COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.617   2.285  -0.316  1.00  0.00           C  
HETATM    2  C   UNL     1       3.201   0.694  -0.127  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.365   0.800  -0.920  1.00  0.00           C  
HETATM    4  C   UNL     1       1.606   2.620   0.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.310  -1.394  -0.321  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.923  -0.746  -1.314  1.00  0.00           C  
HETATM    7  C   UNL     1       3.420   1.714  -0.980  1.00  0.00           C  
HETATM    8  C   UNL     1       2.539   2.769  -0.856  1.00  0.00           C  
HETATM    9  C   UNL     1       4.004  -0.545  -0.053  1.00  0.00           C  
HETATM   10  C   UNL     1       3.682  -1.532   0.880  1.00  0.00           C  
HETATM   11  C   UNL     1       5.081  -0.733  -0.920  1.00  0.00           C  
HETATM   12  C   UNL     1       5.508  -2.868   0.085  1.00  0.00           C  
HETATM   13  C   UNL     1       5.828  -1.890  -0.848  1.00  0.00           C  
HETATM   14  C   UNL     1       4.434  -2.687   0.945  1.00  0.00           C  
HETATM   15  C   UNL     1       7.337  -4.128  -0.762  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.398   0.429  -1.610  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.956   3.447  -0.482  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.683   2.000  -1.091  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.044   3.541   1.810  1.00  0.00           O  
HETATM   20  O   UNL     1       0.841   5.059   0.032  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.249   1.491   0.528  1.00  0.00           O  
HETATM   22  O   UNL     1       6.246  -4.007   0.152  1.00  0.00           O  
HETATM   23  S   UNL     1       0.353   3.798   0.470  1.00  0.00           S  
HETATM   24  S   UNL     1      -2.967  -0.397   0.233  1.00  0.00           S  
HETATM   25  S   UNL     1       1.816   1.069   0.891  1.00  0.00           S  
HETATM   26 BR   UNL     1      -4.793  -3.088   0.365  1.00  0.00          Br  
HETATM   27  H   UNL     1      -5.784  -1.147  -1.829  1.00  0.00           H  
HETATM   28  H   UNL     1       4.223   1.707  -1.703  1.00  0.00           H  
HETATM   29  H   UNL     1       2.600   3.651  -1.477  1.00  0.00           H  
HETATM   30  H   UNL     1       2.847  -1.392   1.549  1.00  0.00           H  
HETATM   31  H   UNL     1       5.330   0.026  -1.646  1.00  0.00           H  
HETATM   32  H   UNL     1       6.662  -2.037  -1.518  1.00  0.00           H  
HETATM   33  H   UNL     1       4.188  -3.449   1.670  1.00  0.00           H  
HETATM   34  H   UNL     1       7.841  -5.082  -0.602  1.00  0.00           H  
HETATM   35  H   UNL     1       6.961  -4.083  -1.784  1.00  0.00           H  
HETATM   36  H   UNL     1       8.042  -3.313  -0.597  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.247   4.079  -1.158  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.974   2.631  -1.767  1.00  0.00           H  
CONECT    1   21   21   18   17                                       
CONECT    2    9    7    7   25                                       
CONECT    3   24   16   16   18                                       
CONECT    4    8    8   25   23                                       
CONECT    5   26   24    6    6                                       
CONECT    6    5    5   16   27                                       
CONECT    7    2    2    8   28                                       
CONECT    8    7    4    4   29                                       
CONECT    9   11    2   10   10                                       
CONECT   10    9    9   14   30                                       
CONECT   11   13   13    9   31                                       
CONECT   12   13   22   14   14                                       
CONECT   13   11   11   12   32                                       
CONECT   14   12   12   10   33                                       
CONECT   15   22   34   35   36                                       
CONECT   16    6    3    3                                            
CONECT   17    1   23   37                                            
CONECT   18    3    1   38                                            
CONECT   19   23   23                                                 
CONECT   20   23   23                                                 
CONECT   21    1    1                                                 
CONECT   22   12   15                                                 
CONECT   23    4   20   20   17                                       
CONECT   23   19   19                                                 
CONECT   24    5    3                                                 
CONECT   25    2    4                                                 
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
