COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.474  -1.532   1.865  1.00  0.00           O  
HETATM    2  S   UNL     1       7.051  -0.797   0.795  1.00  0.00           S  
HETATM    3  O   UNL     1       8.368  -0.271   0.893  1.00  0.00           O  
HETATM    4  C   UNL     1       6.834  -1.680  -0.775  1.00  0.00           C  
HETATM    5  N   UNL     1       6.087   0.542   0.652  1.00  0.00           N  
HETATM    6  C   UNL     1       4.701   0.397   0.555  1.00  0.00           C  
HETATM    7  C   UNL     1       4.030  -0.476   1.403  1.00  0.00           C  
HETATM    8  C   UNL     1       3.988   1.131  -0.389  1.00  0.00           C  
HETATM    9  C   UNL     1       2.626   0.984  -0.482  1.00  0.00           C  
HETATM   10  S   UNL     1       1.703   1.912  -1.670  1.00  0.00           S  
HETATM   11  O   UNL     1       2.559   2.001  -2.800  1.00  0.00           O  
HETATM   12  O   UNL     1       1.281   3.074  -0.969  1.00  0.00           O  
HETATM   13  C   UNL     1       0.292   0.812  -2.010  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.184   0.239  -0.700  1.00  0.00           C  
HETATM   15  N   UNL     1       0.595  -0.062   0.275  1.00  0.00           N  
HETATM   16  C   UNL     1       1.939   0.102   0.359  1.00  0.00           C  
HETATM   17  C   UNL     1       2.665  -0.626   1.311  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.623   0.012  -0.528  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.459   1.045  -0.098  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.953   2.271   0.166  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.192  -1.260  -0.801  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.487  -2.179  -1.182  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.516  -1.444  -0.637  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.104  -2.756  -0.918  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.084  -3.608   0.353  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.698  -4.978   0.060  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.818  -5.727  -0.943  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.792  -5.783   1.357  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.336  -0.400  -0.200  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.845   0.792   0.057  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.742   1.874   0.511  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.005   2.070   0.081  1.00  0.00           C  
HETATM   33  S   UNL     1      -4.332   3.102   1.702  1.00  0.00           S  
HETATM   34  C   UNL     1      -5.924   3.832   1.544  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.648   3.149   0.652  1.00  0.00           C  
HETATM   36  H   UNL     1       5.784  -1.946  -0.900  1.00  0.00           H  
HETATM   37  H   UNL     1       7.147  -1.039  -1.599  1.00  0.00           H  
HETATM   38  H   UNL     1       7.440  -2.586  -0.769  1.00  0.00           H  
HETATM   39  H   UNL     1       6.484   1.427   0.637  1.00  0.00           H  
HETATM   40  H   UNL     1       4.584  -1.040   2.139  1.00  0.00           H  
HETATM   41  H   UNL     1       4.504   1.816  -1.046  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.513   1.379  -2.478  1.00  0.00           H  
HETATM   43  H   UNL     1       0.606   0.005  -2.672  1.00  0.00           H  
HETATM   44  H   UNL     1       2.152  -1.307   1.975  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.622   2.937   0.374  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.134  -2.629  -1.253  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.527  -3.254  -1.697  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.055  -3.735   0.689  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.661  -3.110   1.133  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.696  -4.846  -0.360  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.256  -6.703  -1.153  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.751  -5.153  -1.867  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.821  -5.858  -0.524  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.419  -5.250   2.071  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.230  -6.760   1.148  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.795  -5.915   1.776  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.476   1.434  -0.653  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.266   4.700   2.088  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.662   3.421   0.398  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   36   37   38                                       
CONECT    5    2    6   39                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   17   40                                       
CONECT    8    6    9    9   41                                       
CONECT    9    8    8   10   16                                       
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   42   43                                       
CONECT   14   13   15   15   18                                       
CONECT   15   14   14   16                                            
CONECT   16    9   15   17   17                                       
CONECT   17    7   16   16   44                                       
CONECT   18   14   19   19   21                                       
CONECT   19   18   18   20   30                                       
CONECT   20   19   45                                                 
CONECT   21   18   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   29                                            
CONECT   24   23   25   46   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   25   27   28   50                                       
CONECT   27   26   51   52   53                                       
CONECT   28   26   54   55   56                                       
CONECT   29   23   30   30                                            
CONECT   30   19   29   29   31                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31   35   57                                       
CONECT   33   31   34                                                 
CONECT   34   33   35   35   58                                       
CONECT   35   32   34   34   59                                       
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   32                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
