COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.102   0.355   1.887  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.104   0.883   2.763  1.00  0.00           C  
HETATM    3  C   UNL     1       2.139   2.861  -0.461  1.00  0.00           C  
HETATM    4  C   UNL     1       1.297   3.616  -1.256  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.031   3.256  -1.400  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.521   2.138  -0.751  1.00  0.00           C  
HETATM    7  C   UNL     1       0.318   1.377   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1       1.654   1.740   0.193  1.00  0.00           C  
HETATM    9 CL   UNL     1       1.907   5.021  -2.074  1.00  0.00          Cl  
HETATM   10  O   UNL     1      -0.163   0.277   0.688  1.00  0.00           O  
HETATM   11  O   UNL     1       2.481   0.995   0.975  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.470  -0.045   0.507  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.840  -0.889  -0.531  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.170  -1.221  -0.721  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.139  -0.715   0.122  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.777   0.136   1.171  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.432   0.465   1.363  1.00  0.00           C  
HETATM   18 BR   UNL     1      -3.662  -2.372  -2.138  1.00  0.00          Br  
HETATM   19  C   UNL     1      -4.807   0.679   2.072  1.00  0.00           C  
HETATM   20  C   UNL     1       3.839   1.427   1.078  1.00  0.00           C  
HETATM   21  C   UNL     1       4.610   0.473   1.993  1.00  0.00           C  
HETATM   22  N   UNL     1       4.671  -0.854   1.374  1.00  0.00           N  
HETATM   23  C   UNL     1       5.696  -1.163   0.560  1.00  0.00           C  
HETATM   24  N   UNL     1       5.777  -2.374  -0.022  1.00  0.00           N  
HETATM   25  C   UNL     1       4.825  -3.302   0.206  1.00  0.00           C  
HETATM   26  C   UNL     1       3.741  -2.990   1.061  1.00  0.00           C  
HETATM   27  C   UNL     1       3.687  -1.769   1.635  1.00  0.00           C  
HETATM   28  O   UNL     1       6.561  -0.336   0.345  1.00  0.00           O  
HETATM   29  O   UNL     1       4.897  -4.398  -0.320  1.00  0.00           O  
HETATM   30  N   UNL     1      -7.899   1.302   3.459  1.00  0.00           N  
HETATM   31  H   UNL     1      -6.384  -0.305   1.080  1.00  0.00           H  
HETATM   32  H   UNL     1       3.177   3.142  -0.353  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.686   3.848  -2.022  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.558   1.859  -0.864  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.087  -1.288  -1.194  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.176  -0.976  -0.029  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.145   1.118   2.174  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.524   1.336   2.881  1.00  0.00           H  
HETATM   39  H   UNL     1       4.296   1.429   0.088  1.00  0.00           H  
HETATM   40  H   UNL     1       3.870   2.434   1.495  1.00  0.00           H  
HETATM   41  H   UNL     1       5.621   0.851   2.142  1.00  0.00           H  
HETATM   42  H   UNL     1       4.102   0.403   2.955  1.00  0.00           H  
HETATM   43  H   UNL     1       6.522  -2.580  -0.607  1.00  0.00           H  
HETATM   44  H   UNL     1       2.969  -3.720   1.255  1.00  0.00           H  
HETATM   45  H   UNL     1       2.870  -1.514   2.294  1.00  0.00           H  
CONECT    1    2   19   19   31                                       
CONECT    2    1   30   30   30                                       
CONECT    3    4    4    8   32                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6    8    8   10                                       
CONECT    8    3    7    7   11                                       
CONECT    9    4                                                      
CONECT   10    7   12                                                 
CONECT   11    8   20                                                 
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   14   35                                       
CONECT   14   13   15   15   18                                       
CONECT   15   14   14   16   36                                       
CONECT   16   15   17   17   19                                       
CONECT   17   12   16   16   37                                       
CONECT   18   14                                                      
CONECT   19    1    1   16   38                                       
CONECT   20   11   21   39   40                                       
CONECT   21   20   22   41   42                                       
CONECT   22   21   23   27                                            
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   43                                            
CONECT   25   24   26   29   29                                       
CONECT   26   25   27   27   44                                       
CONECT   27   22   26   26   45                                       
CONECT   28   23   23                                                 
CONECT   29   25   25                                                 
CONECT   30    2    2    2                                            
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
