COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.162   1.347   0.012  1.00  0.00           N  
HETATM    2  C   UNL     1       2.890   0.848   0.014  1.00  0.00           C  
HETATM    3  N   UNL     1       2.931  -0.463   0.001  1.00  0.00           N  
HETATM    4  C   UNL     1       4.224  -0.876  -0.009  1.00  0.00           C  
HETATM    5  C   UNL     1       4.842  -2.136  -0.024  1.00  0.00           C  
HETATM    6  N   UNL     1       6.146  -2.255  -0.031  1.00  0.00           N  
HETATM    7  C   UNL     1       6.961  -1.192  -0.025  1.00  0.00           C  
HETATM    8  C   UNL     1       6.422   0.119  -0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       5.022   0.275  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1       8.356  -1.354  -0.033  1.00  0.00           C  
HETATM   11  C   UNL     1       9.166  -0.259  -0.027  1.00  0.00           C  
HETATM   12  C   UNL     1       8.634   1.027  -0.012  1.00  0.00           C  
HETATM   13  C   UNL     1       7.285   1.223  -0.005  1.00  0.00           C  
HETATM   14  S   UNL     1       1.419   1.817   0.031  1.00  0.00           S  
HETATM   15  C   UNL     1       0.175   0.502   0.025  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.202   1.113   0.038  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.331   2.319   0.050  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.391   0.247   0.036  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.672   0.811   0.042  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.781  -0.007   0.040  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.630  -1.385   0.031  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.365  -1.950   0.025  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.247  -1.144   0.022  1.00  0.00           C  
HETATM   24  S   UNL     1      -6.394   0.701   0.049  1.00  0.00           S  
HETATM   25  O   UNL     1      -7.122   0.029   1.068  1.00  0.00           O  
HETATM   26 CL   UNL     1      -6.033  -2.407   0.029  1.00  0.00          Cl  
HETATM   27  O   UNL     1      -6.215   2.110   0.023  1.00  0.00           O  
HETATM   28  N   UNL     1      -7.115   0.295  -1.386  1.00  0.00           N  
HETATM   29  H   UNL     1       4.230  -3.026  -0.029  1.00  0.00           H  
HETATM   30  H   UNL     1       8.785  -2.345  -0.044  1.00  0.00           H  
HETATM   31  H   UNL     1      10.238  -0.391  -0.033  1.00  0.00           H  
HETATM   32  H   UNL     1       9.297   1.879  -0.007  1.00  0.00           H  
HETATM   33  H   UNL     1       6.883   2.226   0.006  1.00  0.00           H  
HETATM   34  H   UNL     1       0.294  -0.106  -0.872  1.00  0.00           H  
HETATM   35  H   UNL     1       0.304  -0.123   0.908  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.790   1.884   0.050  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.256  -3.024   0.018  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.262  -1.586   0.012  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.078   0.188  -1.431  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.575   0.165  -2.181  1.00  0.00           H  
HETATM   41  H   UNL     1       4.411   2.284   0.015  1.00  0.00           H  
CONECT    1    2    9   41                                            
CONECT    2    1   14    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   13                                       
CONECT    9    1    4    8    8                                       
CONECT   10    7   11   11   30                                       
CONECT   11   10   10   12   31                                       
CONECT   12   11   13   13   32                                       
CONECT   13    8   12   12   33                                       
CONECT   14    2   15                                                 
CONECT   15   14   16   34   35                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   23   23   19                                       
CONECT   19   18   20   20   36                                       
CONECT   20   19   19   21   24                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   37                                       
CONECT   23   18   18   22   38                                       
CONECT   24   20   28   25   25                                       
CONECT   24   27   27                                                 
CONECT   25   24   24                                                 
CONECT   26   21                                                      
CONECT   27   24   24                                                 
CONECT   28   24   39   40                                            
CONECT   29    5                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   28                                                      
CONECT   40   28                                                      
CONECT   41    1                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
