COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.963   0.538  -0.018  1.00  0.00           C  
HETATM    2  O   UNL     1       2.591  -0.768  -0.015  1.00  0.00           O  
HETATM    3  C   UNL     1       3.243   1.176  -1.221  1.00  0.00           C  
HETATM    4  C   UNL     1       3.126   0.420  -2.519  1.00  0.00           C  
HETATM    5  C   UNL     1       3.620   2.501  -1.228  1.00  0.00           C  
HETATM    6  C   UNL     1       3.727   3.202  -0.024  1.00  0.00           C  
HETATM    7  C   UNL     1       3.451   2.555   1.183  1.00  0.00           C  
HETATM    8  C   UNL     1       3.074   1.230   1.182  1.00  0.00           C  
HETATM    9  C   UNL     1       2.775   0.531   2.483  1.00  0.00           C  
HETATM   10  C   UNL     1       1.236  -0.789  -0.031  1.00  0.00           C  
HETATM   11  N   UNL     1       0.547   0.337  -0.170  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.777   0.320  -0.186  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.466   1.514  -0.334  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.460  -0.808  -0.064  1.00  0.00           N  
HETATM   15  CA  UNL     1      -0.836  -1.968   0.079  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.625  -3.245   0.216  1.00  0.00           C  
HETATM   17  C   UNL     1       0.546  -1.995   0.095  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.853   1.540  -0.197  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.464   2.589   0.483  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.833   2.618   0.621  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.610   1.591   0.076  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.993   0.538  -0.606  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.624   0.519  -0.745  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.035   1.617   0.218  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.165   1.638   0.330  1.00  0.00           N  
HETATM   26  C   UNL     1       4.119   4.579  -0.027  1.00  0.00           C  
HETATM   27  N   UNL     1       4.431   5.671  -0.030  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.856  -3.804  -1.079  1.00  0.00           O  
HETATM   29 BR   UNL     1       1.480  -3.627   0.296  1.00  0.00          Br  
HETATM   30  H   UNL     1       4.084  -0.043  -2.757  1.00  0.00           H  
HETATM   31  H   UNL     1       2.364  -0.353  -2.422  1.00  0.00           H  
HETATM   32  H   UNL     1       2.847   1.108  -3.317  1.00  0.00           H  
HETATM   33  H   UNL     1       3.833   2.997  -2.164  1.00  0.00           H  
HETATM   34  H   UNL     1       3.532   3.092   2.116  1.00  0.00           H  
HETATM   35  H   UNL     1       1.717   0.643   2.721  1.00  0.00           H  
HETATM   36  H   UNL     1       3.017  -0.528   2.391  1.00  0.00           H  
HETATM   37  H   UNL     1       3.375   0.973   3.279  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.983   2.331  -0.533  1.00  0.00           H  
HETATM   39  H1  UNL     1      -1.063  -3.955   0.823  1.00  0.00           H  
HETATM   40  H2  UNL     1      -2.580  -3.033   0.696  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.863   3.382   0.904  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.307   3.432   1.149  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.591  -0.257  -1.028  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.146  -0.294  -1.272  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.361  -4.617  -0.946  1.00  0.00           H  
CONECT    1    2    3    8    8                                       
CONECT    2    1   10                                                 
CONECT    3    1    4    5    5                                       
CONECT    4    3   30   31   32                                       
CONECT    5    3    3    6   33                                       
CONECT    6    5    7    7   26                                       
CONECT    7    6    6    8   34                                       
CONECT    8    1    1    7    9                                       
CONECT    9    8   35   36   37                                       
CONECT   10    2   11   17   17                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   14                                       
CONECT   13   12   18   38                                            
CONECT   14   12   15   15                                            
CONECT   15   14   14   16   17                                       
CONECT   16   15   28   39   40                                       
CONECT   17   10   10   15   29                                       
CONECT   18   13   19   23   23                                       
CONECT   19   18   20   20   41                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20   22   22   24                                       
CONECT   22   21   21   23   43                                       
CONECT   23   18   18   22   44                                       
CONECT   24   21   25   25   25                                       
CONECT   25   24   24   24                                            
CONECT   26    6   27   27   27                                       
CONECT   27   26   26   26                                            
CONECT   28   16   45                                                 
CONECT   29   17                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
