COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.233   3.214   0.267  1.00  0.00           S  
HETATM    2  O   UNL     1      -2.694   3.941   1.398  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.322   3.706  -1.063  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.088   1.673   0.285  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.684   1.228   1.450  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.355   0.020   1.467  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.430  -0.747   0.313  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.830  -0.298  -0.855  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.166   0.913  -0.868  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.602   2.061   2.703  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.004  -0.465   2.737  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.520   1.404  -2.138  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.088  -1.935   0.327  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.125  -2.671  -0.897  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.632   2.889   0.540  1.00  0.00           N  
HETATM   16  C   UNL     1       0.148   2.159  -0.462  1.00  0.00           C  
HETATM   17  C   UNL     1       0.254   0.711  -0.058  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.271   0.327   0.966  1.00  0.00           O  
HETATM   19  C   UNL     1       1.549   2.765  -0.559  1.00  0.00           C  
HETATM   20  C   UNL     1       1.454   4.166  -1.106  1.00  0.00           C  
HETATM   21  O   UNL     1       0.371   4.661  -1.313  1.00  0.00           O  
HETATM   22  O   UNL     1       2.571   4.864  -1.363  1.00  0.00           O  
HETATM   23  N   UNL     1       0.932  -0.157  -0.835  1.00  0.00           N  
HETATM   24  C   UNL     1       1.035  -1.565  -0.442  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.184  -2.311  -0.922  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.843  -1.869  -1.839  1.00  0.00           O  
HETATM   27  C   UNL     1       2.288  -2.179  -1.069  1.00  0.00           C  
HETATM   28  C   UNL     1       3.514  -1.520  -0.490  1.00  0.00           C  
HETATM   29  C   UNL     1       4.106  -2.044   0.645  1.00  0.00           C  
HETATM   30  C   UNL     1       4.045  -0.398  -1.100  1.00  0.00           C  
HETATM   31  C   UNL     1       5.231  -1.448   1.176  1.00  0.00           C  
HETATM   32  C   UNL     1       5.171   0.206  -0.578  1.00  0.00           C  
HETATM   33  C   UNL     1       5.772  -0.317   0.566  1.00  0.00           C  
HETATM   34  C   UNL     1       6.980   0.327   1.132  1.00  0.00           C  
HETATM   35  N   UNL     1       7.539  -0.163   2.201  1.00  0.00           N  
HETATM   36  N   UNL     1       7.512   1.445   0.527  1.00  0.00           N  
HETATM   37  N   UNL     1      -0.541  -3.468  -0.331  1.00  0.00           N  
HETATM   38  C   UNL     1      -1.677  -4.249  -0.840  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.210  -5.683  -1.107  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.575  -6.253   0.164  1.00  0.00           C  
HETATM   41  C   UNL     1       0.644  -5.411   0.548  1.00  0.00           C  
HETATM   42  C   UNL     1       0.202  -3.977   0.830  1.00  0.00           C  
HETATM   43  H   UNL     1      -3.887  -0.893  -1.755  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.453   2.742   2.743  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.619   1.408   3.576  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.677   2.636   2.697  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.031  -0.102   2.782  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.003  -1.554   2.753  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.449  -0.088   3.596  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.450   1.195  -2.106  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.964   0.894  -2.993  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.677   2.478  -2.234  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.615  -2.073  -1.666  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.107  -2.904  -1.212  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.680  -3.597  -0.748  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.211   3.183   1.363  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.347   2.230  -1.431  1.00  0.00           H  
HETATM   58  H   UNL     1       2.002   2.792   0.432  1.00  0.00           H  
HETATM   59  H   UNL     1       2.164   2.157  -1.222  1.00  0.00           H  
HETATM   60  H   UNL     1       2.460   5.758  -1.713  1.00  0.00           H  
HETATM   61  H   UNL     1       1.351   0.149  -1.654  1.00  0.00           H  
HETATM   62  H   UNL     1       1.100  -1.636   0.644  1.00  0.00           H  
HETATM   63  H   UNL     1       2.267  -2.024  -2.148  1.00  0.00           H  
HETATM   64  H   UNL     1       2.315  -3.248  -0.856  1.00  0.00           H  
HETATM   65  H   UNL     1       3.686  -2.920   1.117  1.00  0.00           H  
HETATM   66  H   UNL     1       3.579   0.006  -1.986  1.00  0.00           H  
HETATM   67  H   UNL     1       5.693  -1.857   2.063  1.00  0.00           H  
HETATM   68  H   UNL     1       5.585   1.082  -1.055  1.00  0.00           H  
HETATM   69  H   UNL     1       8.330   0.259   2.571  1.00  0.00           H  
HETATM   70  H   UNL     1       7.095   1.810  -0.269  1.00  0.00           H  
HETATM   71  H   UNL     1       8.303   1.867   0.897  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.476  -4.257  -0.099  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.040  -3.805  -1.767  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.064  -6.297  -1.393  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.475  -5.683  -1.912  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.302  -6.230   0.975  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.264  -7.282  -0.016  1.00  0.00           H  
HETATM   78  H   UNL     1       1.110  -5.832   1.440  1.00  0.00           H  
HETATM   79  H   UNL     1       1.362  -5.414  -0.273  1.00  0.00           H  
HETATM   80  H   UNL     1       1.078  -3.353   1.005  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.441  -3.962   1.710  1.00  0.00           H  
CONECT    1   15    2    2    3                                       
CONECT    1    3    4                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    5    9                                       
CONECT    5    4    4    6   10                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7    9    9   43                                       
CONECT    9    4    8    8   12                                       
CONECT   10    5   44   45   46                                       
CONECT   11    6   47   48   49                                       
CONECT   12    9   50   51   52                                       
CONECT   13    7   14                                                 
CONECT   14   13   53   54   55                                       
CONECT   15    1   16   56                                            
CONECT   16   15   19   17   57                                       
CONECT   17   23   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   58   59                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   60                                                 
CONECT   23   24   17   61                                            
CONECT   24   27   23   25   62                                       
CONECT   25   24   26   26   37                                       
CONECT   26   25   25                                                 
CONECT   27   28   24   63   64                                       
CONECT   28   29   29   30   27                                       
CONECT   29   28   28   31   65                                       
CONECT   30   28   32   32   66                                       
CONECT   31   29   33   33   67                                       
CONECT   32   30   30   33   68                                       
CONECT   33   31   31   32   34                                       
CONECT   34   33   36   35   35                                       
CONECT   35   34   34   69                                            
CONECT   36   34   70   71                                            
CONECT   37   25   38   42                                            
CONECT   38   37   39   72   73                                       
CONECT   39   38   40   74   75                                       
CONECT   40   39   41   76   77                                       
CONECT   41   40   42   78   79                                       
CONECT   42   37   41   80   81                                       
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
