COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.618  -6.309   0.484  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.896   2.345  -0.527  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.377   1.085  -0.762  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.051  -0.057  -0.288  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.185   0.944  -1.471  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.495  -1.397  -0.540  1.00  0.00           C  
HETATM    7  C   UNL     1       1.023   0.794  -0.783  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.187  -2.493  -0.171  1.00  0.00           N  
HETATM    9  C   UNL     1       1.025   0.649   0.598  1.00  0.00           C  
HETATM   10  C   UNL     1       2.219   0.500   1.275  1.00  0.00           C  
HETATM   11  C   UNL     1       3.415   0.496   0.578  1.00  0.00           C  
HETATM   12  C   UNL     1       3.418   0.640  -0.798  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.901   1.805   1.295  1.00  0.00           N  
HETATM   14  C   UNL     1       2.225   0.783  -1.482  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.895   3.160   1.194  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.491  -4.852   0.028  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.833   3.559   0.555  1.00  0.00           N  
HETATM   18 BR   UNL     1       5.049   0.292   1.509  1.00  0.00          Br  
HETATM   19 CL   UNL     1       2.229   0.956  -3.209  1.00  0.00          Cl  
HETATM   20  F   UNL     1      -1.247   3.439  -0.983  1.00  0.00           F  
HETATM   21  C   UNL     1      -3.095   2.484   0.178  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.928   0.987   1.944  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.770   1.340   0.646  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.245   0.081   0.421  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.412  -1.515  -1.080  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.653  -3.782  -0.413  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.818  -6.190  -0.283  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.138  -7.135   0.338  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.193   0.951  -2.441  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.051  -2.400   0.260  1.00  0.00           H  
HETATM   31  H   UNL     1       0.092   0.652   1.143  1.00  0.00           H  
HETATM   32  H   UNL     1       2.221   0.388   2.349  1.00  0.00           H  
HETATM   33  H   UNL     1       4.353   0.637  -1.339  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.652   3.814   1.603  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.652  -4.767   1.103  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.450  -4.799  -0.488  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.694   0.720   1.215  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.473   0.079   2.341  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.382   1.552   2.758  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.758  -0.793   0.793  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.577  -6.237  -1.344  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.495  -7.005  -0.027  1.00  0.00           H  
CONECT    1   27   28                                                 
CONECT    2   21   21    3   20                                       
CONECT    3    4    4    2    5                                       
CONECT    4   24    6    3    3                                       
CONECT    5    3    7   29                                            
CONECT    6    8    4   25   25                                       
CONECT    7    9    5   14   14                                       
CONECT    8   26    6   30                                            
CONECT    9   10   10    7   31                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   18   12   12                                       
CONECT   12   11   11   14   33                                       
CONECT   13   22   15   23                                            
CONECT   14    7    7   12   19                                       
CONECT   15   13   17   17   34                                       
CONECT   16   26   27   35   36                                       
CONECT   17   15   15   21                                            
CONECT   18   11                                                      
CONECT   19   14                                                      
CONECT   20    2                                                      
CONECT   21   23   17    2    2                                       
CONECT   22   13   37   38   39                                       
CONECT   23   13   24   24   21                                       
CONECT   24   23   23    4   40                                       
CONECT   25    6    6                                                 
CONECT   26   16    8                                                 
CONECT   27   16    1   41   42                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
