COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.889   1.418   0.304  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.772  -3.174   0.030  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.094  -2.464   0.329  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.790  -4.570   0.657  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.518  -1.147   0.140  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.348   0.991   0.129  1.00  0.00           C  
HETATM    7  C   UNL     1       0.842   0.933  -0.301  1.00  0.00           C  
HETATM    8  C   UNL     1       1.060   2.374  -0.770  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.590  -3.297  -1.484  1.00  0.00           C  
HETATM   10  C   UNL     1       2.392   2.869  -0.270  1.00  0.00           C  
HETATM   11  C   UNL     1       2.505   3.373   1.013  1.00  0.00           C  
HETATM   12  C   UNL     1       3.727   3.828   1.472  1.00  0.00           C  
HETATM   13  C   UNL     1       4.837   3.777   0.649  1.00  0.00           C  
HETATM   14  C   UNL     1       4.724   3.272  -0.633  1.00  0.00           C  
HETATM   15  C   UNL     1       3.503   2.814  -1.091  1.00  0.00           C  
HETATM   16  C   UNL     1       1.856   0.033  -0.958  1.00  0.00           C  
HETATM   17  C   UNL     1       4.067  -0.988  -1.054  1.00  0.00           C  
HETATM   18  C   UNL     1       5.363  -0.974  -0.242  1.00  0.00           C  
HETATM   19  C   UNL     1       6.393  -1.889  -0.909  1.00  0.00           C  
HETATM   20  C   UNL     1       7.670  -1.875  -0.109  1.00  0.00           C  
HETATM   21  C   UNL     1       7.867  -2.787   0.910  1.00  0.00           C  
HETATM   22  C   UNL     1       9.946  -1.914   1.378  1.00  0.00           C  
HETATM   23  C   UNL     1       9.823  -0.976   0.371  1.00  0.00           C  
HETATM   24  C   UNL     1       8.665  -0.951  -0.391  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.254   1.932   0.926  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.696   1.589   0.657  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.346   0.664   1.452  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.670   0.349   1.205  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.342   0.959   0.163  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.692   1.883  -0.633  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.371   2.202  -0.382  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.518  -0.380   0.618  1.00  0.00           N  
HETATM   33  N   UNL     1       3.081  -0.112  -0.415  1.00  0.00           N  
HETATM   34  N   UNL     1       8.982  -2.781   1.614  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.674  -2.406   0.589  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.279  -0.701  -0.696  1.00  0.00           O  
HETATM   37  O   UNL     1       1.570  -0.562  -1.976  1.00  0.00           O  
HETATM   38  S   UNL     1      -0.829   0.396  -0.756  1.00  0.00           S  
HETATM   39  H   UNL     1      -1.781   2.465   0.023  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.595   1.288   1.345  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.919  -3.041  -0.091  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.224  -2.377   1.407  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.082  -1.470  -0.118  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.848  -5.075   0.444  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.919  -4.482   1.735  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.614  -5.146   0.237  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.616   1.036  -0.927  1.00  0.00           H  
HETATM   48  H   UNL     1       0.959   0.882   0.781  1.00  0.00           H  
HETATM   49  H   UNL     1       1.046   2.407  -1.860  1.00  0.00           H  
HETATM   50  H   UNL     1       0.265   3.008  -0.377  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.648  -3.803  -1.697  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.414  -3.874  -1.904  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.577  -2.303  -1.930  1.00  0.00           H  
HETATM   54  H   UNL     1       1.638   3.413   1.655  1.00  0.00           H  
HETATM   55  H   UNL     1       3.815   4.222   2.473  1.00  0.00           H  
HETATM   56  H   UNL     1       5.791   4.133   1.007  1.00  0.00           H  
HETATM   57  H   UNL     1       5.591   3.233  -1.276  1.00  0.00           H  
HETATM   58  H   UNL     1       3.416   2.416  -2.091  1.00  0.00           H  
HETATM   59  H   UNL     1       4.267  -0.633  -2.065  1.00  0.00           H  
HETATM   60  H   UNL     1       3.676  -2.005  -1.097  1.00  0.00           H  
HETATM   61  H   UNL     1       5.754   0.042  -0.199  1.00  0.00           H  
HETATM   62  H   UNL     1       5.163  -1.329   0.769  1.00  0.00           H  
HETATM   63  H   UNL     1       6.002  -2.905  -0.952  1.00  0.00           H  
HETATM   64  H   UNL     1       6.593  -1.534  -1.920  1.00  0.00           H  
HETATM   65  H   UNL     1       7.098  -3.513   1.133  1.00  0.00           H  
HETATM   66  H   UNL     1      10.845  -1.940   1.976  1.00  0.00           H  
HETATM   67  H   UNL     1      10.618  -0.270   0.180  1.00  0.00           H  
HETATM   68  H   UNL     1       8.540  -0.230  -1.185  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.046   1.821   1.990  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.063   2.962   0.623  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.821   0.188   2.266  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.178  -0.373   1.827  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.376   0.712  -0.030  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.217   2.359  -1.447  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.862   2.925  -1.004  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.911  -0.735   1.285  1.00  0.00           H  
HETATM   77  H   UNL     1       3.310   0.363   0.399  1.00  0.00           H  
CONECT    1    6   38   39   40                                       
CONECT    2    4    3    9   35                                       
CONECT    3    2   41   42   43                                       
CONECT    4    2   44   45   46                                       
CONECT    5   35   36   36   32                                       
CONECT    6   32    1   25   47                                       
CONECT    7    8   38   16   48                                       
CONECT    8   10    7   49   50                                       
CONECT    9    2   51   52   53                                       
CONECT   10   11    8   15   15                                       
CONECT   11   12   12   10   54                                       
CONECT   12   11   11   13   55                                       
CONECT   13   12   14   14   56                                       
CONECT   14   13   13   15   57                                       
CONECT   15   10   10   14   58                                       
CONECT   16    7   33   37   37                                       
CONECT   17   33   18   59   60                                       
CONECT   18   17   19   61   62                                       
CONECT   19   18   20   63   64                                       
CONECT   20   24   19   21   21                                       
CONECT   21   20   20   34   65                                       
CONECT   22   23   34   34   66                                       
CONECT   23   24   24   22   67                                       
CONECT   24   23   23   20   68                                       
CONECT   25    6   26   69   70                                       
CONECT   26   31   25   27   27                                       
CONECT   27   26   26   28   71                                       
CONECT   28   29   29   27   72                                       
CONECT   29   30   28   28   73                                       
CONECT   30   31   31   29   74                                       
CONECT   31   30   30   26   75                                       
CONECT   32    5    6   76                                            
CONECT   33   16   17   77                                            
CONECT   34   22   22   21                                            
CONECT   35    2    5                                                 
CONECT   36    5    5                                                 
CONECT   37   16   16                                                 
CONECT   38    1    7                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
