COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.498   1.183   0.022  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.060   0.163  -0.512  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.039   0.950   0.023  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.136   1.545   0.847  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.870   1.031   0.501  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.428   2.293   0.923  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.233   1.620   0.021  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.678   0.726  -0.877  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.317   0.503  -0.882  1.00  0.00           C  
HETATM   10  C   UNL     1       4.037   1.184  -0.427  1.00  0.00           C  
HETATM   11  C   UNL     1       3.990   2.440   0.405  1.00  0.00           C  
HETATM   12  C   UNL     1       0.019  -0.629  -1.204  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.065   2.080   0.929  1.00  0.00           C  
HETATM   14  C   UNL     1       3.032  -0.905  -1.214  1.00  0.00           C  
HETATM   15  C   UNL     1       1.816   0.598   0.419  1.00  0.00           C  
HETATM   16  C   UNL     1       1.561  -0.611   1.328  1.00  0.00           C  
HETATM   17  C   UNL     1       1.477  -1.873   0.479  1.00  0.00           C  
HETATM   18  C   UNL     1       2.768  -2.103  -0.295  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.027  -4.094   0.356  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.441  -2.914  -0.502  1.00  0.00           C  
HETATM   21  N   UNL     1       2.999   0.323  -0.408  1.00  0.00           N  
HETATM   22  N   UNL     1       0.323  -1.829  -0.420  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.371   0.116  -0.798  1.00  0.00           O  
HETATM   24  O   UNL     1       5.008   0.947  -1.114  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.416  -2.958  -1.222  1.00  0.00           O  
HETATM   26  S   UNL     1       1.133  -3.318   1.553  1.00  0.00           S  
HETATM   27  H   UNL     1      -2.348   2.272   1.617  1.00  0.00           H  
HETATM   28  H   UNL     1       0.073   1.285   0.961  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.868   2.990   1.621  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.299   1.791   0.020  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.312   0.203  -1.579  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.885  -0.195  -1.583  1.00  0.00           H  
HETATM   33  H   UNL     1       3.138   3.047   0.098  1.00  0.00           H  
HETATM   34  H   UNL     1       3.887   2.175   1.457  1.00  0.00           H  
HETATM   35 CL   UNL     1       5.512   3.376   0.167  1.00  0.00          Cl  
HETATM   36  H   UNL     1      -0.324  -0.921  -2.196  1.00  0.00           H  
HETATM   37  H   UNL     1       0.917  -0.018  -1.295  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.438   2.606   1.634  1.00  0.00           H  
HETATM   39  H   UNL     1       4.012  -1.010  -1.680  1.00  0.00           H  
HETATM   40  H   UNL     1       2.262  -0.858  -1.983  1.00  0.00           H  
HETATM   41  H   UNL     1       0.951   0.762  -0.223  1.00  0.00           H  
HETATM   42  H   UNL     1       1.994   1.483   1.030  1.00  0.00           H  
HETATM   43  H   UNL     1       2.377  -0.707   2.043  1.00  0.00           H  
HETATM   44  H   UNL     1       2.676  -3.008  -0.895  1.00  0.00           H  
HETATM   45  H   UNL     1       3.597  -2.214   0.405  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.888  -4.520   0.871  1.00  0.00           H  
HETATM   47  H   UNL     1       0.481  -4.850  -0.243  1.00  0.00           H  
HETATM   48  H   UNL     1       0.622  -0.470   1.864  1.00  0.00           H  
CONECT    1    3    9    9   13                                       
CONECT    2    5    5   12   23                                       
CONECT    3    1    4    4   23                                       
CONECT    4    3    3    5   27                                       
CONECT    5    2    2    4   28                                       
CONECT    6    7   13   13   29                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7    9   31                                       
CONECT    9    1    1    8   32                                       
CONECT   10   11   21   24   24                                       
CONECT   11   10   33   34   35                                       
CONECT   12    2   22   36   37                                       
CONECT   13    1    6    6   38                                       
CONECT   14   18   21   39   40                                       
CONECT   15   16   21   41   42                                       
CONECT   16   15   17   43   48                                       
CONECT   17   16   18   22   26                                       
CONECT   18   14   17   44   45                                       
CONECT   19   20   26   46   47                                       
CONECT   20   19   22   25   25                                       
CONECT   21   10   14   15                                            
CONECT   22   12   17   20                                            
CONECT   23    2    3                                                 
CONECT   24   10   10                                                 
CONECT   25   20   20                                                 
CONECT   26   17   19                                                 
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   16                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
