COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.409   2.999   0.427  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.922   2.179  -0.507  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.845   4.133   0.526  1.00  0.00           O  
HETATM    4  S   UNL     1      10.173   2.755  -0.844  1.00  0.00           S  
HETATM    5  C   UNL     1      -5.383   2.577   1.299  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.444  -1.501   1.267  1.00  0.00           N  
HETATM    7  O   UNL     1      -7.981   0.470  -2.441  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.887   1.318   1.212  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.954  -2.824   1.060  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.438   0.417   0.198  1.00  0.00           C  
HETATM   11  O   UNL     1       4.874  -2.661  -1.064  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.456   0.888  -0.650  1.00  0.00           C  
HETATM   13  O   UNL     1       6.044  -0.280  -0.323  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.988   0.036  -1.620  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.501  -1.252  -1.739  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.489  -1.706  -0.905  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.966  -0.893   0.061  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.872  -1.400   0.964  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.511  -1.007   0.386  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.119  -1.140   0.742  1.00  0.00           C  
HETATM   21  C   UNL     1       0.964  -1.671   1.684  1.00  0.00           C  
HETATM   22  C   UNL     1       2.322  -1.301   1.146  1.00  0.00           C  
HETATM   23  C   UNL     1       2.909  -0.107   1.518  1.00  0.00           C  
HETATM   24  C   UNL     1       4.155   0.237   1.027  1.00  0.00           C  
HETATM   25  C   UNL     1       4.818  -0.617   0.161  1.00  0.00           C  
HETATM   26  C   UNL     1       4.227  -1.820  -0.213  1.00  0.00           C  
HETATM   27  C   UNL     1       2.981  -2.161   0.286  1.00  0.00           C  
HETATM   28  C   UNL     1       4.207  -3.878  -1.405  1.00  0.00           C  
HETATM   29  C   UNL     1       6.589   0.970   0.104  1.00  0.00           C  
HETATM   30  C   UNL     1       7.962   1.174  -0.539  1.00  0.00           C  
HETATM   31  C   UNL     1       8.545   2.513  -0.082  1.00  0.00           C  
HETATM   32  H   UNL     1      -7.629   2.499  -1.088  1.00  0.00           H  
HETATM   33  H   UNL     1      10.559   3.950  -0.361  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.991   3.260   2.039  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.565  -1.160   2.208  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.664   0.878  -3.259  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.101   0.988   1.875  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.861  -3.281   0.213  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.913  -1.912  -2.489  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.120  -2.715  -1.011  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.986  -0.962   1.955  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.447   0.079   0.313  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.396  -1.445  -0.605  1.00  0.00           H  
HETATM   44  H   UNL     1       0.012  -1.580  -0.247  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.040  -0.056   0.672  1.00  0.00           H  
HETATM   46  H   UNL     1       0.832  -1.232   2.673  1.00  0.00           H  
HETATM   47  H   UNL     1       0.884  -2.756   1.755  1.00  0.00           H  
HETATM   48  H   UNL     1       2.393   0.560   2.193  1.00  0.00           H  
HETATM   49  H   UNL     1       4.611   1.171   1.319  1.00  0.00           H  
HETATM   50  H   UNL     1       2.522  -3.096   0.001  1.00  0.00           H  
HETATM   51  H   UNL     1       3.256  -3.649  -1.886  1.00  0.00           H  
HETATM   52  H   UNL     1       4.830  -4.455  -2.088  1.00  0.00           H  
HETATM   53  H   UNL     1       4.026  -4.459  -0.500  1.00  0.00           H  
HETATM   54  H   UNL     1       5.922   1.779  -0.197  1.00  0.00           H  
HETATM   55  H   UNL     1       6.692   0.970   1.189  1.00  0.00           H  
HETATM   56  H   UNL     1       8.628   0.366  -0.238  1.00  0.00           H  
HETATM   57  H   UNL     1       7.858   1.175  -1.624  1.00  0.00           H  
HETATM   58  H   UNL     1       8.649   2.513   1.003  1.00  0.00           H  
HETATM   59  H   UNL     1       7.879   3.322  -0.383  1.00  0.00           H  
CONECT    1    2    3    3    5                                       
CONECT    2    1   12   32                                            
CONECT    3    1    1                                                 
CONECT    4   31   33                                                 
CONECT    5    1    8    8   34                                       
CONECT    6   19   20   35                                            
CONECT    7   14   36                                                 
CONECT    8    5    5   10   37                                       
CONECT    9   18   38                                                 
CONECT   10    8   12   12   17                                       
CONECT   11   26   28                                                 
CONECT   12    2   10   10   14                                       
CONECT   13   25   29                                                 
CONECT   14    7   12   15   15                                       
CONECT   15   14   14   16   39                                       
CONECT   16   15   17   17   40                                       
CONECT   17   10   16   16   18                                       
CONECT   18    9   17   19   41                                       
CONECT   19    6   18   42   43                                       
CONECT   20    6   21   44   45                                       
CONECT   21   20   22   46   47                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   13   24   24   26                                       
CONECT   26   11   25   27   27                                       
CONECT   27   22   26   26   50                                       
CONECT   28   11   51   52   53                                       
CONECT   29   13   30   54   55                                       
CONECT   30   29   31   56   57                                       
CONECT   31    4   30   58   59                                       
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
