COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.662  -0.938  -0.918  1.00  0.00           O  
HETATM    2  S   UNL     1       5.080   0.089  -0.029  1.00  0.00           S  
HETATM    3  O   UNL     1       6.351   0.099   0.605  1.00  0.00           O  
HETATM    4  N   UNL     1       4.966   1.510  -0.872  1.00  0.00           N  
HETATM    5  O   UNL     1       4.044   0.141   1.084  1.00  0.00           O  
HETATM    6  C   UNL     1       2.765  -0.045   0.660  1.00  0.00           C  
HETATM    7  C   UNL     1       2.229  -1.320   0.607  1.00  0.00           C  
HETATM    8  C   UNL     1       1.988   1.045   0.281  1.00  0.00           C  
HETATM    9  O   UNL     1       2.503   2.303   0.335  1.00  0.00           O  
HETATM   10  C   UNL     1       1.646   3.372  -0.069  1.00  0.00           C  
HETATM   11  C   UNL     1       0.689   0.844  -0.151  1.00  0.00           C  
HETATM   12  C   UNL     1       0.158  -0.436  -0.207  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.260  -0.601  -0.689  1.00  0.00           C  
HETATM   14  C   UNL     1       0.925  -1.515   0.176  1.00  0.00           C  
HETATM   15  C   UNL     1       0.383  -2.922   0.148  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.872  -2.980  -0.723  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.786  -1.912  -0.298  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.134  -2.123  -0.842  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.091  -1.148  -0.206  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.302   0.090  -0.783  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.762  -1.495   0.952  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.640  -0.603   1.539  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.850   0.638   0.969  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.183   0.986  -0.196  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.391   2.204  -0.762  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.312   3.076  -0.103  1.00  0.00           C  
HETATM   27  H   UNL     1       4.750   1.498  -1.817  1.00  0.00           H  
HETATM   28  H   UNL     1       5.116   2.355  -0.419  1.00  0.00           H  
HETATM   29  H   UNL     1       2.829  -2.168   0.903  1.00  0.00           H  
HETATM   30  H   UNL     1       0.085   1.689  -0.446  1.00  0.00           H  
HETATM   31  H   UNL     1       2.179   4.319   0.023  1.00  0.00           H  
HETATM   32  H   UNL     1       1.344   3.224  -1.105  1.00  0.00           H  
HETATM   33  H   UNL     1       0.762   3.390   0.569  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.882   0.181  -0.252  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.283  -0.514  -1.775  1.00  0.00           H  
HETATM   36  H   UNL     1       1.138  -3.592  -0.262  1.00  0.00           H  
HETATM   37  H   UNL     1       0.135  -3.234   1.162  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.601  -2.832  -1.768  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.358  -3.948  -0.601  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.119  -1.965  -1.921  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.458  -3.141  -0.628  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.781   0.359  -1.690  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.599  -2.465   1.400  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.163  -0.876   2.444  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.537   1.334   1.428  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.385   4.012  -0.657  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.292   2.603  -0.058  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.960   3.280   0.908  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   27   28                                            
CONECT    5    2    6                                                 
CONECT    6    5    7    8    8                                       
CONECT    7    6   14   14   29                                       
CONECT    8    6    6    9   11                                       
CONECT    9    8   10                                                 
CONECT   10    9   31   32   33                                       
CONECT   11    8   12   12   30                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   17   34   35                                       
CONECT   14    7    7   12   15                                       
CONECT   15   14   16   36   37                                       
CONECT   16   15   17   38   39                                       
CONECT   17   13   16   18                                            
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   24   24   42                                       
CONECT   21   19   19   22   43                                       
CONECT   22   21   23   23   44                                       
CONECT   23   22   22   24   45                                       
CONECT   24   20   20   23   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   46   47   48                                       
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
