COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.822   0.379   0.005  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.314  -4.586  -1.164  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.666   1.234   0.287  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.885  -0.863   0.525  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.049  -1.725   0.242  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.340  -1.278   0.530  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.424  -2.087   0.262  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.968  -3.793  -0.591  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.475  -3.501  -0.811  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.574   5.097   1.247  1.00  0.00           C  
HETATM   11  C   UNL     1       2.333   2.613  -0.063  1.00  0.00           C  
HETATM   12  C   UNL     1       4.320  -0.566  -0.340  1.00  0.00           C  
HETATM   13  C   UNL     1       5.112  -0.299  -1.456  1.00  0.00           C  
HETATM   14  C   UNL     1       6.016  -1.241  -1.907  1.00  0.00           C  
HETATM   15  C   UNL     1       5.355  -2.731  -0.138  1.00  0.00           C  
HETATM   16  C   UNL     1       6.855  -5.787   1.550  1.00  0.00           C  
HETATM   17  C   UNL     1       4.442  -1.784   0.321  1.00  0.00           C  
HETATM   18  N   UNL     1       0.653   4.215  -1.540  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.459   4.240  -0.696  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.982  -1.273   1.229  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.555   3.429  -0.963  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.866  -2.994  -0.324  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.012  -4.691  -1.311  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.665   4.293   0.975  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.472   5.075   0.414  1.00  0.00           C  
HETATM   26  C   UNL     1       3.232   1.671  -0.516  1.00  0.00           C  
HETATM   27  C   UNL     1       3.354   0.450   0.146  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.655   3.459  -0.129  1.00  0.00           C  
HETATM   29  C   UNL     1       6.142  -2.452  -1.257  1.00  0.00           C  
HETATM   30  C   UNL     1       5.491  -4.028   0.559  1.00  0.00           C  
HETATM   31  C   UNL     1       7.901  -3.891   0.227  1.00  0.00           C  
HETATM   32  C   UNL     1       2.566   0.186   1.265  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.844   2.580  -0.419  1.00  0.00           C  
HETATM   34  C   UNL     1       1.669   1.132   1.714  1.00  0.00           C  
HETATM   35  C   UNL     1       1.554   2.349   1.056  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.109   2.937   2.649  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.238  -3.343  -0.291  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.579  -3.448  -0.627  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.500  -2.785  -0.407  1.00  0.00           N  
HETATM   40  N   UNL     1       6.714  -4.553   0.772  1.00  0.00           N  
HETATM   41  O   UNL     1       2.232   5.162   0.103  1.00  0.00           O  
HETATM   42  O   UNL     1       3.075   4.107  -2.000  1.00  0.00           O  
HETATM   43  O   UNL     1       4.500  -4.620   0.940  1.00  0.00           O  
HETATM   44  O   UNL     1       0.669   3.279   1.501  1.00  0.00           O  
HETATM   45  S   UNL     1       2.178   4.156  -0.899  1.00  0.00           S  
HETATM   46  H   UNL     1      -5.544   0.707  -0.553  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.587   1.395   1.362  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.760   0.750  -0.077  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.490  -0.299   0.961  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.422  -1.740   0.486  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.831  -4.774  -1.023  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.431  -3.227  -0.765  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.585   5.746   2.110  1.00  0.00           H  
HETATM   54  H   UNL     1       5.017   0.646  -1.970  1.00  0.00           H  
HETATM   55  H   UNL     1       6.627  -1.029  -2.773  1.00  0.00           H  
HETATM   56  H   UNL     1       6.803  -6.646   0.881  1.00  0.00           H  
HETATM   57  H   UNL     1       7.817  -5.784   2.064  1.00  0.00           H  
HETATM   58  H   UNL     1       6.052  -5.848   2.284  1.00  0.00           H  
HETATM   59  H   UNL     1       3.831  -1.994   1.186  1.00  0.00           H  
HETATM   60  H   UNL     1       0.531   4.233  -2.503  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.548   2.778  -1.825  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.469  -5.525  -1.731  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.526   4.314   1.625  1.00  0.00           H  
HETATM   64  H   UNL     1       0.378   5.707   0.625  1.00  0.00           H  
HETATM   65  H   UNL     1       3.841   1.878  -1.384  1.00  0.00           H  
HETATM   66  H   UNL     1       6.850  -3.185  -1.615  1.00  0.00           H  
HETATM   67  H   UNL     1       8.049  -4.204  -0.807  1.00  0.00           H  
HETATM   68  H   UNL     1       7.763  -2.810   0.263  1.00  0.00           H  
HETATM   69  H   UNL     1       8.774  -4.166   0.818  1.00  0.00           H  
HETATM   70  H   UNL     1       2.658  -0.759   1.780  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.924   2.419  -1.494  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.751   3.063  -0.056  1.00  0.00           H  
HETATM   73  H   UNL     1       1.061   0.929   2.583  1.00  0.00           H  
HETATM   74  H   UNL     1       0.554   2.738   3.491  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.773   3.765   2.898  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.702   2.048   2.435  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.093  -3.969  -0.501  1.00  0.00           H  
CONECT    1    4    3   46                                            
CONECT    2   23   23   38                                            
CONECT    3    1   33   47   48                                       
CONECT    4    5    1   20   20                                       
CONECT    5   22   22    6    4                                       
CONECT    6    7    7    5   49                                       
CONECT    7   37    6    6   50                                       
CONECT    8   37   37   22   51                                       
CONECT    9   23   39   39   52                                       
CONECT   10   24   24   25   53                                       
CONECT   11   35   45   26   26                                       
CONECT   12   27   13   13   17                                       
CONECT   13   12   12   14   54                                       
CONECT   14   13   29   29   55                                       
CONECT   15   17   17   29   30                                       
CONECT   16   40   56   57   58                                       
CONECT   17   12   15   15   59                                       
CONECT   18   45   19   60                                            
CONECT   19   18   21   25   25                                       
CONECT   20    4    4                                                 
CONECT   21   28   28   19   61                                       
CONECT   22    8   38    5    5                                       
CONECT   23    9    2    2   62                                       
CONECT   24   28   10   10   63                                       
CONECT   25   19   19   10   64                                       
CONECT   26   11   11   27   65                                       
CONECT   27   32   32   26   12                                       
CONECT   28   33   21   21   24                                       
CONECT   29   14   14   15   66                                       
CONECT   30   15   43   43   40                                       
CONECT   31   40   67   68   69                                       
CONECT   32   34   27   27   70                                       
CONECT   33    3   28   71   72                                       
CONECT   34   35   35   32   73                                       
CONECT   35   44   34   34   11                                       
CONECT   36   44   74   75   76                                       
CONECT   37    8    8    7   77                                       
CONECT   38   39    2   22                                            
CONECT   39    9    9   38                                            
CONECT   40   30   16   31                                            
CONECT   41   45   45                                                 
CONECT   42   45   45                                                 
CONECT   43   30   30                                                 
CONECT   44   36   35                                                 
CONECT   45   41   41   18   11                                       
CONECT   45   42   42                                                 
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
