COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.949   1.936   0.936  1.00  0.00           S  
HETATM    2  C   UNL     1       2.701   1.904   0.599  1.00  0.00           C  
HETATM    3  C   UNL     1       2.931   0.549   0.366  1.00  0.00           C  
HETATM    4  C   UNL     1       1.870  -0.317   0.455  1.00  0.00           C  
HETATM    5  C   UNL     1       0.620   0.190   0.765  1.00  0.00           C  
HETATM    6  C   UNL     1       3.620   2.979   0.568  1.00  0.00           C  
HETATM    7  O   UNL     1       3.196   4.236   0.817  1.00  0.00           O  
HETATM    8  O   UNL     1       4.792   2.770   0.318  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.661  -0.531   0.915  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.841   0.029   0.427  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.038  -0.656   0.566  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.061  -1.892   1.202  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.892  -2.445   1.691  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.695  -1.774   1.552  1.00  0.00           C  
HETATM   15 BR   UNL     1       2.112  -2.169   0.160  1.00  0.00          Br  
HETATM   16  O   UNL     1       4.175   0.096   0.065  1.00  0.00           O  
HETATM   17  C   UNL     1       4.296   0.138  -1.359  1.00  0.00           C  
HETATM   18  C   UNL     1       5.662  -0.354  -1.761  1.00  0.00           C  
HETATM   19  O   UNL     1       6.003  -0.403  -3.059  1.00  0.00           O  
HETATM   20  O   UNL     1       6.451  -0.705  -0.916  1.00  0.00           O  
HETATM   21  N   UNL     1      -4.222  -0.102   0.073  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.488  -0.823   0.227  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.603  -0.015  -0.385  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.932  -0.189  -1.716  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.956   0.552  -2.278  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.650   1.466  -1.508  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.321   1.639  -0.176  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.301   0.895   0.386  1.00  0.00           C  
HETATM   29  H   UNL     1       3.970   4.811   0.747  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.820   0.990  -0.067  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.995  -2.422   1.314  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.917  -3.406   2.184  1.00  0.00           H  
HETATM   33  H   UNL     1       0.216  -2.209   1.936  1.00  0.00           H  
HETATM   34  H   UNL     1       4.163   1.163  -1.704  1.00  0.00           H  
HETATM   35  H   UNL     1       3.534  -0.499  -1.807  1.00  0.00           H  
HETATM   36  H   UNL     1       6.879  -0.719  -3.317  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.206   0.761  -0.370  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.420  -1.788  -0.276  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.691  -0.979   1.286  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.390  -0.903  -2.318  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.212   0.417  -3.318  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.449   2.045  -1.946  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.864   2.354   0.425  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.044   1.030   1.427  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   16                                       
CONECT    4    3    5    5   15                                       
CONECT    5    1    4    4    9                                       
CONECT    6    2    7    8    8                                       
CONECT    7    6   29                                                 
CONECT    8    6    6                                                 
CONECT    9    5   10   14   14                                       
CONECT   10    9   11   11   30                                       
CONECT   11   10   10   12   21                                       
CONECT   12   11   13   13   31                                       
CONECT   13   12   12   14   32                                       
CONECT   14    9    9   13   33                                       
CONECT   15    4                                                      
CONECT   16    3   17                                                 
CONECT   17   16   18   34   35                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   36                                                 
CONECT   20   18   18                                                 
CONECT   21   11   22   37                                            
CONECT   22   21   23   38   39                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   40                                       
CONECT   25   24   26   26   41                                       
CONECT   26   25   25   27   42                                       
CONECT   27   26   28   28   43                                       
CONECT   28   23   27   27   44                                       
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
