COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1 BR   UNL     1       4.550  -2.327   0.169  1.00  0.00          Br  
HETATM    2  C   UNL     1       4.017  -0.547  -0.185  1.00  0.00           C  
HETATM    3  C   UNL     1       2.764  -0.114   0.200  1.00  0.00           C  
HETATM    4  C   UNL     1       2.375   1.202  -0.057  1.00  0.00           C  
HETATM    5  C   UNL     1       3.253   2.068  -0.712  1.00  0.00           C  
HETATM    6  C   UNL     1       4.500   1.621  -1.096  1.00  0.00           C  
HETATM    7  C   UNL     1       4.882   0.317  -0.834  1.00  0.00           C  
HETATM    8  C   UNL     1       1.040   1.675   0.358  1.00  0.00           C  
HETATM    9  C   UNL     1       0.109   0.727   1.055  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.395   1.015   0.810  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.508   2.147  -0.086  1.00  0.00           N1+
HETATM   12  N   UNL     1      -2.727   2.760  -0.109  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.482   4.092  -0.389  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.672   3.224   0.531  1.00  0.00           C  
HETATM   15  N   UNL     1       0.689   2.912   0.105  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.042  -0.155   0.203  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.318  -0.344   0.906  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.048  -1.554   0.320  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.318  -1.829   1.133  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.100  -2.966   0.473  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.497  -2.575  -0.884  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.269  -2.430  -1.673  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.440  -1.263  -1.131  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.275   4.429  -0.023  1.00  0.00           N  
HETATM   25  H   UNL     1       2.090  -0.789   0.706  1.00  0.00           H  
HETATM   26  H   UNL     1       2.957   3.086  -0.916  1.00  0.00           H  
HETATM   27  H   UNL     1       5.180   2.290  -1.603  1.00  0.00           H  
HETATM   28  H   UNL     1       5.860  -0.027  -1.137  1.00  0.00           H  
HETATM   29  H   UNL     1       0.301   0.769   2.127  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.588   2.343   0.050  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.193   4.763  -0.848  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.269   0.100  -0.747  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.127  -0.513   1.966  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.935   0.546   0.786  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.934  -0.931   1.160  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.991  -3.183   1.063  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.527  -2.239  -2.714  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.540  -1.145  -1.735  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   25                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    2    2    6   28                                       
CONECT    8    4    9   15   15                                       
CONECT    9    8   10   10   29                                       
CONECT   10    9    9   11   16                                       
CONECT   11   10   12   14   14                                       
CONECT   12   11   13   30                                            
CONECT   13   12   24   24   31                                       
CONECT   14   11   11   15   24                                       
CONECT   15    8    8   14                                            
CONECT   16   10   17   32                                            
CONECT   17   16   18   33   34                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   35                                       
CONECT   20   19   21   21   36                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   23   37                                       
CONECT   23   18   22   22   38                                       
CONECT   24   13   13   14                                            
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
