COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.722   0.871  -1.981  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.919   1.153  -0.602  1.00  0.00           S  
HETATM    3  O   UNL     1      -3.279   2.439  -0.116  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.166   0.042  -0.040  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.030   0.192   1.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.075   1.354   2.028  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.780  -0.871   1.097  1.00  0.00           N  
HETATM    8  O   UNL     1      -5.511  -1.630   0.195  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.522  -1.151  -0.573  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.924  -1.810  -1.789  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.512   0.740   0.166  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.889  -0.560  -0.096  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.336  -1.563   0.969  1.00  0.00           C  
HETATM   14  C   UNL     1       0.611  -0.416  -0.052  1.00  0.00           C  
HETATM   15  C   UNL     1       1.395  -1.090  -0.970  1.00  0.00           C  
HETATM   16  C   UNL     1       2.769  -0.962  -0.935  1.00  0.00           C  
HETATM   17  C   UNL     1       1.198   0.395   0.903  1.00  0.00           C  
HETATM   18  C   UNL     1       2.571   0.531   0.947  1.00  0.00           C  
HETATM   19  C   UNL     1       3.365  -0.151   0.028  1.00  0.00           C  
HETATM   20  C   UNL     1       4.843  -0.010   0.072  1.00  0.00           C  
HETATM   21  C   UNL     1       5.590   1.111  -0.154  1.00  0.00           C  
HETATM   22  C   UNL     1       5.078   2.484  -0.505  1.00  0.00           C  
HETATM   23  O   UNL     1       6.870   0.745  -0.001  1.00  0.00           O  
HETATM   24  N   UNL     1       6.972  -0.426   0.281  1.00  0.00           N  
HETATM   25  C   UNL     1       5.813  -1.009   0.365  1.00  0.00           C  
HETATM   26  C   UNL     1       5.550  -2.454   0.701  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.100   1.359   0.789  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.774   2.103   1.659  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.400   1.004   3.008  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.081   1.794   2.112  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.089  -2.442  -1.485  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.681  -2.420  -2.281  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.568  -1.045  -2.479  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.191  -0.916  -1.081  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.421  -1.667   0.937  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.872  -2.530   0.774  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.034  -1.207   1.954  1.00  0.00           H  
HETATM   38  H   UNL     1       0.931  -1.718  -1.717  1.00  0.00           H  
HETATM   39  H   UNL     1       0.581   0.922   1.615  1.00  0.00           H  
HETATM   40  H   UNL     1       3.380  -1.490  -1.652  1.00  0.00           H  
HETATM   41  H   UNL     1       3.028   1.164   1.693  1.00  0.00           H  
HETATM   42  H   UNL     1       4.903   3.051   0.409  1.00  0.00           H  
HETATM   43  H   UNL     1       5.816   3.001  -1.118  1.00  0.00           H  
HETATM   44  H   UNL     1       4.145   2.392  -1.061  1.00  0.00           H  
HETATM   45  H   UNL     1       5.539  -3.044  -0.215  1.00  0.00           H  
HETATM   46  H   UNL     1       6.336  -2.822   1.361  1.00  0.00           H  
HETATM   47  H   UNL     1       4.585  -2.541   1.201  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    9    9                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   28   29   30                                       
CONECT    7    5    5    8                                            
CONECT    8    7    9                                                 
CONECT    9    4    4    8   10                                       
CONECT   10    9   31   32   33                                       
CONECT   11    2   12   27                                            
CONECT   12   11   13   14   34                                       
CONECT   13   12   35   36   37                                       
CONECT   14   12   15   17   17                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   19   40                                       
CONECT   17   14   14   18   39                                       
CONECT   18   17   19   19   41                                       
CONECT   19   16   18   18   20                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   42   43   44                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   25                                            
CONECT   25   20   24   24   26                                       
CONECT   26   25   45   46   47                                       
CONECT   27   11                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
