COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.671   0.120   2.684  1.00  0.00           O  
HETATM    2  S   UNL     1       5.480   0.163   1.396  1.00  0.00           S  
HETATM    3  O   UNL     1       6.112   1.436   1.362  1.00  0.00           O  
HETATM    4  O   UNL     1       6.196  -1.062   1.330  1.00  0.00           O  
HETATM    5  C   UNL     1       4.333   0.141   0.058  1.00  0.00           C  
HETATM    6  C   UNL     1       3.921  -1.064  -0.477  1.00  0.00           C  
HETATM    7  C   UNL     1       3.021  -1.084  -1.526  1.00  0.00           C  
HETATM    8  C   UNL     1       2.582  -2.398  -2.117  1.00  0.00           C  
HETATM    9  C   UNL     1       3.844   1.331  -0.450  1.00  0.00           C  
HETATM   10  C   UNL     1       2.944   1.317  -1.498  1.00  0.00           C  
HETATM   11  C   UNL     1       2.530   0.108  -2.038  1.00  0.00           C  
HETATM   12  O   UNL     1       1.640   0.090  -3.065  1.00  0.00           O  
HETATM   13  C   UNL     1       2.418   2.612  -2.058  1.00  0.00           C  
HETATM   14  C   UNL     1       1.092   2.944  -1.424  1.00  0.00           C  
HETATM   15  C   UNL     1       1.049   3.684  -0.258  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.168   3.991   0.322  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.219   4.934   1.809  1.00  0.00           S  
HETATM   18  O   UNL     1       1.040   4.753   2.443  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.294   6.401   1.411  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.456   4.625   2.437  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.344   3.560  -0.263  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.086   2.510  -2.013  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.046   1.778  -3.157  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.306   2.823  -1.431  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.588   2.366  -2.076  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.014   1.047  -1.487  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.882   1.017  -0.412  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.276  -0.194   0.126  1.00  0.00           C  
HETATM   29  S   UNL     1      -5.384  -0.229   1.496  1.00  0.00           S  
HETATM   30  O   UNL     1      -5.254   1.027   2.148  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.797  -0.277   0.932  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.171  -1.471   2.153  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.803  -1.378  -0.408  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.537  -0.140  -2.024  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.682  -0.113  -3.080  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.933  -1.354  -1.482  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.416  -2.644  -2.063  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.084  -2.976  -1.439  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.032  -3.704  -0.266  1.00  0.00           C  
HETATM   40  C   UNL     1       0.090  -2.550  -2.044  1.00  0.00           C  
HETATM   41  O   UNL     1       0.040  -1.833  -3.197  1.00  0.00           O  
HETATM   42  C   UNL     1       1.304  -2.851  -1.460  1.00  0.00           C  
HETATM   43  C   UNL     1       1.349  -3.575  -0.284  1.00  0.00           C  
HETATM   44  C   UNL     1       0.190  -4.007   0.306  1.00  0.00           C  
HETATM   45  S   UNL     1       0.258  -4.929   1.806  1.00  0.00           S  
HETATM   46  O   UNL     1       1.547  -5.524   1.853  1.00  0.00           O  
HETATM   47  O   UNL     1       0.203  -3.930   2.952  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.947  -5.680   1.870  1.00  0.00           O  
HETATM   49  H   UNL     1       5.210   0.127   3.487  1.00  0.00           H  
HETATM   50  H   UNL     1       4.301  -1.992  -0.074  1.00  0.00           H  
HETATM   51  H   UNL     1       2.416  -2.276  -3.188  1.00  0.00           H  
HETATM   52  H   UNL     1       3.358  -3.146  -1.954  1.00  0.00           H  
HETATM   53  H   UNL     1       4.166   2.271  -0.027  1.00  0.00           H  
HETATM   54  H   UNL     1       0.720  -0.014  -2.786  1.00  0.00           H  
HETATM   55  H   UNL     1       3.130   3.411  -1.849  1.00  0.00           H  
HETATM   56  H   UNL     1       2.290   2.516  -3.136  1.00  0.00           H  
HETATM   57  H   UNL     1       1.967   4.023   0.201  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.327   7.010   2.161  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.293   3.800   0.193  1.00  0.00           H  
HETATM   60  H   UNL     1       0.002   2.311  -3.963  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.366   3.109  -1.902  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.433   2.250  -3.149  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.253   1.940   0.008  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.489  -0.299   1.607  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.113  -2.323   0.014  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.120  -0.056  -3.940  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.124  -3.446  -1.856  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.295  -2.534  -3.141  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.946  -4.035   0.204  1.00  0.00           H  
HETATM   70  H   UNL     1       0.131  -2.369  -3.997  1.00  0.00           H  
HETATM   71  H   UNL     1       2.300  -3.815   0.166  1.00  0.00           H  
HETATM   72  H   UNL     1       0.234  -4.335   3.829  1.00  0.00           H  
CONECT    1    2   49                                                 
CONECT    2    1    4    4    3                                       
CONECT    2    3    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    9    9    6                                       
CONECT    6    5    7    7   50                                       
CONECT    7    6    6   11    8                                       
CONECT    8    7   42   51   52                                       
CONECT    9    5    5   10   53                                       
CONECT   10    9   13   11   11                                       
CONECT   11    7   10   10   12                                       
CONECT   12   11   54                                                 
CONECT   13   10   14   55   56                                       
CONECT   14   13   15   15   22                                       
CONECT   15   14   14   16   57                                       
CONECT   16   15   17   21   21                                       
CONECT   17   16   20   20   18                                       
CONECT   17   18   19                                                 
CONECT   18   17   17                                                 
CONECT   19   17   58                                                 
CONECT   20   17   17                                                 
CONECT   21   16   16   24   59                                       
CONECT   22   14   23   24   24                                       
CONECT   23   22   60                                                 
CONECT   24   21   22   22   25                                       
CONECT   25   24   26   61   62                                       
CONECT   26   25   34   34   27                                       
CONECT   27   26   28   28   63                                       
CONECT   28   27   27   33   29                                       
CONECT   29   28   32   32   30                                       
CONECT   29   30   31                                                 
CONECT   30   29   29                                                 
CONECT   31   29   64                                                 
CONECT   32   29   29                                                 
CONECT   33   28   36   36   65                                       
CONECT   34   26   26   35   36                                       
CONECT   35   34   66                                                 
CONECT   36   33   33   34   37                                       
CONECT   37   36   38   67   68                                       
CONECT   38   37   40   40   39                                       
CONECT   39   38   44   44   69                                       
CONECT   40   38   38   42   41                                       
CONECT   41   40   70                                                 
CONECT   42    8   40   43   43                                       
CONECT   43   42   42   44   71                                       
CONECT   44   39   39   43   45                                       
CONECT   45   44   46   46   48                                       
CONECT   45   48   47                                                 
CONECT   46   45   45                                                 
CONECT   47   45   72                                                 
CONECT   48   45   45                                                 
CONECT   49    1                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
CONECT   70   41                                                      
CONECT   71   43                                                      
CONECT   72   47                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
