COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.844   0.736  -0.101  1.00  0.00           N  
HETATM    2  N   UNL     1       0.238   0.643   0.095  1.00  0.00           N  
HETATM    3  C   UNL     1       0.598  -3.085  -0.928  1.00  0.00           C  
HETATM    4  C   UNL     1       0.026  -2.301   0.073  1.00  0.00           C  
HETATM    5  C   UNL     1       0.810  -1.860   1.138  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.409  -1.937   0.005  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.265  -0.472  -0.078  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.124   1.834  -0.061  1.00  0.00           C  
HETATM    9  C   UNL     1       0.976   1.898   0.265  1.00  0.00           C  
HETATM   10  C   UNL     1       3.191   1.603  -0.862  1.00  0.00           C  
HETATM   11  C   UNL     1       5.168   1.067   0.391  1.00  0.00           C  
HETATM   12  C   UNL     1       2.146  -2.201   1.196  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.143   0.658   0.028  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.382  -2.846  -0.046  1.00  0.00           C  
HETATM   15  C   UNL     1       2.455   1.609   0.307  1.00  0.00           C  
HETATM   16  C   UNL     1       4.550   1.332  -0.823  1.00  0.00           C  
HETATM   17  C   UNL     1       4.430   1.084   1.558  1.00  0.00           C  
HETATM   18  C   UNL     1       3.074   1.349   1.516  1.00  0.00           C  
HETATM   19  C   UNL     1       2.707  -2.979   0.199  1.00  0.00           C  
HETATM   20  C   UNL     1       1.933  -3.424  -0.857  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.874  -0.556  -0.012  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.804   1.806   0.002  1.00  0.00           N  
HETATM   23  O   UNL     1       5.276   1.326  -1.972  1.00  0.00           O  
HETATM   24  S   UNL     1      -3.960  -2.086  -0.118  1.00  0.00           S  
HETATM   25 CL   UNL     1      -3.931   3.371  -0.093  1.00  0.00          Cl  
HETATM   26  H   UNL     1       0.718  -0.197   0.029  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.005  -3.430  -1.756  1.00  0.00           H  
HETATM   28  H   UNL     1       0.373  -1.252   1.916  1.00  0.00           H  
HETATM   29  H   UNL     1       0.760   2.563  -0.570  1.00  0.00           H  
HETATM   30  H   UNL     1       0.673   2.374   1.197  1.00  0.00           H  
HETATM   31  H   UNL     1       2.707   1.805  -1.806  1.00  0.00           H  
HETATM   32  H   UNL     1       6.228   0.860   0.424  1.00  0.00           H  
HETATM   33  H   UNL     1       2.754  -1.859   2.020  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.219  -3.913  -0.042  1.00  0.00           H  
HETATM   35  H   UNL     1       4.911   0.878   2.503  1.00  0.00           H  
HETATM   36  H   UNL     1       2.498   1.362   2.430  1.00  0.00           H  
HETATM   37  H   UNL     1       3.753  -3.243   0.248  1.00  0.00           H  
HETATM   38  H   UNL     1       2.377  -4.032  -1.632  1.00  0.00           H  
HETATM   39  H   UNL     1       5.318   0.463  -2.407  1.00  0.00           H  
CONECT    1    7    7    8                                            
CONECT    2    9   13   26                                            
CONECT    3   20    4    4   27                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4   12   12   28                                       
CONECT    6    4   21   14   14                                       
CONECT    7   21   24    1    1                                       
CONECT    8   22   22    1   25                                       
CONECT    9   15    2   29   30                                       
CONECT   10   16   16   15   31                                       
CONECT   11   17   17   16   32                                       
CONECT   12   19    5    5   33                                       
CONECT   13    2   21   21   22                                       
CONECT   14    6    6   24   34                                       
CONECT   15   18   18   10    9                                       
CONECT   16   11   23   10   10                                       
CONECT   17   11   11   18   35                                       
CONECT   18   17   15   15   36                                       
CONECT   19   20   20   12   37                                       
CONECT   20   19   19    3   38                                       
CONECT   21    6   13   13    7                                       
CONECT   22   13    8    8                                            
CONECT   23   16   39                                                 
CONECT   24   14    7                                                 
CONECT   25    8                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
