COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.223  -1.259  -1.906  1.00  0.00           O  
HETATM    2  C   UNL     1       0.023  -0.556  -0.678  1.00  0.00           C  
HETATM    3  C   UNL     1       0.364  -1.474   0.497  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.417  -2.785   0.367  1.00  0.00           C  
HETATM    5  N   UNL     1       0.526  -3.908   0.274  1.00  0.00           N  
HETATM    6  C   UNL     1       1.372  -3.788  -0.921  1.00  0.00           C  
HETATM    7  C   UNL     1       2.204  -2.506  -0.828  1.00  0.00           C  
HETATM    8  C   UNL     1       1.865  -1.790   0.485  1.00  0.00           C  
HETATM    9  C   UNL     1       2.176  -2.735   1.652  1.00  0.00           C  
HETATM   10  C   UNL     1       1.345  -4.011   1.490  1.00  0.00           C  
HETATM   11  C   UNL     1       0.917   0.657  -0.643  1.00  0.00           C  
HETATM   12  C   UNL     1       1.317   1.348  -1.711  1.00  0.00           C  
HETATM   13  C   UNL     1       2.138   2.429  -1.433  1.00  0.00           C  
HETATM   14  C   UNL     1       2.402   2.615  -0.138  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.396   3.883   0.509  1.00  0.00          Cl  
HETATM   16  S   UNL     1       1.585   1.382   0.814  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.416  -0.122  -0.576  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.334  -0.275  -1.531  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.595   0.201  -1.211  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.699   0.741   0.006  1.00  0.00           C  
HETATM   21 CL   UNL     1      -5.149   1.416   0.681  1.00  0.00          Cl  
HETATM   22  S   UNL     1      -2.144   0.655   0.824  1.00  0.00           S  
HETATM   23  H   UNL     1      -0.321  -2.053  -1.997  1.00  0.00           H  
HETATM   24  H   UNL     1       0.102  -0.982   1.434  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.054  -2.917   1.242  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.034  -2.753  -0.531  1.00  0.00           H  
HETATM   27  H   UNL     1       2.038  -4.650  -0.983  1.00  0.00           H  
HETATM   28  H   UNL     1       0.743  -3.750  -1.810  1.00  0.00           H  
HETATM   29  H   UNL     1       3.264  -2.757  -0.845  1.00  0.00           H  
HETATM   30  H   UNL     1       1.967  -1.856  -1.671  1.00  0.00           H  
HETATM   31  H   UNL     1       2.442  -0.869   0.570  1.00  0.00           H  
HETATM   32  H   UNL     1       3.236  -2.987   1.646  1.00  0.00           H  
HETATM   33  H   UNL     1       1.921  -2.249   2.594  1.00  0.00           H  
HETATM   34  H   UNL     1       0.695  -4.135   2.357  1.00  0.00           H  
HETATM   35  H   UNL     1       2.010  -4.870   1.408  1.00  0.00           H  
HETATM   36  H   UNL     1       1.025   1.084  -2.716  1.00  0.00           H  
HETATM   37  H   UNL     1       2.533   3.072  -2.205  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.112  -0.734  -2.483  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.428   0.145  -1.895  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2   17    1   11    3                                       
CONECT    3    2    4    8   24                                       
CONECT    4    3    5   25   26                                       
CONECT    5    4    6   10                                            
CONECT    6    5    7   27   28                                       
CONECT    7    6    8   29   30                                       
CONECT    8    3    7    9   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    5    9   34   35                                       
CONECT   11   16    2   12   12                                       
CONECT   12   11   11   13   36                                       
CONECT   13   14   14   12   37                                       
CONECT   14   16   15   13   13                                       
CONECT   15   14                                                      
CONECT   16   14   11                                                 
CONECT   17   18   18   22    2                                       
CONECT   18   19   17   17   38                                       
CONECT   19   20   20   18   39                                       
CONECT   20   21   19   19   22                                       
CONECT   21   20                                                      
CONECT   22   20   17                                                 
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
