COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.831   2.392  -0.165  1.00  0.00           O  
HETATM    2  S   UNL     1       3.609   1.721  -0.439  1.00  0.00           S  
HETATM    3  O   UNL     1       2.974   1.751  -1.710  1.00  0.00           O  
HETATM    4  C   UNL     1       3.878   0.022  -0.057  1.00  0.00           C  
HETATM    5  C   UNL     1       3.173  -0.958  -0.730  1.00  0.00           C  
HETATM    6  C   UNL     1       3.385  -2.292  -0.430  1.00  0.00           C  
HETATM    7 CL   UNL     1       2.499  -3.523  -1.276  1.00  0.00          Cl  
HETATM    8  C   UNL     1       4.302  -2.644   0.543  1.00  0.00           C  
HETATM    9  C   UNL     1       5.008  -1.663   1.215  1.00  0.00           C  
HETATM   10  C   UNL     1       4.799  -0.331   0.911  1.00  0.00           C  
HETATM   11  N   UNL     1       2.503   2.299   0.649  1.00  0.00           N  
HETATM   12  C   UNL     1       1.205   1.785   0.665  1.00  0.00           C  
HETATM   13  C   UNL     1       0.817   0.909   1.672  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.464   0.400   1.689  1.00  0.00           C  
HETATM   15  C   UNL     1       0.300   2.155  -0.324  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.982   1.650  -0.310  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.371   0.766   0.695  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.751   0.219   0.711  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.650   0.584  -0.278  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.946   0.064  -0.254  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.121   0.227  -1.112  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.202   1.022  -2.258  1.00  0.00           N  
HETATM   23  N   UNL     1      -7.081  -0.505  -0.612  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.325  -0.823   0.772  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.633  -1.162   0.538  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.403  -1.176   1.756  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.138  -0.669   1.723  1.00  0.00           C  
HETATM   28  H   UNL     1       2.456  -0.682  -1.490  1.00  0.00           H  
HETATM   29  H   UNL     1       4.468  -3.685   0.777  1.00  0.00           H  
HETATM   30  H   UNL     1       5.724  -1.938   1.975  1.00  0.00           H  
HETATM   31  H   UNL     1       5.354   0.435   1.434  1.00  0.00           H  
HETATM   32  H   UNL     1       2.757   2.994   1.276  1.00  0.00           H  
HETATM   33  H   UNL     1       1.520   0.627   2.441  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.765  -0.281   2.471  1.00  0.00           H  
HETATM   35  H   UNL     1       0.602   2.839  -1.103  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.685   1.937  -1.078  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.352   1.266  -1.061  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.430   1.532  -2.550  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.030   1.065  -2.762  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.164  -1.762   1.085  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.690  -1.856   2.544  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.429  -0.951   2.487  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    5   10                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   29                                       
CONECT    9    8   10   10   30                                       
CONECT   10    4    9    9   31                                       
CONECT   11    2   12   32                                            
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   33                                       
CONECT   14   13   17   17   34                                       
CONECT   15   12   16   16   35                                       
CONECT   16   15   15   17   36                                       
CONECT   17   14   14   16   18                                       
CONECT   18   17   19   19   27                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   24   24                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   38   39                                            
CONECT   23   21   21   25                                            
CONECT   24   20   20   25   26                                       
CONECT   25   23   24   40                                            
CONECT   26   24   27   27   41                                       
CONECT   27   18   26   26   42                                       
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
