COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.550   0.193  -5.868  1.00  0.00           S  
HETATM    2  O   UNL     1       0.665   0.202  -6.603  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.645  -0.683  -6.099  1.00  0.00           O  
HETATM    4  N   UNL     1      -1.166   1.725  -5.997  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.090  -0.048  -4.184  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.834  -0.535  -3.163  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.281  -0.643  -1.883  1.00  0.00           C  
HETATM    8  C   UNL     1       1.037  -0.244  -1.774  1.00  0.00           C  
HETATM    9  S   UNL     1       1.477   0.285  -3.390  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.962  -1.154  -0.659  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.453  -1.023   0.554  1.00  0.00           C  
HETATM   12  N   UNL     1       0.729  -0.371   0.883  1.00  0.00           N  
HETATM   13  S   UNL     1       1.937  -0.313  -0.276  1.00  0.00           S  
HETATM   14  O   UNL     1       2.574   0.948  -0.131  1.00  0.00           O  
HETATM   15  O   UNL     1       2.577  -1.581  -0.250  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.229  -1.642   1.688  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.565  -1.241   3.588  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.275  -0.183   4.434  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.165   0.572   3.612  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.368   1.250   2.641  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.660   0.229   1.750  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.745  -0.581   2.564  1.00  0.00           N  
HETATM   23  C   UNL     1       1.445  -0.513   3.183  1.00  0.00           C  
HETATM   24  C   UNL     1       0.903   0.220   2.136  1.00  0.00           C  
HETATM   25  C   UNL     1       0.537   1.546   2.336  1.00  0.00           C  
HETATM   26  C   UNL     1       0.708   2.131   3.576  1.00  0.00           C  
HETATM   27  C   UNL     1       1.242   1.400   4.620  1.00  0.00           C  
HETATM   28  C   UNL     1       1.609   0.076   4.427  1.00  0.00           C  
HETATM   29  O   UNL     1       2.134  -0.641   5.455  1.00  0.00           O  
HETATM   30  C   UNL     1       2.182   0.231   6.585  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.478   2.051  -6.856  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.214   2.296  -5.215  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.855  -0.840  -3.337  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.913  -1.653  -0.768  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.062  -2.218   1.286  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.574  -2.299   2.260  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.306  -1.878   3.106  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.926  -1.849   4.229  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.842  -0.673   5.226  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.536   0.483   4.877  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.007   1.886   2.028  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.626   1.866   3.149  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.094   0.752   0.979  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.400  -0.418   1.281  1.00  0.00           H  
HETATM   45  H   UNL     1       1.730  -1.543   3.031  1.00  0.00           H  
HETATM   46  H   UNL     1       0.119   2.120   1.522  1.00  0.00           H  
HETATM   47  H   UNL     1       0.423   3.162   3.730  1.00  0.00           H  
HETATM   48  H   UNL     1       1.374   1.860   5.588  1.00  0.00           H  
HETATM   49  H   UNL     1       2.598  -0.302   7.439  1.00  0.00           H  
HETATM   50  H   UNL     1       2.809   1.092   6.353  1.00  0.00           H  
HETATM   51  H   UNL     1       1.174   0.570   6.825  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4    5                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   31   32                                            
CONECT    5    1    6    6    9                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   13                                       
CONECT    9    5    8                                                 
CONECT   10    7   11   11   34                                       
CONECT   11   10   10   12   16                                       
CONECT   12   11   13   24                                            
CONECT   13    8   12   14   14                                       
CONECT   13   15   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   11   22   35   36                                       
CONECT   17   18   22   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   41   42                                       
CONECT   21   20   22   43   44                                       
CONECT   22   16   17   21                                            
CONECT   23   24   24   28   45                                       
CONECT   24   12   23   23   25                                       
CONECT   25   24   26   26   46                                       
CONECT   26   25   25   27   47                                       
CONECT   27   26   28   28   48                                       
CONECT   28   23   27   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   49   50   51                                       
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
