COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.061   2.386  -0.450  1.00  0.00           N  
HETATM    2  N   UNL     1       3.843  -0.692   1.419  1.00  0.00           N  
HETATM    3  N   UNL     1      -3.226   0.357  -0.709  1.00  0.00           N  
HETATM    4  N   UNL     1      -6.650  -2.064  -0.545  1.00  0.00           N  
HETATM    5  O   UNL     1       2.499  -1.966   2.644  1.00  0.00           O  
HETATM    6  O   UNL     1      -1.849   1.125  -2.273  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.534   3.498   1.904  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.134   4.476  -0.277  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.594   2.702   1.279  1.00  0.00           C  
HETATM   10  C   UNL     1       0.439  -1.630   0.630  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.670  -1.215  -0.071  1.00  0.00           C  
HETATM   12  C   UNL     1       1.304   0.627   0.626  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.361  -3.421   0.399  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.052  -2.415  -0.550  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.382  -0.285  -1.653  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.400  -1.544   0.272  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.023  -2.716   0.736  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.913  -1.550  -1.119  1.00  0.00           C  
HETATM   19  C   UNL     1       5.042  -1.190   2.106  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.409   0.873  -1.410  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.416  -0.400   0.536  1.00  0.00           C  
HETATM   22  C   UNL     1       2.622  -1.166   1.737  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.989   0.569  -1.201  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.890   3.189   0.185  1.00  0.00           C  
HETATM   25  C   UNL     1       1.432  -0.712   0.983  1.00  0.00           C  
HETATM   26  C   UNL     1       0.193   1.050  -0.091  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.805   0.126  -0.438  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.691  -0.974  -0.321  1.00  0.00           C  
HETATM   29  H   UNL     1       0.627   2.760  -1.143  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.081   3.120   2.755  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.589   4.858  -1.127  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.406   1.702   1.641  1.00  0.00           H  
HETATM   33  H   UNL     1       0.539  -2.668   0.912  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.438  -1.926  -0.337  1.00  0.00           H  
HETATM   35  H   UNL     1       2.072   1.335   0.900  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.955  -3.573   1.300  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.183  -4.370  -0.109  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.564  -2.944  -1.354  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.757  -1.796   0.005  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.306   0.100  -2.086  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.931  -1.003  -2.338  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.958  -2.250  -0.431  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.625  -2.055   1.208  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.268  -3.445   1.031  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.168  -1.972   1.519  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.056  -0.510  -0.828  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.889  -1.635  -2.205  1.00  0.00           H  
HETATM   48  H   UNL     1       5.482  -0.390   2.701  1.00  0.00           H  
HETATM   49  H   UNL     1       4.772  -2.023   2.755  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.893   1.635  -0.799  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.109   1.304  -2.365  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.461  -0.809   0.865  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.819   0.258   1.306  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.120  -0.250   0.371  1.00  0.00           H  
HETATM   55  C   UNL     1      -2.770   4.781   1.445  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.071   5.269   0.356  1.00  0.00           C  
HETATM   57  C   UNL     1       3.999   0.339   0.383  1.00  0.00           C  
HETATM   58  C   UNL     1       5.020  -0.151  -0.649  1.00  0.00           C  
HETATM   59  C   UNL     1       6.052  -1.662   1.054  1.00  0.00           C  
HETATM   60  C   UNL     1       6.321  -0.526   0.065  1.00  0.00           C  
HETATM   61  H   UNL     1      -3.503   5.403   1.938  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.261   6.270  -0.002  1.00  0.00           H  
HETATM   63  H   UNL     1       3.041   0.513  -0.106  1.00  0.00           H  
HETATM   64  H   UNL     1       4.354   1.263   0.838  1.00  0.00           H  
HETATM   65  H   UNL     1       4.624  -1.024  -1.167  1.00  0.00           H  
HETATM   66  H   UNL     1       5.217   0.642  -1.370  1.00  0.00           H  
HETATM   67  H   UNL     1       6.983  -1.945   1.546  1.00  0.00           H  
HETATM   68  H   UNL     1       5.646  -2.522   0.520  1.00  0.00           H  
HETATM   69  C   UNL     1       8.552  -1.431  -0.264  1.00  0.00           C  
HETATM   70  C   UNL     1       9.726  -1.048  -1.183  1.00  0.00           C  
HETATM   71  C   UNL     1       9.080  -0.314  -2.380  1.00  0.00           C  
HETATM   72  C   UNL     1       7.723   0.162  -1.803  1.00  0.00           C  
HETATM   73  N   UNL     1       7.313  -0.965  -0.925  1.00  0.00           N  
HETATM   74  H   UNL     1       6.703   0.341   0.603  1.00  0.00           H  
HETATM   75  H   UNL     1       8.519  -2.513  -0.135  1.00  0.00           H  
HETATM   76  H   UNL     1       8.664  -0.945   0.705  1.00  0.00           H  
HETATM   77  H   UNL     1      10.415  -0.385  -0.660  1.00  0.00           H  
HETATM   78  H   UNL     1      10.247  -1.943  -1.525  1.00  0.00           H  
HETATM   79  H   UNL     1       9.689   0.537  -2.685  1.00  0.00           H  
HETATM   80  H   UNL     1       8.926  -0.998  -3.215  1.00  0.00           H  
HETATM   81  H   UNL     1       7.851   1.075  -1.222  1.00  0.00           H  
HETATM   82  H   UNL     1       6.996   0.311  -2.602  1.00  0.00           H  
CONECT    1   26   24   29                                            
CONECT    2   22   19   57                                            
CONECT    3   21   23   20                                            
CONECT    4   17   28   18                                            
CONECT    5   22   22                                                 
CONECT    6   23   23                                                 
CONECT    7    9   30   55   55                                       
CONECT    8   24   31   56   56                                       
CONECT    9   24   24    7   32                                       
CONECT   10   25   11   11   33                                       
CONECT   11   10   10   27   34                                       
CONECT   12   25   25   26   35                                       
CONECT   13   17   14   36   37                                       
CONECT   14   13   18   38   39                                       
CONECT   15   28   20   40   41                                       
CONECT   16   21   28   42   43                                       
CONECT   17   13    4   44   45                                       
CONECT   18    4   14   46   47                                       
CONECT   19    2   48   49   59                                       
CONECT   20    3   15   50   51                                       
CONECT   21   16    3   52   53                                       
CONECT   22    5    5    2   25                                       
CONECT   23   27    3    6    6                                       
CONECT   24    1    8    9    9                                       
CONECT   25   22   12   12   10                                       
CONECT   26   12    1   27   27                                       
CONECT   27   26   26   11   23                                       
CONECT   28   16    4   15   54                                       
CONECT   29    1                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   28                                                      
CONECT   55    7    7   56   61                                       
CONECT   56    8    8   55   62                                       
CONECT   57    2   58   63   64                                       
CONECT   58   57   60   65   66                                       
CONECT   59   19   60   67   68                                       
CONECT   60   58   59   73   74                                       
CONECT   61   55                                                      
CONECT   62   56                                                      
CONECT   63   57                                                      
CONECT   64   57                                                      
CONECT   65   58                                                      
CONECT   66   58                                                      
CONECT   67   59                                                      
CONECT   68   59                                                      
CONECT   69   73   70   75   76                                       
CONECT   70   69   71   77   78                                       
CONECT   71   70   72   79   80                                       
CONECT   72   71   73   81   82                                       
CONECT   73   60   69   72                                            
CONECT   74   60                                                      
CONECT   75   69                                                      
CONECT   76   69                                                      
CONECT   77   70                                                      
CONECT   78   70                                                      
CONECT   79   71                                                      
CONECT   80   71                                                      
CONECT   81   72                                                      
CONECT   82   72                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
