COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.482   0.497   0.382  1.00  0.00           C  
HETATM    2  C   UNL     1       2.846  -0.971   0.334  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.824   1.652   0.783  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.455   1.683   0.862  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.876  -0.760   0.215  1.00  0.00           C  
HETATM    6  C   UNL     1       2.474  -2.202  -0.085  1.00  0.00           C  
HETATM    7  C   UNL     1       4.217  -0.501   0.555  1.00  0.00           C  
HETATM    8  O   UNL     1       3.317  -3.220  -0.374  1.00  0.00           O  
HETATM    9  C   UNL     1       1.000  -2.259  -0.177  1.00  0.00           C  
HETATM   10  O   UNL     1       0.360  -3.231  -0.525  1.00  0.00           O  
HETATM   11  C   UNL     1       1.578  -0.173   0.525  1.00  0.00           C  
HETATM   12  C   UNL     1       1.569   1.027  -0.386  1.00  0.00           C  
HETATM   13  C   UNL     1       1.826   2.281  -0.010  1.00  0.00           C  
HETATM   14  C   UNL     1       1.765   3.219  -1.026  1.00  0.00           C  
HETATM   15  C   UNL     1       1.459   2.727  -2.227  1.00  0.00           C  
HETATM   16  S   UNL     1       1.227   0.988  -2.111  1.00  0.00           S  
HETATM   17  N   UNL     1       0.472  -1.075   0.182  1.00  0.00           N  
HETATM   18  S   UNL     1      -2.175  -1.868  -0.203  1.00  0.00           S  
HETATM   19  C   UNL     1      -3.369  -0.616   0.135  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.355   0.386   0.555  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.693   0.540   0.537  1.00  0.00           C  
HETATM   22 CL   UNL     1      -7.215   0.476   0.280  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -4.759  -0.631   0.060  1.00  0.00           C  
HETATM   24  H   UNL     1      -5.395   2.533   1.035  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.956   2.589   1.175  1.00  0.00           H  
HETATM   26  H   UNL     1       2.872  -4.030  -0.660  1.00  0.00           H  
HETATM   27  H   UNL     1       1.494   0.145   1.564  1.00  0.00           H  
HETATM   28  H   UNL     1       2.063   2.543   1.010  1.00  0.00           H  
HETATM   29  H   UNL     1       1.951   4.269  -0.858  1.00  0.00           H  
HETATM   30  H   UNL     1       1.367   3.309  -3.133  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.272  -1.529  -0.252  1.00  0.00           H  
HETATM   32  O   UNL     1       4.437   0.762   0.976  1.00  0.00           O  
HETATM   33  C   UNL     1       5.819   1.159   1.174  1.00  0.00           C  
HETATM   34  C   UNL     1       5.869   2.612   1.649  1.00  0.00           C  
HETATM   35  O   UNL     1       5.155  -1.248   0.358  1.00  0.00           O  
HETATM   36  H   UNL     1       6.279   0.516   1.924  1.00  0.00           H  
HETATM   37  H   UNL     1       6.362   1.066   0.233  1.00  0.00           H  
HETATM   38  H   UNL     1       5.409   3.256   0.899  1.00  0.00           H  
HETATM   39  H   UNL     1       5.326   2.706   2.590  1.00  0.00           H  
HETATM   40  H   UNL     1       6.907   2.911   1.798  1.00  0.00           H  
CONECT    1   22    3    3   23                                       
CONECT    2   11    7    6    6                                       
CONECT    3    1    1    4   24                                       
CONECT    4    3   21   21   25                                       
CONECT    5   20   20   18   17                                       
CONECT    6    9    2    2    8                                       
CONECT    7    2   32   35   35                                       
CONECT    8    6   26                                                 
CONECT    9   17   10   10    6                                       
CONECT   10    9    9                                                 
CONECT   11   12   17    2   27                                       
CONECT   12   13   13   16   11                                       
CONECT   13   14   12   12   28                                       
CONECT   14   15   15   13   29                                       
CONECT   15   14   14   16   30                                       
CONECT   16   15   12                                                 
CONECT   17    5   11    9                                            
CONECT   18   19    5                                                 
CONECT   19   23   23   21   18                                       
CONECT   20   21    5    5                                            
CONECT   21    4    4   19   20                                       
CONECT   22    1                                                      
CONECT   23    1   19   19   31                                       
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   23                                                      
CONECT   32    7   33                                                 
CONECT   33   32   34   36   37                                       
CONECT   34   33   38   39   40                                       
CONECT   35    7    7                                                 
CONECT   36   33                                                      
CONECT   37   33                                                      
CONECT   38   34                                                      
CONECT   39   34                                                      
CONECT   40   34                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
