COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.240 -12.927   5.244  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.871  -8.940   3.809  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.582  -9.616   4.734  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.885 -11.977   5.558  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.866 -10.831   4.888  1.00  0.00           C  
HETATM    6  C   UNL     1       0.254 -10.707   3.966  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.264  -7.599   3.339  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.571  -5.795   1.779  1.00  0.00           C  
HETATM    9  C   UNL     1       0.055  -3.389   0.436  1.00  0.00           C  
HETATM   10  C   UNL     1       0.159  -4.723   2.565  1.00  0.00           C  
HETATM   11  C   UNL     1       0.056  -3.412   1.841  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.089  -5.869   0.334  1.00  0.00           C  
HETATM   13  O   UNL     1       0.013  -6.952  -0.246  1.00  0.00           O  
HETATM   14  C   UNL     1       0.351  -4.588  -1.730  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.047  -4.560  -2.062  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.927  -4.259  -2.465  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.692  -3.626  -3.667  1.00  0.00           N  
HETATM   18  N   UNL     1       0.097  -4.625  -0.292  1.00  0.00           N  
HETATM   19  C   UNL     1       0.040  -2.144  -0.213  1.00  0.00           C  
HETATM   20  C   UNL     1       0.017  -0.954   0.519  1.00  0.00           C  
HETATM   21  C   UNL     1       0.020  -0.988   1.909  1.00  0.00           C  
HETATM   22  C   UNL     1       0.047  -2.213   2.569  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.397  -7.087   2.390  1.00  0.00           N  
HETATM   24  O   UNL     1      -2.267  -7.051   3.783  1.00  0.00           O  
HETATM   25  N   UNL     1       0.265  -9.582   3.314  1.00  0.00           N  
HETATM   26  S   UNL     1       1.278 -12.082   3.971  1.00  0.00           S  
HETATM   27 CL   UNL     1       1.194 -13.259   6.702  1.00  0.00          Cl  
HETATM   28  H   UNL     1      -0.141 -13.871   4.844  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.480  -9.316   5.243  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.658 -12.225   6.275  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.650  -5.597   1.757  1.00  0.00           H  
HETATM   32  H   UNL     1       1.221  -4.974   2.684  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.274  -4.647   3.570  1.00  0.00           H  
HETATM   34  H   UNL     1       1.117  -3.831  -1.919  1.00  0.00           H  
HETATM   35  H   UNL     1       0.712  -5.571  -2.045  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.459  -3.358  -4.274  1.00  0.00           H  
HETATM   37  H   UNL     1       0.244  -3.404  -3.990  1.00  0.00           H  
HETATM   38  H   UNL     1       0.040  -2.075  -1.298  1.00  0.00           H  
HETATM   39  H   UNL     1       0.001   0.000   0.000  1.00  0.00           H  
HETATM   40  H   UNL     1       0.010  -0.063   2.477  1.00  0.00           H  
HETATM   41  H   UNL     1       0.067  -2.230   3.656  1.00  0.00           H  
HETATM   42  H   UNL     1       0.403  -7.652   2.109  1.00  0.00           H  
CONECT    1   27    4   26   28                                       
CONECT    2    3    3   25    7                                       
CONECT    3    2    2    5   29                                       
CONECT    4    1    5    5   30                                       
CONECT    5    3    4    4    6                                       
CONECT    6    5   26   25   25                                       
CONECT    7    2   23   24   24                                       
CONECT    8   23   12   10   31                                       
CONECT    9   18   11   11   19                                       
CONECT   10    8   11   32   33                                       
CONECT   11    9    9   10   22                                       
CONECT   12    8   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   16   18   34   35                                       
CONECT   15   16   16                                                 
CONECT   16   14   15   15   17                                       
CONECT   17   16   36   37                                            
CONECT   18    9   12   14                                            
CONECT   19    9   20   20   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   22   40                                       
CONECT   22   11   21   21   41                                       
CONECT   23    7    8   42                                            
CONECT   24    7    7                                                 
CONECT   25    2    6    6                                            
CONECT   26    1    6                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
