COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.202  -1.212   0.765  1.00  0.00           C  
HETATM    2  C   UNL     1       0.146  -1.919  -0.428  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.826  -0.984  -1.135  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.048  -0.329  -1.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.532  -0.800   1.267  1.00  0.00           C  
HETATM    6  C   UNL     1       3.291   2.910  -1.313  1.00  0.00           C  
HETATM    7  C   UNL     1       4.323   3.249  -0.455  1.00  0.00           C  
HETATM    8  C   UNL     1       4.901   2.290   0.360  1.00  0.00           C  
HETATM    9  C   UNL     1       4.445   0.990   0.317  1.00  0.00           C  
HETATM   10  C   UNL     1       3.390   0.647  -0.526  1.00  0.00           C  
HETATM   11  C   UNL     1       2.818   1.615  -1.356  1.00  0.00           C  
HETATM   12  C   UNL     1       5.113  -0.078   1.164  1.00  0.00           C  
HETATM   13  C   UNL     1       4.148  -0.531   2.254  1.00  0.00           C  
HETATM   14  C   UNL     1       3.242  -1.652   1.764  1.00  0.00           C  
HETATM   15  C   UNL     1       2.870  -0.732  -0.509  1.00  0.00           C  
HETATM   16  O   UNL     1       2.973  -1.455  -1.476  1.00  0.00           O  
HETATM   17  C   UNL     1       1.283  -2.391   0.441  1.00  0.00           C  
HETATM   18  C   UNL     1       0.046  -2.059  -1.759  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.125  -1.506  -2.200  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.064  -1.225   0.022  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.496   0.075   0.217  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.731  -0.151   1.355  1.00  0.00           C  
HETATM   23 BR   UNL     1      -5.158   0.964   0.368  1.00  0.00          Br  
HETATM   24  H   UNL     1       1.612  -0.401   1.191  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.644  -0.137  -1.903  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.949  -0.984   2.157  1.00  0.00           H  
HETATM   27  H   UNL     1       2.853   3.664  -1.952  1.00  0.00           H  
HETATM   28  H   UNL     1       4.681   4.267  -0.422  1.00  0.00           H  
HETATM   29  H   UNL     1       5.706   2.560   1.028  1.00  0.00           H  
HETATM   30  H   UNL     1       2.011   1.351  -2.024  1.00  0.00           H  
HETATM   31  H   UNL     1       5.377  -0.928   0.535  1.00  0.00           H  
HETATM   32  H   UNL     1       6.014   0.331   1.622  1.00  0.00           H  
HETATM   33  H   UNL     1       4.719  -0.885   3.112  1.00  0.00           H  
HETATM   34  H   UNL     1       3.532   0.315   2.560  1.00  0.00           H  
HETATM   35  H   UNL     1       2.734  -2.088   2.624  1.00  0.00           H  
HETATM   36  H   UNL     1       3.861  -2.422   1.304  1.00  0.00           H  
HETATM   37  H   UNL     1       1.849  -3.159  -0.087  1.00  0.00           H  
HETATM   38  H   UNL     1       0.885  -2.806   1.367  1.00  0.00           H  
HETATM   39  H   UNL     1       0.782  -2.536  -2.389  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.417  -1.482  -3.124  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.097   0.171   2.319  1.00  0.00           H  
CONECT    1   17   14   15   24                                       
CONECT    2   18   18   20   17                                       
CONECT    3    4   19   20   20                                       
CONECT    4   21   21    3   25                                       
CONECT    5   22   22   20   26                                       
CONECT    6   11   11    7   27                                       
CONECT    7    8    8    6   28                                       
CONECT    8    9    7    7   29                                       
CONECT    9   12   10   10    8                                       
CONECT   10   15    9    9   11                                       
CONECT   11   10    6    6   30                                       
CONECT   12   13    9   31   32                                       
CONECT   13   14   12   33   34                                       
CONECT   14    1   13   35   36                                       
CONECT   15    1   16   16   10                                       
CONECT   16   15   15                                                 
CONECT   17    2    1   37   38                                       
CONECT   18   19    2    2   39                                       
CONECT   19    3   18   40                                            
CONECT   20    3    3    2    5                                       
CONECT   21   23    4    4   22                                       
CONECT   22   21    5    5   41                                       
CONECT   23   21                                                      
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
