COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.104  -1.456  -0.121  1.00  0.00           C  
HETATM    2  C   UNL     1       1.516  -2.859  -0.151  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.289  -0.949  -0.161  1.00  0.00           C  
HETATM    4  N   UNL     1       2.194  -0.729  -0.045  1.00  0.00           N  
HETATM    5  C   UNL     1       2.922  -2.863  -0.095  1.00  0.00           C  
HETATM    6  C   UNL     1       0.845  -4.090  -0.233  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.622   0.108  -1.007  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.266  -1.529   0.646  1.00  0.00           C  
HETATM    9  N   UNL     1       3.319  -1.560  -0.028  1.00  0.00           N  
HETATM   10  N   UNL     1       3.560  -4.033  -0.113  1.00  0.00           N  
HETATM   11  N   UNL     1       1.570  -5.205  -0.245  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.534  -4.142  -0.295  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.922   0.578  -1.043  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.562  -1.058   0.608  1.00  0.00           C  
HETATM   15  C   UNL     1       2.889  -5.161  -0.185  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.895  -0.002  -0.230  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.250   1.609  -1.866  1.00  0.00           O  
HETATM   18  C   UNL     1       9.554   3.246  -0.716  1.00  0.00           C  
HETATM   19  C   UNL     1       9.466   3.122   1.582  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.210   0.474  -0.266  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.055   1.985  -2.554  1.00  0.00           C  
HETATM   22  C   UNL     1       8.176   2.605  -0.897  1.00  0.00           C  
HETATM   23  C   UNL     1       8.081   2.471   1.588  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.050   0.211   0.755  1.00  0.00           C  
HETATM   25  C   UNL     1       7.896   1.677   0.290  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.468   0.586   0.655  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.635  -0.338   1.758  1.00  0.00           O  
HETATM   28  N   UNL     1       6.518   1.176   0.210  1.00  0.00           N  
HETATM   29  N   UNL     1      -7.089   1.078  -0.477  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.376   0.509   1.663  1.00  0.00           C  
HETATM   31  C   UNL     1       6.436   0.358  -1.005  1.00  0.00           C  
HETATM   32  C   UNL     1       6.328   0.278   1.355  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.413   1.310  -0.191  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.442   1.312  -1.771  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.620   0.961   1.159  1.00  0.00           C  
HETATM   36  C   UNL     1       5.022  -0.208  -1.153  1.00  0.00           C  
HETATM   37  C   UNL     1       4.909  -0.292   1.336  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.480   1.792  -0.943  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.893   1.104   1.725  1.00  0.00           C  
HETATM   40  C   UNL     1       4.708  -1.101   0.051  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.723   1.924  -0.363  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.923   1.580   0.967  1.00  0.00           C  
HETATM   43  O   UNL     1       9.571   4.023   0.481  1.00  0.00           O  
HETATM   44  H   UNL     1       0.134   0.559  -1.633  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.009  -2.349   1.301  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.993  -4.991  -0.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.044  -3.329  -0.437  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.318  -1.509   1.234  1.00  0.00           H  
HETATM   49  H   UNL     1       3.438  -6.091  -0.197  1.00  0.00           H  
HETATM   50  H   UNL     1      10.311   2.465  -0.652  1.00  0.00           H  
HETATM   51  H   UNL     1       9.769   3.890  -1.568  1.00  0.00           H  
HETATM   52  H   UNL     1      10.229   2.349   1.492  1.00  0.00           H  
HETATM   53  H   UNL     1       9.614   3.669   2.513  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.517   0.993  -1.025  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.300   2.293  -1.830  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.683   1.135  -3.127  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.270   2.813  -3.230  1.00  0.00           H  
HETATM   58  H   UNL     1       8.161   2.029  -1.822  1.00  0.00           H  
HETATM   59  H   UNL     1       7.414   3.384  -0.938  1.00  0.00           H  
HETATM   60  H   UNL     1       7.315   3.244   1.655  1.00  0.00           H  
HETATM   61  H   UNL     1       7.998   1.798   2.442  1.00  0.00           H  
HETATM   62  H   UNL     1       8.592   0.838   0.269  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.184   0.164   2.668  1.00  0.00           H  
HETATM   64  H   UNL     1       7.150  -0.463  -0.937  1.00  0.00           H  
HETATM   65  H   UNL     1       6.673   0.973  -1.873  1.00  0.00           H  
HETATM   66  H   UNL     1       7.048  -0.539   1.297  1.00  0.00           H  
HETATM   67  H   UNL     1       6.484   0.833   2.280  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.959   2.289  -1.764  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.695   0.539  -1.949  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.191   1.282  -2.562  1.00  0.00           H  
HETATM   71  H   UNL     1       4.960  -0.796  -2.069  1.00  0.00           H  
HETATM   72  H   UNL     1       4.305   0.611  -1.196  1.00  0.00           H  
HETATM   73  H   UNL     1       4.188   0.525   1.368  1.00  0.00           H  
HETATM   74  H   UNL     1       4.765  -0.940   2.200  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.335   2.062  -1.979  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.059   0.839   2.759  1.00  0.00           H  
HETATM   77  H   UNL     1       5.377  -1.962   0.051  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.549   2.299  -0.949  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.904   1.689   1.406  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    5    6                                       
CONECT    3    1    7    7    8                                       
CONECT    4    1    1    9                                            
CONECT    5    2    2    9   10                                       
CONECT    6    2   11   11   12                                       
CONECT    7    3    3   13   44                                       
CONECT    8    3   14   14   45                                       
CONECT    9    4    5   40                                            
CONECT   10    5   15   15                                            
CONECT   11    6    6   15                                            
CONECT   12    6   46   47                                            
CONECT   13    7   16   16   17                                       
CONECT   14    8    8   16   48                                       
CONECT   15   10   10   11   49                                       
CONECT   16   13   13   14   20                                       
CONECT   17   13   21                                                 
CONECT   18   22   43   50   51                                       
CONECT   19   23   43   52   53                                       
CONECT   20   16   24   54                                            
CONECT   21   17   55   56   57                                       
CONECT   22   18   25   58   59                                       
CONECT   23   19   25   60   61                                       
CONECT   24   20   26   27   27                                       
CONECT   25   22   23   28   62                                       
CONECT   26   24   29   30   30                                       
CONECT   27   24   24                                                 
CONECT   28   25   31   32                                            
CONECT   29   26   33   34                                            
CONECT   30   26   26   35   63                                       
CONECT   31   28   36   64   65                                       
CONECT   32   28   37   66   67                                       
CONECT   33   29   35   35   38                                       
CONECT   34   29   68   69   70                                       
CONECT   35   30   33   33   39                                       
CONECT   36   31   40   71   72                                       
CONECT   37   32   40   73   74                                       
CONECT   38   33   41   41   75                                       
CONECT   39   35   42   42   76                                       
CONECT   40    9   36   37   77                                       
CONECT   41   38   38   42   78                                       
CONECT   42   39   39   41   79                                       
CONECT   43   18   19                                                 
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
