COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.555  -1.514   0.053  1.00  0.00           N  
HETATM    2  N   UNL     1       5.639   2.039   0.131  1.00  0.00           N  
HETATM    3  C   UNL     1       2.309  -2.401  -0.105  1.00  0.00           C  
HETATM    4  C   UNL     1       3.182  -1.325  -0.043  1.00  0.00           C  
HETATM    5  C   UNL     1       2.679  -0.012  -0.078  1.00  0.00           C  
HETATM    6  C   UNL     1       5.396  -0.467   0.112  1.00  0.00           C  
HETATM    7  C   UNL     1       3.641   1.101  -0.010  1.00  0.00           C  
HETATM    8  C   UNL     1       4.993   4.455   0.086  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.217  -0.823   0.613  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.914   0.162  -1.564  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.282  -1.686   1.940  1.00  0.00           C  
HETATM   12  C   UNL     1       1.310   0.208  -0.174  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.019  -0.654  -0.337  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.859  -1.037   0.708  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.750  -0.226  -0.524  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.554  -0.045  -1.471  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.119   2.724  -0.448  1.00  0.00           C  
HETATM   18  C   UNL     1       0.444  -0.878  -0.235  1.00  0.00           C  
HETATM   19  C   UNL     1       0.950  -2.181  -0.200  1.00  0.00           C  
HETATM   20  C   UNL     1       4.725   2.972   0.067  1.00  0.00           C  
HETATM   21  N   UNL     1       4.973   0.805   0.083  1.00  0.00           N  
HETATM   22  N   UNL     1       3.521   2.410  -0.018  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.127  -0.015  -0.620  1.00  0.00           N  
HETATM   24  O   UNL     1       6.589  -0.683   0.196  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.395   1.004   1.573  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.218   1.115  -0.096  1.00  0.00           O  
HETATM   27  S   UNL     1      -5.840   1.208   0.239  1.00  0.00           S  
HETATM   28 CL   UNL     1      -0.139  -3.531  -0.276  1.00  0.00          Cl  
HETATM   29  H   UNL     1       4.912  -2.415   0.082  1.00  0.00           H  
HETATM   30  H   UNL     1       2.692  -3.410  -0.078  1.00  0.00           H  
HETATM   31  H   UNL     1       5.130   4.812  -0.934  1.00  0.00           H  
HETATM   32  H   UNL     1       4.148   4.971   0.542  1.00  0.00           H  
HETATM   33  H   UNL     1       5.895   4.653   0.665  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.869  -1.124   1.420  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.330   0.626  -2.447  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.027  -0.917   2.669  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.017  -2.365   2.371  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.385  -2.243   1.671  1.00  0.00           H  
HETATM   39  H   UNL     1       0.922   1.216  -0.201  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.906   0.252  -2.282  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.423   2.831  -1.490  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.470   3.584   0.123  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.032   2.668  -0.390  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.666  -0.585  -1.191  1.00  0.00           H  
CONECT    1    4    6   29                                            
CONECT    2   21   20   20                                            
CONECT    3   19   19    4   30                                       
CONECT    4    3    1    5    5                                       
CONECT    5    4    4   12    7                                       
CONECT    6    1   24   24   21                                       
CONECT    7    5   21   22   22                                       
CONECT    8   20   31   32   33                                       
CONECT    9   14   14   15   34                                       
CONECT   10   16   15   15   35                                       
CONECT   11   14   36   37   38                                       
CONECT   12   18   18    5   39                                       
CONECT   13   18   16   16   14                                       
CONECT   14   13   11    9    9                                       
CONECT   15   10   10    9   23                                       
CONECT   16   13   13   10   40                                       
CONECT   17   27   41   42   43                                       
CONECT   18   19   13   12   12                                       
CONECT   19   28    3    3   18                                       
CONECT   20    2    2   22    8                                       
CONECT   21    6    7    2                                            
CONECT   22    7    7   20                                            
CONECT   23   15   27   44                                            
CONECT   24    6    6                                                 
CONECT   25   27   27                                                 
CONECT   26   27   27                                                 
CONECT   27   23   26   26   25                                       
CONECT   27   25   17                                                 
CONECT   28   19                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
