COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.968   1.999   1.139  1.00  0.00           O  
HETATM    2  S   UNL     1       2.966   1.667   0.184  1.00  0.00           S  
HETATM    3  O   UNL     1       3.651   2.639  -0.595  1.00  0.00           O  
HETATM    4  C   UNL     1       4.205   0.763   1.051  1.00  0.00           C  
HETATM    5  C   UNL     1       5.495   0.715   0.561  1.00  0.00           C  
HETATM    6  C   UNL     1       6.470   0.002   1.244  1.00  0.00           C  
HETATM    7  O   UNL     1       7.740  -0.046   0.764  1.00  0.00           O  
HETATM    8  C   UNL     1       8.692  -0.798   1.520  1.00  0.00           C  
HETATM    9  C   UNL     1       6.146  -0.660   2.419  1.00  0.00           C  
HETATM   10  C   UNL     1       4.854  -0.609   2.905  1.00  0.00           C  
HETATM   11  C   UNL     1       3.885   0.106   2.225  1.00  0.00           C  
HETATM   12  N   UNL     1       2.258   0.623  -0.889  1.00  0.00           N  
HETATM   13  C   UNL     1       2.798   0.487  -2.244  1.00  0.00           C  
HETATM   14  C   UNL     1       3.764  -0.699  -2.290  1.00  0.00           C  
HETATM   15  C   UNL     1       5.232  -0.402  -2.604  1.00  0.00           C  
HETATM   16  C   UNL     1       4.348  -1.082  -3.652  1.00  0.00           C  
HETATM   17  C   UNL     1       1.090  -0.163  -0.483  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.187   0.563  -0.908  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.249   0.623  -2.335  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.406  -0.194  -0.376  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.482  -1.569  -1.042  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.608  -2.362  -0.430  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.372  -3.160   0.674  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.405  -3.887   1.235  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.674  -3.816   0.693  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.911  -3.017  -0.411  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.878  -2.287  -0.969  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.622   0.563  -0.680  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.724   0.401   0.078  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.709  -0.373   1.012  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.976   1.180  -0.234  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.070   0.812   0.770  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.321   1.591   0.458  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.337   2.365  -0.476  1.00  0.00           O  
HETATM   35  N   UNL     1      -8.424   1.428   1.216  1.00  0.00           N  
HETATM   36  C   UNL     1      -9.640   2.186   0.912  1.00  0.00           C  
HETATM   37  H   UNL     1       5.745   1.232  -0.354  1.00  0.00           H  
HETATM   38  H   UNL     1       8.773  -0.378   2.522  1.00  0.00           H  
HETATM   39  H   UNL     1       8.364  -1.836   1.586  1.00  0.00           H  
HETATM   40  H   UNL     1       9.663  -0.754   1.027  1.00  0.00           H  
HETATM   41  H   UNL     1       6.903  -1.216   2.953  1.00  0.00           H  
HETATM   42  H   UNL     1       4.601  -1.125   3.820  1.00  0.00           H  
HETATM   43  H   UNL     1       2.877   0.148   2.610  1.00  0.00           H  
HETATM   44  H   UNL     1       1.982   0.317  -2.945  1.00  0.00           H  
HETATM   45  H   UNL     1       3.329   1.399  -2.517  1.00  0.00           H  
HETATM   46  H   UNL     1       3.553  -1.506  -1.589  1.00  0.00           H  
HETATM   47  H   UNL     1       5.510   0.638  -2.777  1.00  0.00           H  
HETATM   48  H   UNL     1       5.986  -1.013  -2.109  1.00  0.00           H  
HETATM   49  H   UNL     1       4.521  -2.140  -3.846  1.00  0.00           H  
HETATM   50  H   UNL     1       4.044  -0.489  -4.514  1.00  0.00           H  
HETATM   51  H   UNL     1       1.128  -1.142  -0.961  1.00  0.00           H  
HETATM   52  H   UNL     1       1.095  -0.288   0.600  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.182   1.575  -0.502  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.257  -0.243  -2.765  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.314  -0.317   0.703  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.662  -1.447  -2.110  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.541  -2.099  -0.891  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.380  -3.215   1.098  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.220  -4.510   2.097  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.481  -4.384   1.131  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.903  -2.962  -0.835  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.064  -1.660  -1.829  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.634   1.182  -1.427  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.765   2.247  -0.167  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.312   0.938  -1.242  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.280  -0.256   0.703  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.734   1.053   1.778  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.411   0.809   1.963  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.430   3.253   0.979  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.976   1.944  -0.096  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.420   1.923   1.628  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2   12    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5   11                                       
CONECT    5    4    4    6   37                                       
CONECT    6    5    7    9    9                                       
CONECT    7    6    8                                                 
CONECT    8    7   38   39   40                                       
CONECT    9    6    6   10   41                                       
CONECT   10    9   11   11   42                                       
CONECT   11    4   10   10   43                                       
CONECT   12    2   17   13                                            
CONECT   13   12   14   44   45                                       
CONECT   14   13   16   15   46                                       
CONECT   15   14   16   47   48                                       
CONECT   16   14   15   49   50                                       
CONECT   17   12   18   51   52                                       
CONECT   18   17   20   19   53                                       
CONECT   19   18   54                                                 
CONECT   20   18   28   21   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   58                                       
CONECT   24   23   23   25   59                                       
CONECT   25   24   26   26   60                                       
CONECT   26   25   25   27   61                                       
CONECT   27   22   22   26   62                                       
CONECT   28   20   29   63                                            
CONECT   29   28   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   64   65                                       
CONECT   32   31   33   66   67                                       
CONECT   33   32   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   68                                            
CONECT   36   35   69   70   71                                       
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
