COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.076   0.792   3.157  1.00  0.00           C  
HETATM    2  C   UNL     1       1.376   1.459   3.038  1.00  0.00           C  
HETATM    3  C   UNL     1       1.912   2.274   4.188  1.00  0.00           C  
HETATM    4  O   UNL     1       2.020   1.356   2.015  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.617   0.809   4.373  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.180   4.476  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.385  -0.471   3.381  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.722  -1.154   3.510  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.716  -0.498   2.176  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.485   0.134   2.047  1.00  0.00           C  
HETATM   11  N   UNL     1       0.189   0.108   0.836  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.463  -0.442  -0.353  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.375  -1.946  -0.323  1.00  0.00           C  
HETATM   14  N   UNL     1       0.391  -2.558   0.600  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.994  -2.606  -1.130  1.00  0.00           O  
HETATM   16  C   UNL     1       0.225   0.076  -1.589  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.519   0.616  -2.621  1.00  0.00           C  
HETATM   18 BR   UNL     1      -2.403   0.705  -2.482  1.00  0.00          Br  
HETATM   19  C   UNL     1       0.112   1.093  -3.755  1.00  0.00           C  
HETATM   20  C   UNL     1       1.489   1.028  -3.858  1.00  0.00           C  
HETATM   21  C   UNL     1       2.235   0.488  -2.827  1.00  0.00           C  
HETATM   22  C   UNL     1       1.603   0.016  -1.690  1.00  0.00           C  
HETATM   23 BR   UNL     1       2.623  -0.721  -0.279  1.00  0.00          Br  
HETATM   24  H   UNL     1       2.883   2.690   3.916  1.00  0.00           H  
HETATM   25  H   UNL     1       1.220   3.084   4.413  1.00  0.00           H  
HETATM   26  H   UNL     1       2.023   1.636   5.064  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.195   1.314   5.229  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.370   0.194   5.415  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.515  -0.451   3.260  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.762  -2.005   2.830  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.855  -1.503   4.535  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.151  -1.008   1.329  1.00  0.00           H  
HETATM   33  H   UNL     1       1.092   0.455   0.777  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.510  -0.139  -0.367  1.00  0.00           H  
HETATM   35  H   UNL     1       0.602  -3.500   0.509  1.00  0.00           H  
HETATM   36  H   UNL     1       0.732  -2.056   1.357  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.469   1.515  -4.561  1.00  0.00           H  
HETATM   38  H   UNL     1       1.983   1.400  -4.744  1.00  0.00           H  
HETATM   39  H   UNL     1       3.311   0.437  -2.907  1.00  0.00           H  
CONECT    1    2    5    5   10                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   24   25   26                                       
CONECT    4    2    2                                                 
CONECT    5    1    1    6   27                                       
CONECT    6    5    7    7   28                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   29   30   31                                       
CONECT    9    7   10   10   32                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   33                                            
CONECT   12   11   13   16   34                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   35   36                                            
CONECT   15   13   13                                                 
CONECT   16   12   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17                                                      
CONECT   19   17   20   20   37                                       
CONECT   20   19   19   21   38                                       
CONECT   21   20   22   22   39                                       
CONECT   22   16   21   21   23                                       
CONECT   23   22                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
