COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.251   1.429  -0.497  1.00  0.00           N  
HETATM    2  N   UNL     1       2.350   1.367  -1.466  1.00  0.00           N  
HETATM    3  O   UNL     1       3.882  -0.023  -2.431  1.00  0.00           O  
HETATM    4  N   UNL     1       2.021  -1.115   1.057  1.00  0.00           N  
HETATM    5  O   UNL     1       3.464   0.417   1.919  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.448  -1.311  -0.155  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.624   1.312  -0.474  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.156   3.089   2.621  1.00  0.00           O  
HETATM    9  C   UNL     1       2.440   2.550  -0.743  1.00  0.00           C  
HETATM   10  C   UNL     1       3.212  -0.712   1.530  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.179  -2.613  -0.172  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.274  -3.064  -1.774  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.160   2.582  -0.236  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.158   3.453   0.441  1.00  0.00           O  
HETATM   15  C   UNL     1       3.813   2.882  -0.635  1.00  0.00           C  
HETATM   16  C   UNL     1       4.124  -1.778   1.511  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.337  -3.307  -0.604  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.050  -3.055   0.295  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.104   3.464  -0.115  1.00  0.00           C  
HETATM   20  C   UNL     1       4.517   1.918  -1.278  1.00  0.00           C  
HETATM   21  C   UNL     1       3.473  -2.891   1.005  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.293  -2.372  -0.839  1.00  0.00           C  
HETATM   23  C   UNL     1       0.076   2.740  -0.278  1.00  0.00           C  
HETATM   24  C   UNL     1       3.595   0.975  -1.794  1.00  0.00           C  
HETATM   25  C   UNL     1       2.099  -2.458   0.709  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.712  -1.110  -0.549  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.624   2.925  -0.131  1.00  0.00           C  
HETATM   28  C   UNL     1       6.016   1.860  -1.419  1.00  0.00           C  
HETATM   29  C   UNL     1       4.041  -4.235   0.805  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.700  -2.626  -1.317  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.075   2.793   1.325  1.00  0.00           C  
HETATM   32  C   UNL     1       6.608   1.076  -0.246  1.00  0.00           C  
HETATM   33  C   UNL     1       4.610  -4.874   1.822  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.642  -2.698  -0.114  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.539   3.136   1.430  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.048  -2.953  -0.592  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.352   0.133  -0.658  1.00  0.00           C  
HETATM   38  C   UNL     1       1.385   3.269  -0.226  1.00  0.00           C  
HETATM   39  C   UNL     1       1.097  -3.226   0.193  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.209   4.945   0.147  1.00  0.00           C  
HETATM   41  C   UNL     1       4.387   4.087   0.067  1.00  0.00           C  
HETATM   42  C   UNL     1       5.561  -1.722   1.962  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.479  -4.798  -0.769  1.00  0.00           C  
HETATM   44  H   UNL     1       0.378   0.703  -0.639  1.00  0.00           H  
HETATM   45  H   UNL     1       1.530   0.900  -1.691  1.00  0.00           H  
HETATM   46  H   UNL     1       1.231  -0.558   0.975  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.095   3.317   2.638  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.935  -3.218  -0.059  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.782   3.948  -0.470  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.202   2.242  -0.754  1.00  0.00           H  
HETATM   51  H   UNL     1       6.274   1.365  -2.354  1.00  0.00           H  
HETATM   52  H   UNL     1       6.420   2.872  -1.420  1.00  0.00           H  
HETATM   53  H   UNL     1       3.994  -4.701  -0.168  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.012  -1.815  -1.975  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.733  -3.569  -1.862  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.917   1.769   1.663  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.497   3.475   1.948  1.00  0.00           H  
HETATM   58  H   UNL     1       7.693   1.034  -0.348  1.00  0.00           H  
HETATM   59  H   UNL     1       6.350   1.572   0.690  1.00  0.00           H  
HETATM   60  H   UNL     1       6.204   0.064  -0.244  1.00  0.00           H  
HETATM   61  H   UNL     1       5.101  -5.822   1.657  1.00  0.00           H  
HETATM   62  H   UNL     1       4.582  -4.446   2.813  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.330  -3.510   0.544  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.608  -1.755   0.431  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.408   0.179  -0.882  1.00  0.00           H  
HETATM   66  H   UNL     1       1.559   4.238   0.219  1.00  0.00           H  
HETATM   67  H   UNL     1       1.246  -4.286   0.054  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.204   5.126   1.221  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.363   5.456  -0.312  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.138   5.324  -0.281  1.00  0.00           H  
HETATM   71  H   UNL     1       3.576   4.681   0.490  1.00  0.00           H  
HETATM   72  H   UNL     1       5.052   3.759   0.865  1.00  0.00           H  
HETATM   73  H   UNL     1       4.946   4.691  -0.647  1.00  0.00           H  
HETATM   74  H   UNL     1       5.820  -0.696   2.225  1.00  0.00           H  
HETATM   75  H   UNL     1       5.694  -2.364   2.832  1.00  0.00           H  
HETATM   76  H   UNL     1       6.209  -2.064   1.155  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.540  -5.284  -0.503  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.274  -5.161  -0.119  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.725  -5.026  -1.806  1.00  0.00           H  
CONECT    1    7   23   44                                            
CONECT    2    9   24   45                                            
CONECT    3   24   24                                                 
CONECT    4   10   25   46                                            
CONECT    5   10   10                                                 
CONECT    6   11   11   26                                            
CONECT    7    1   13   13   37                                       
CONECT    8   35   47                                                 
CONECT    9    2   15   38   38                                       
CONECT   10    4    5    5   16                                       
CONECT   11    6    6   17   39                                       
CONECT   12   36   36                                                 
CONECT   13    7    7   19   27                                       
CONECT   14   35   35                                                 
CONECT   15    9   20   20   41                                       
CONECT   16   10   21   21   42                                       
CONECT   17   11   22   22   43                                       
CONECT   18   36   48                                                 
CONECT   19   13   23   23   40                                       
CONECT   20   15   15   24   28                                       
CONECT   21   16   16   25   29                                       
CONECT   22   17   17   26   30                                       
CONECT   23    1   19   19   38                                       
CONECT   24    2    3    3   20                                       
CONECT   25    4   21   39   39                                       
CONECT   26    6   22   37   37                                       
CONECT   27   13   31   49   50                                       
CONECT   28   20   32   51   52                                       
CONECT   29   21   33   33   53                                       
CONECT   30   22   34   54   55                                       
CONECT   31   27   35   56   57                                       
CONECT   32   28   58   59   60                                       
CONECT   33   29   29   61   62                                       
CONECT   34   30   36   63   64                                       
CONECT   35    8   14   14   31                                       
CONECT   36   12   12   18   34                                       
CONECT   37    7   26   26   65                                       
CONECT   38    9    9   23   66                                       
CONECT   39   11   25   25   67                                       
CONECT   40   19   68   69   70                                       
CONECT   41   15   71   72   73                                       
CONECT   42   16   74   75   76                                       
CONECT   43   17   77   78   79                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    8                                                      
CONECT   48   18                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
