COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       2.673   0.063  -2.026  1.00  0.00          Br  
HETATM    2  C   UNL     1      -1.697   0.036   0.823  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.990   0.018   1.321  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.090  -0.030   0.473  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.970  -0.063  -0.878  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.564  -0.082  -2.807  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.173  -0.101  -4.746  1.00  0.00           C  
HETATM    8  C   UNL     1       0.081  -0.084  -5.264  1.00  0.00           C  
HETATM    9  C   UNL     1       1.212  -0.036  -4.447  1.00  0.00           C  
HETATM   10  C   UNL     1       1.113  -0.002  -3.092  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.506   0.008  -0.629  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.695  -0.049  -1.485  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.350  -0.067  -3.346  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.161  -0.016  -2.486  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.293   0.016  -1.163  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.540   0.088   1.734  1.00  0.00           C  
HETATM   17  O   UNL     1       0.589   0.104   1.283  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.733   0.119   3.068  1.00  0.00           N  
HETATM   19  C   UNL     1       0.417   0.171   3.974  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.074   0.198   5.422  1.00  0.00           C  
HETATM   21  N   UNL     1       1.079   0.250   6.330  1.00  0.00           N  
HETATM   22  C   UNL     1       0.539   0.273   7.696  1.00  0.00           C  
HETATM   23  C   UNL     1       1.792  -1.024   6.180  1.00  0.00           C  
HETATM   24  H   UNL     1      -3.146   0.041   2.390  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.080  -0.043   0.906  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.856  -0.101  -1.494  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.030  -0.139  -5.401  1.00  0.00           H  
HETATM   28  H   UNL     1       0.208  -0.110  -6.336  1.00  0.00           H  
HETATM   29  H   UNL     1       2.190  -0.025  -4.904  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.633   0.107   3.428  1.00  0.00           H  
HETATM   31  H   UNL     1       0.999   1.070   3.771  1.00  0.00           H  
HETATM   32  H   UNL     1       1.042  -0.708   3.818  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.656  -0.701   5.625  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.699   1.077   5.577  1.00  0.00           H  
HETATM   35  H   UNL     1       1.362   0.312   8.411  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.092   1.151   7.822  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.049  -0.626   7.870  1.00  0.00           H  
HETATM   38  H   UNL     1       2.213  -1.089   5.176  1.00  0.00           H  
HETATM   39  H   UNL     1       2.596  -1.080   6.914  1.00  0.00           H  
HETATM   40  H   UNL     1       1.098  -1.850   6.337  1.00  0.00           H  
CONECT    1   10                                                      
CONECT    2    3    3   11   16                                       
CONECT    3    2    2    4   24                                       
CONECT    4    3    5    5   25                                       
CONECT    5    4    4   12   26                                       
CONECT    6   12   12   13                                            
CONECT    7    8    8   13   27                                       
CONECT    8    7    7    9   28                                       
CONECT    9    8   10   10   29                                       
CONECT   10    1    9    9   14                                       
CONECT   11    2   12   15   15                                       
CONECT   12    5    6    6   11                                       
CONECT   13    6    7   14   14                                       
CONECT   14   10   13   13   15                                       
CONECT   15   11   11   14                                            
CONECT   16    2   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   30                                            
CONECT   19   18   20   31   32                                       
CONECT   20   19   21   33   34                                       
CONECT   21   20   22   23                                            
CONECT   22   21   35   36   37                                       
CONECT   23   21   38   39   40                                       
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   18                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
