COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.868   1.229   1.526  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.222   1.337   0.308  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.825   0.183  -0.351  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.093  -1.041   0.242  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.682  -2.323  -0.435  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.906  -4.049  -0.564  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.743  -1.071   1.462  1.00  0.00           C  
HETATM    8  C   UNL     1       5.030   1.977   1.679  1.00  0.00           C  
HETATM    9  C   UNL     1       5.210   0.913   0.595  1.00  0.00           C  
HETATM   10  C   UNL     1       3.890   0.663  -0.089  1.00  0.00           C  
HETATM   11  C   UNL     1       3.025  -0.303   0.394  1.00  0.00           C  
HETATM   12  C   UNL     1       1.811  -0.500  -0.274  1.00  0.00           C  
HETATM   13  C   UNL     1       0.849  -1.518   0.198  1.00  0.00           C  
HETATM   14  CA  UNL     1      -1.271  -2.707   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1       1.523   0.282  -1.394  1.00  0.00           C  
HETATM   16  C   UNL     1       3.529   1.400  -1.202  1.00  0.00           C  
HETATM   17  F   UNL     1       6.145   1.358  -0.346  1.00  0.00           F  
HETATM   18  F   UNL     1       5.665  -0.275   1.178  1.00  0.00           F  
HETATM   19  N   UNL     1      -0.317  -1.697  -0.453  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.101   0.047   2.063  1.00  0.00           N  
HETATM   21  N   UNL     1       2.380   1.189  -1.815  1.00  0.00           N  
HETATM   22  OXT UNL     1      -1.646  -5.130  -0.270  1.00  0.00           O  
HETATM   23  O   UNL     1       0.052  -4.153  -1.294  1.00  0.00           O  
HETATM   24  O   UNL     1       1.109  -2.193   1.175  1.00  0.00           O  
HETATM   25 BR   UNL     1      -2.886   3.037  -0.449  1.00  0.00          Br  
HETATM   26  H   UNL     1      -4.180   2.122   2.047  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.319   0.237  -1.304  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.378  -3.116  -0.164  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.693  -2.183  -1.516  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.952  -2.020   1.932  1.00  0.00           H  
HETATM   31  H   UNL     1       4.675   2.902   1.224  1.00  0.00           H  
HETATM   32  H   UNL     1       4.301   1.630   2.411  1.00  0.00           H  
HETATM   33  H   UNL     1       5.984   2.158   2.173  1.00  0.00           H  
HETATM   34  H   UNL     1       3.280  -0.891   1.264  1.00  0.00           H  
HETATM   35  HA  UNL     1      -1.238  -2.760   1.103  1.00  0.00           H  
HETATM   36  H   UNL     1       0.590   0.142  -1.920  1.00  0.00           H  
HETATM   37  H   UNL     1       4.201   2.158  -1.578  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.525  -1.159  -1.233  1.00  0.00           H  
HETATM   39  HXT UNL     1      -1.373  -5.969  -0.666  1.00  0.00           H  
CONECT    1   20    2    2   26                                       
CONECT    2    1    1    3   25                                       
CONECT    3    4    4    2   27                                       
CONECT    4    7    5    3    3                                       
CONECT    5   14    4   28   29                                       
CONECT    6   14   23   23   22                                       
CONECT    7   20   20    4   30                                       
CONECT    8    9   31   32   33                                       
CONECT    9    8   18   17   10                                       
CONECT   10    9   16   16   11                                       
CONECT   11   10   12   12   34                                       
CONECT   12   11   11   15   13                                       
CONECT   13   12   24   24   19                                       
CONECT   14   19    5    6   35                                       
CONECT   15   21   21   12   36                                       
CONECT   16   10   10   21   37                                       
CONECT   17    9                                                      
CONECT   18    9                                                      
CONECT   19   13   14   38                                            
CONECT   20    7    7    1                                            
CONECT   21   16   15   15                                            
CONECT   22    6   39                                                 
CONECT   23    6    6                                                 
CONECT   24   13   13                                                 
CONECT   25    2                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
