COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.238  -1.727  -0.773  1.00  0.00           C  
HETATM    2  C   UNL     1       0.102   1.993  -0.571  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.992  -2.464  -1.688  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.044  -2.218   0.520  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.540  -3.672  -1.310  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.109   2.632  -1.334  1.00  0.00           C  
HETATM    7  C   UNL     1       2.248   0.752  -0.322  1.00  0.00           C  
HETATM    8  C   UNL     1       0.516   0.437   1.331  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.345  -4.153  -0.027  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.727   3.632  -0.353  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.142   2.994   1.015  1.00  0.00           C  
HETATM   12  C   UNL     1       3.053  -0.134   0.364  1.00  0.00           C  
HETATM   13  C   UNL     1       1.327  -0.455   2.001  1.00  0.00           C  
HETATM   14  C   UNL     1       2.594  -0.737   1.523  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.686  -0.530  -1.143  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.773   0.508  -0.344  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.206   1.716  -0.740  1.00  0.00           N  
HETATM   18  S   UNL     1      -2.576   0.341   1.143  1.00  0.00           S  
HETATM   19  C   UNL     1       0.970   1.044   0.158  1.00  0.00           C  
HETATM   20  O   UNL     1       0.568   3.022  -1.018  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.598  -3.428   0.884  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.834   1.669   0.949  1.00  0.00           C  
HETATM   23 BR   UNL     1       4.788  -0.527  -0.280  1.00  0.00          Br  
HETATM   24  H   UNL     1      -3.146  -2.090  -2.689  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.462  -1.653   1.232  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.123  -4.244  -2.016  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.914   2.068  -1.806  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.578   3.188  -2.107  1.00  0.00           H  
HETATM   29  H   UNL     1       2.607   1.222  -1.226  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.473   0.655   1.705  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.777  -5.100   0.264  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.004   4.425  -0.162  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.610   4.074  -0.815  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.243   2.876   1.619  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.802   3.694   1.528  1.00  0.00           H  
HETATM   36  H   UNL     1       0.972  -0.934   2.901  1.00  0.00           H  
HETATM   37  H   UNL     1       3.228  -1.431   2.056  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.450  -3.809   1.884  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.567   1.599   1.753  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.333   1.564  -0.014  1.00  0.00           H  
CONECT    1   15    3    3    4                                       
CONECT    2   17   19   20   20                                       
CONECT    3    1    1    5   24                                       
CONECT    4    1   21   21   25                                       
CONECT    5    3    9    9   26                                       
CONECT    6   17   10   27   28                                       
CONECT    7   19   19   12   29                                       
CONECT    8   19   13   13   30                                       
CONECT    9    5    5   21   31                                       
CONECT   10    6   11   32   33                                       
CONECT   11   22   10   34   35                                       
CONECT   12    7   14   14   23                                       
CONECT   13    8    8   14   36                                       
CONECT   14   12   12   13   37                                       
CONECT   15    1   16   16                                            
CONECT   16   15   15   17   18                                       
CONECT   17   16    2    6                                            
CONECT   18   16   22                                                 
CONECT   19    2    7    7    8                                       
CONECT   20    2    2                                                 
CONECT   21    4    4    9   38                                       
CONECT   22   18   11   39   40                                       
CONECT   23   12                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
