COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.938  -1.202  -1.199  1.00  0.00           O  
HETATM    2  S   UNL     1       4.181  -0.481   0.001  1.00  0.00           S  
HETATM    3  O   UNL     1       5.460  -0.498   0.620  1.00  0.00           O  
HETATM    4  C   UNL     1       3.565   1.219  -0.142  1.00  0.00           C  
HETATM    5  C   UNL     1       4.476   2.009  -1.047  1.00  0.00           C  
HETATM    6  C   UNL     1       4.232   2.052  -2.407  1.00  0.00           C  
HETATM    7  C   UNL     1       5.067   2.776  -3.236  1.00  0.00           C  
HETATM    8  C   UNL     1       6.147   3.458  -2.706  1.00  0.00           C  
HETATM    9  C   UNL     1       6.390   3.415  -1.346  1.00  0.00           C  
HETATM   10  C   UNL     1       5.552   2.695  -0.516  1.00  0.00           C  
HETATM   11  N   UNL     1       3.180  -1.191   1.113  1.00  0.00           N  
HETATM   12  C   UNL     1       1.761  -1.383   0.804  1.00  0.00           C  
HETATM   13  C   UNL     1       0.932  -1.202   2.077  1.00  0.00           C  
HETATM   14  C   UNL     1       1.037   0.227   2.545  1.00  0.00           C  
HETATM   15  C   UNL     1       0.098   1.157   2.142  1.00  0.00           C  
HETATM   16  C   UNL     1       0.194   2.468   2.572  1.00  0.00           C  
HETATM   17  C   UNL     1       1.230   2.847   3.405  1.00  0.00           C  
HETATM   18  C   UNL     1       2.169   1.916   3.809  1.00  0.00           C  
HETATM   19  C   UNL     1       2.070   0.605   3.382  1.00  0.00           C  
HETATM   20  C   UNL     1       1.549  -2.773   0.261  1.00  0.00           C  
HETATM   21  O   UNL     1       2.386  -3.631   0.446  1.00  0.00           O  
HETATM   22  N   UNL     1       0.429  -3.063  -0.431  1.00  0.00           N  
HETATM   23  C   UNL     1       0.174  -4.437  -0.869  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.533  -2.003  -0.745  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.751  -1.945  -2.259  1.00  0.00           C  
HETATM   26  C   UNL     1       0.551  -1.526  -2.946  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.843  -2.295  -0.060  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.961  -3.290   0.624  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.883  -1.450  -0.206  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.156  -1.734   0.460  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.146  -0.644   0.137  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.964  -0.763  -0.972  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.872   0.232  -1.273  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.964   1.359  -0.456  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.936   2.429  -0.773  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.025   3.541   0.036  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.708   2.320  -1.817  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.137   1.472   0.661  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.236   0.469   0.954  1.00  0.00           C  
HETATM   40  H   UNL     1       2.559   1.207  -0.561  1.00  0.00           H  
HETATM   41  H   UNL     1       3.542   1.682   0.844  1.00  0.00           H  
HETATM   42  H   UNL     1       3.533  -1.479   1.969  1.00  0.00           H  
HETATM   43  H   UNL     1       3.389   1.519  -2.821  1.00  0.00           H  
HETATM   44  H   UNL     1       5.740   2.665   0.548  1.00  0.00           H  
HETATM   45  H   UNL     1       4.877   2.809  -4.299  1.00  0.00           H  
HETATM   46  H   UNL     1       6.800   4.023  -3.354  1.00  0.00           H  
HETATM   47  H   UNL     1       7.233   3.948  -0.931  1.00  0.00           H  
HETATM   48  H   UNL     1       1.448  -0.651   0.059  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.111  -1.440   1.869  1.00  0.00           H  
HETATM   50  H   UNL     1       1.308  -1.867   2.854  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.712   0.861   1.492  1.00  0.00           H  
HETATM   52  H   UNL     1       2.802  -0.123   3.701  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.539   3.195   2.257  1.00  0.00           H  
HETATM   54  H   UNL     1       1.306   3.871   3.740  1.00  0.00           H  
HETATM   55  H   UNL     1       2.979   2.213   4.459  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.447  -4.945  -0.131  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.343  -4.423  -1.829  1.00  0.00           H  
HETATM   58  H   UNL     1       1.121  -4.967  -0.974  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.145  -1.046  -0.397  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.053  -2.927  -2.620  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.531  -1.218  -2.485  1.00  0.00           H  
HETATM   62  H   UNL     1       0.395  -1.485  -4.024  1.00  0.00           H  
HETATM   63  H   UNL     1       0.853  -0.544  -2.584  1.00  0.00           H  
HETATM   64  H   UNL     1       1.331  -2.253  -2.719  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.788  -0.655  -0.753  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.543  -2.691   0.112  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.001  -1.775   1.538  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.891  -1.635  -1.604  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.597   0.554   1.821  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.509   0.138  -2.140  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.203   2.343   1.297  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.451   3.622   0.813  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.662   4.242  -0.172  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.345   3.021  -2.024  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   11                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   40   41                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   43                                       
CONECT    7    6    6    8   45                                       
CONECT    8    7    9    9   46                                       
CONECT    9    8    8   10   47                                       
CONECT   10    5    5    9   44                                       
CONECT   11    2   12   42                                            
CONECT   12   11   13   20   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14   16   16   51                                       
CONECT   16   15   15   17   53                                       
CONECT   17   16   18   18   54                                       
CONECT   18   17   17   19   55                                       
CONECT   19   14   14   18   52                                       
CONECT   20   12   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   24                                            
CONECT   23   22   56   57   58                                       
CONECT   24   22   25   27   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   25   62   63   64                                       
CONECT   27   24   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   65                                            
CONECT   30   29   31   66   67                                       
CONECT   31   30   32   39   39                                       
CONECT   32   31   33   33   68                                       
CONECT   33   32   32   34   70                                       
CONECT   34   33   35   38   38                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35   72   73                                            
CONECT   37   35   35   74                                            
CONECT   38   34   34   39   71                                       
CONECT   39   31   31   38   69                                       
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42   11                                                      
CONECT   43    6                                                      
CONECT   44   10                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   19                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   39                                                      
CONECT   70   33                                                      
CONECT   71   38                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
