       
CONECT   23   24   22   22   20                                       
CONECT   24   25   23   59   60                                       
CONECT   25   28   26   24                                            
CONECT   26   27   25   61   62                                       
CONECT   27   30   26   63   64                                       
CONECT   28   29   25   65   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   31   29   27   69                                       
CONECT   31   32   34   30                                            
CONECT   32   38   38   33   31                                       
CONECT   33   41   41   32   70                                       
CONECT   34   36   31   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   38   37   34                                            
CONECT   37   36   71   72   73                                       
CONECT   38   39   36   32   32                                       
CONECT   39   40   40   38   74                                       
CONECT   40   39   39   41   75                                       
CONECT   41   40   42   33   33                                       
CONECT   42   41   43   76                                            
CONECT   43   42   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   46   43   77   78                                       
CONECT   46   45   79   80   81                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    8                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   45                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
CONECT   82   12                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
