COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.515  -1.737  -2.426  1.00  0.00           O  
HETATM    2  S   UNL     1       2.580  -2.333  -1.137  1.00  0.00           S  
HETATM    3  O   UNL     1       3.056  -3.657  -0.941  1.00  0.00           O  
HETATM    4  C   UNL     1       3.259  -1.189   0.095  1.00  0.00           C  
HETATM    5  C   UNL     1       4.750  -0.976  -0.173  1.00  0.00           C  
HETATM    6  N   UNL     1       5.301  -0.049   0.825  1.00  0.00           N  
HETATM    7  C   UNL     1       6.727   0.110   0.511  1.00  0.00           C  
HETATM    8  C   UNL     1       7.366   1.069   1.518  1.00  0.00           C  
HETATM    9  C   UNL     1       8.852   1.235   1.192  1.00  0.00           C  
HETATM   10  O   UNL     1       9.448   2.131   2.132  1.00  0.00           O  
HETATM   11  C   UNL     1       0.883  -2.456  -0.678  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.042  -1.579  -1.214  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.373  -1.673  -0.857  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.781  -2.650   0.042  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.850  -3.529   0.579  1.00  0.00           C  
HETATM   16  C   UNL     1       0.479  -3.433   0.213  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.128  -2.748   0.406  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.904  -1.604   0.503  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.322  -0.419   0.363  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.023   0.704   0.443  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.401   0.620   0.690  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.399   1.526   0.835  1.00  0.00           N  
HETATM   23  C   UNL     1      -7.520   0.904   1.057  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.312  -0.444   1.067  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.976  -0.655   0.838  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.201  -1.729   0.738  1.00  0.00           N  
HETATM   27  O   UNL     1      -3.419   1.907   0.293  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.034   1.648   0.056  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.290   2.974  -0.123  1.00  0.00           C  
HETATM   30  C   UNL     1       0.210   2.703  -0.252  1.00  0.00           C  
HETATM   31  C   UNL     1       0.953   4.029  -0.430  1.00  0.00           C  
HETATM   32  C   UNL     1       0.451   4.729  -1.694  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.050   4.999  -1.565  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.793   3.674  -1.386  1.00  0.00           C  
HETATM   35  H   UNL     1       3.126  -1.607   1.093  1.00  0.00           H  
HETATM   36  H   UNL     1       2.739  -0.233   0.030  1.00  0.00           H  
HETATM   37  H   UNL     1       4.884  -0.557  -1.171  1.00  0.00           H  
HETATM   38  H   UNL     1       5.271  -1.931  -0.108  1.00  0.00           H  
HETATM   39  H   UNL     1       5.250  -0.519   1.716  1.00  0.00           H  
HETATM   40  H   UNL     1       6.835   0.515  -0.495  1.00  0.00           H  
HETATM   41  H   UNL     1       7.222  -0.859   0.568  1.00  0.00           H  
HETATM   42  H   UNL     1       7.258   0.664   2.524  1.00  0.00           H  
HETATM   43  H   UNL     1       6.871   2.039   1.461  1.00  0.00           H  
HETATM   44  H   UNL     1       8.959   1.640   0.185  1.00  0.00           H  
HETATM   45  H   UNL     1       9.347   0.266   1.248  1.00  0.00           H  
HETATM   46  H   UNL     1      10.382   2.208   1.891  1.00  0.00           H  
HETATM   47  H   UNL     1       0.277  -0.820  -1.913  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.094  -0.988  -1.275  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.164  -4.289   1.279  1.00  0.00           H  
HETATM   50  H   UNL     1       1.204  -4.117   0.630  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.518  -3.616   0.590  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.476   1.385   1.209  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.984  -1.128   1.212  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.615   1.108   0.905  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.926   1.047  -0.846  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.472   3.611   0.743  1.00  0.00           H  
HETATM   57  H   UNL     1       0.568   2.204   0.649  1.00  0.00           H  
HETATM   58  H   UNL     1       0.391   2.066  -1.117  1.00  0.00           H  
HETATM   59  H   UNL     1       0.772   4.666   0.435  1.00  0.00           H  
HETATM   60  H   UNL     1       2.022   3.836  -0.522  1.00  0.00           H  
HETATM   61  H   UNL     1       0.980   5.673  -1.822  1.00  0.00           H  
HETATM   62  H   UNL     1       0.632   4.091  -2.560  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.231   5.637  -0.700  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.408   5.498  -2.465  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.612   3.036  -2.252  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.862   3.867  -1.294  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   35   36                                       
CONECT    5    4    6   37   38                                       
CONECT    6    5    7   39                                            
CONECT    7    6    8   40   41                                       
CONECT    8    7    9   42   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10    9   46                                                 
CONECT   11    2   12   16   16                                       
CONECT   12   11   13   13   47                                       
CONECT   13   12   12   14   48                                       
CONECT   14   13   15   15   17                                       
CONECT   15   14   14   16   49                                       
CONECT   16   11   11   15   50                                       
CONECT   17   14   18   51                                            
CONECT   18   17   19   19   26                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21   27                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   52                                       
CONECT   24   23   25   53                                            
CONECT   25   21   24   26   26                                       
CONECT   26   18   25   25                                            
CONECT   27   20   28                                                 
CONECT   28   27   29   54   55                                       
CONECT   29   28   30   34   56                                       
CONECT   30   29   31   57   58                                       
CONECT   31   30   32   59   60                                       
CONECT   32   31   33   61   62                                       
CONECT   33   32   34   63   64                                       
CONECT   34   29   33   65   66                                       
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
