COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.327  -0.015  -6.593  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.460  -0.183  -5.817  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.356  -0.229  -4.438  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.120  -0.108  -3.834  1.00  0.00           C  
HETATM    5  C   UNL     1       1.017   0.060  -4.610  1.00  0.00           C  
HETATM    6  C   UNL     1       0.910   0.112  -5.992  1.00  0.00           C  
HETATM    7  O   UNL     1       2.234   0.181  -4.017  1.00  0.00           O  
HETATM    8  C   UNL     1       2.014   0.233  -2.677  1.00  0.00           C  
HETATM    9  C   UNL     1       1.716   1.443  -2.068  1.00  0.00           C  
HETATM   10  C   UNL     1       1.494   1.493  -0.706  1.00  0.00           C  
HETATM   11  C   UNL     1       1.568   0.339   0.050  1.00  0.00           C  
HETATM   12  C   UNL     1       1.870  -0.867  -0.552  1.00  0.00           C  
HETATM   13  C   UNL     1       2.088  -0.924  -1.915  1.00  0.00           C  
HETATM   14  S   UNL     1       1.285   0.406   1.788  1.00  0.00           S  
HETATM   15  O   UNL     1       1.638   1.744   2.113  1.00  0.00           O  
HETATM   16  O   UNL     1       2.023  -0.707   2.271  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.502   0.134   1.926  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.911   0.165   3.400  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.423  -0.055   3.520  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.841   0.135   4.979  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.544   1.466   5.397  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.124   1.602   5.427  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.566   1.531   4.004  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.180  -0.918   4.150  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.286  -2.201   3.752  1.00  0.00           N  
HETATM   26  O   UNL     1       0.501  -0.635   5.112  1.00  0.00           O  
HETATM   27  O   UNL     1       0.482  -3.205   4.389  1.00  0.00           O  
HETATM   28 CL   UNL     1      -3.014  -0.336  -6.575  1.00  0.00          Cl  
HETATM   29  H   UNL     1      -0.410   0.020  -7.670  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.241  -0.361  -3.834  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.039  -0.144  -2.757  1.00  0.00           H  
HETATM   32  H   UNL     1       1.794   0.243  -6.599  1.00  0.00           H  
HETATM   33  H   UNL     1       1.658   2.345  -2.659  1.00  0.00           H  
HETATM   34  H   UNL     1       1.261   2.435  -0.231  1.00  0.00           H  
HETATM   35  H   UNL     1       1.928  -1.768   0.040  1.00  0.00           H  
HETATM   36  H   UNL     1       2.320  -1.867  -2.387  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.757  -0.835   1.499  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.032   0.919   1.386  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.948   0.665   2.893  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.670  -1.067   3.199  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.912  -0.044   5.076  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.298  -0.570   5.607  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.862   2.562   5.872  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.696   0.797   6.025  1.00  0.00           H  
HETATM   45  H   UNL     1       0.516   1.655   4.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.010   2.321   3.398  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.888  -2.437   3.029  1.00  0.00           H  
HETATM   48  H   UNL     1       0.260  -4.042   3.958  1.00  0.00           H  
CONECT    1    2    2    6   29                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   32                                       
CONECT    7    5    8                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   35                                       
CONECT   13    8   12   12   36                                       
CONECT   14   11   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   37   38                                       
CONECT   18   17   19   23   24                                       
CONECT   19   18   20   39   40                                       
CONECT   20   19   21   41   42                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   43   44                                       
CONECT   23   18   22   45   46                                       
CONECT   24   18   25   26   26                                       
CONECT   25   24   27   47                                            
CONECT   26   24   24                                                 
CONECT   27   25   48                                                 
CONECT   28    2                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
