COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.146   2.391   1.777  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.625   5.411   0.577  1.00  0.00           C  
HETATM    3  C   UNL     1       1.891   0.063   1.354  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.076  -0.939   0.469  1.00  0.00           C  
HETATM    5  C   UNL     1       0.830   1.087   1.041  1.00  0.00           C  
HETATM    6  C   UNL     1       0.169   3.456   1.354  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.351   1.691  -2.368  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.702   0.610  -3.392  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.957   2.246  -2.669  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.513   0.103  -0.795  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.476  -1.503   0.715  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.378   2.822  -2.448  1.00  0.00           C  
HETATM   13  C   UNL     1       0.406   4.198   0.212  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.493   5.172  -0.179  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.857   4.678   1.726  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.960   3.700   2.114  1.00  0.00           C  
HETATM   17  C   UNL     1       4.105  -0.894   1.012  1.00  0.00           C  
HETATM   18  C   UNL     1       5.340  -0.629   0.148  1.00  0.00           C  
HETATM   19  C   UNL     1       6.417  -1.668   0.466  1.00  0.00           C  
HETATM   20  C   UNL     1       7.633  -1.407  -0.385  1.00  0.00           C  
HETATM   21  C   UNL     1       8.637  -0.572   0.067  1.00  0.00           C  
HETATM   22  C   UNL     1       9.857  -0.887  -1.862  1.00  0.00           C  
HETATM   23  C   UNL     1       8.898  -1.737  -2.377  1.00  0.00           C  
HETATM   24  C   UNL     1       7.761  -2.006  -1.629  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.706  -2.711  -0.196  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.035  -3.342   0.131  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.179  -2.923  -0.523  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.398  -3.501  -0.222  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.474  -4.498   0.732  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.330  -4.917   1.386  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.110  -4.343   1.081  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.477  -0.474   0.422  1.00  0.00           N  
HETATM   33  N   UNL     1       3.074   0.101   0.709  1.00  0.00           N  
HETATM   34  N   UNL     1       9.704  -0.338  -0.672  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.366   1.118  -1.034  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.777  -0.292  -1.678  1.00  0.00           O  
HETATM   37  O   UNL     1       1.680  -0.794   2.185  1.00  0.00           O  
HETATM   38  S   UNL     1      -0.787   0.466   1.581  1.00  0.00           S  
HETATM   39  H   UNL     1       1.066   2.230   2.852  1.00  0.00           H  
HETATM   40  H   UNL     1       2.160   2.709   1.532  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.326   6.175   0.274  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.333  -1.713   0.661  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.994  -0.606  -0.566  1.00  0.00           H  
HETATM   44  H   UNL     1       0.808   1.272  -0.033  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.695   0.215  -3.177  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.691   1.040  -4.393  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.970  -0.196  -3.335  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.946   2.676  -3.671  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.707   3.016  -1.940  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.226   1.440  -2.612  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.566  -1.812   1.756  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.371   2.427  -2.234  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.128   3.592  -1.719  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.367   3.253  -3.450  1.00  0.00           H  
HETATM   55  H   UNL     1       1.293   4.014  -0.377  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.312   5.746  -1.076  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.739   4.868   2.320  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.146   3.120   3.006  1.00  0.00           H  
HETATM   59  H   UNL     1       3.721  -1.892   0.800  1.00  0.00           H  
HETATM   60  H   UNL     1       4.377  -0.826   2.066  1.00  0.00           H  
HETATM   61  H   UNL     1       5.068  -0.698  -0.905  1.00  0.00           H  
HETATM   62  H   UNL     1       5.724   0.369   0.360  1.00  0.00           H  
HETATM   63  H   UNL     1       6.689  -1.600   1.519  1.00  0.00           H  
HETATM   64  H   UNL     1       6.033  -2.666   0.254  1.00  0.00           H  
HETATM   65  H   UNL     1       8.547  -0.104   1.036  1.00  0.00           H  
HETATM   66  H   UNL     1      10.745  -0.672  -2.438  1.00  0.00           H  
HETATM   67  H   UNL     1       9.029  -2.183  -3.352  1.00  0.00           H  
HETATM   68  H   UNL     1       6.995  -2.667  -2.006  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.704  -2.387  -1.237  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.910  -3.440  -0.041  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.120  -2.143  -1.268  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.291  -3.173  -0.733  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.426  -4.949   0.967  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.389  -5.695   2.132  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.217  -4.670   1.592  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.112  -0.207   1.105  1.00  0.00           H  
HETATM   77  H   UNL     1       3.242   0.786   0.044  1.00  0.00           H  
CONECT    1    5    6   39   40                                       
CONECT    2   14   14   15   41                                       
CONECT    3   33    5   37   37                                       
CONECT    4   11   38   42   43                                       
CONECT    5   38    1    3   44                                       
CONECT    6    1   13   13   16                                       
CONECT    7   12    9    8   35                                       
CONECT    8    7   45   46   47                                       
CONECT    9    7   48   49   50                                       
CONECT   10   35   36   36   32                                       
CONECT   11   32   25    4   51                                       
CONECT   12    7   52   53   54                                       
CONECT   13    6    6   14   55                                       
CONECT   14   13    2    2   56                                       
CONECT   15   16   16    2   57                                       
CONECT   16    6   15   15   58                                       
CONECT   17   18   33   59   60                                       
CONECT   18   19   17   61   62                                       
CONECT   19   20   18   63   64                                       
CONECT   20   24   24   21   19                                       
CONECT   21   34   34   20   65                                       
CONECT   22   23   23   34   66                                       
CONECT   23   22   22   24   67                                       
CONECT   24   23   20   20   68                                       
CONECT   25   26   11   69   70                                       
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26   71                                       
CONECT   28   29   27   27   72                                       
CONECT   29   30   30   28   73                                       
CONECT   30   29   29   31   74                                       
CONECT   31   30   26   26   75                                       
CONECT   32   10   11   76                                            
CONECT   33   17    3   77                                            
CONECT   34   22   21   21                                            
CONECT   35    7   10                                                 
CONECT   36   10   10                                                 
CONECT   37    3    3                                                 
CONECT   38    4    5                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
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
