COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.275  -2.989  -1.577  1.00  0.00           C  
HETATM    2  C   UNL     1       4.328   0.025   0.783  1.00  0.00           C  
HETATM    3  C   UNL     1       5.779   1.279   2.291  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.394   0.063   1.314  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.012  -0.760   0.270  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.263  -0.252  -0.776  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.894   1.079  -0.780  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.275   1.907   0.265  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.026   1.396   1.314  1.00  0.00           C  
HETATM   10  C   UNL     1       2.557   1.474  -0.308  1.00  0.00           C  
HETATM   11  C   UNL     1       1.387   1.225  -0.937  1.00  0.00           C  
HETATM   12  C   UNL     1       2.196  -0.688  -0.340  1.00  0.00           C  
HETATM   13  C   UNL     1       6.174   1.665   0.843  1.00  0.00           C  
HETATM   14  C   UNL     1       5.506   0.585  -0.032  1.00  0.00           C  
HETATM   15  C   UNL     1       4.320   0.785   2.126  1.00  0.00           C  
HETATM   16  N   UNL     1       0.524   2.186  -1.490  1.00  0.00           N  
HETATM   17  N   UNL     1       3.069   0.256   0.070  1.00  0.00           N  
HETATM   18  N   UNL     1       1.194  -0.105  -0.940  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.912   3.217   0.263  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.677   0.634  -2.985  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.590   2.916  -2.533  1.00  0.00           O  
HETATM   22  O   UNL     1       1.048  -2.921  -0.108  1.00  0.00           O  
HETATM   23  O   UNL     1       3.199  -2.537   1.052  1.00  0.00           O  
HETATM   24  S   UNL     1      -0.939   1.725  -2.113  1.00  0.00           S  
HETATM   25  S   UNL     1       2.379  -2.424  -0.104  1.00  0.00           S  
HETATM   26 BR   UNL     1      -3.515  -2.583   0.273  1.00  0.00          Br  
HETATM   27 CL   UNL     1      -3.511   2.431   2.621  1.00  0.00          Cl  
HETATM   28  H   UNL     1       4.238  -2.483  -1.633  1.00  0.00           H  
HETATM   29  H   UNL     1       3.434  -4.066  -1.515  1.00  0.00           H  
HETATM   30  H   UNL     1       2.691  -2.759  -2.468  1.00  0.00           H  
HETATM   31  H   UNL     1       4.468  -1.041   0.958  1.00  0.00           H  
HETATM   32  H   UNL     1       6.418   0.480   2.665  1.00  0.00           H  
HETATM   33  H   UNL     1       5.820   2.146   2.951  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.982  -0.335   2.128  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.965  -0.897  -1.590  1.00  0.00           H  
HETATM   36  H   UNL     1       3.006   2.442  -0.140  1.00  0.00           H  
HETATM   37  H   UNL     1       5.787   2.653   0.592  1.00  0.00           H  
HETATM   38  H   UNL     1       7.258   1.638   0.723  1.00  0.00           H  
HETATM   39  H   UNL     1       6.219  -0.210  -0.253  1.00  0.00           H  
HETATM   40  H   UNL     1       5.142   1.028  -0.959  1.00  0.00           H  
HETATM   41  H   UNL     1       3.633   1.630   2.082  1.00  0.00           H  
HETATM   42  H   UNL     1       4.050   0.114   2.943  1.00  0.00           H  
HETATM   43  H   UNL     1       0.786   3.120  -1.506  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.584   3.811  -0.100  1.00  0.00           H  
CONECT    1   25   28   29   30                                       
CONECT    2   14   15   17   31                                       
CONECT    3   13   15   32   33                                       
CONECT    4    5    5    9   34                                       
CONECT    5   26    6    4    4                                       
CONECT    6    7    7    5   35                                       
CONECT    7   24    6    6    8                                       
CONECT    8    7    9    9   19                                       
CONECT    9    4    8    8   27                                       
CONECT   10   17   11   11   36                                       
CONECT   11   10   10   16   18                                       
CONECT   12   17   25   18   18                                       
CONECT   13   14    3   37   38                                       
CONECT   14   13    2   39   40                                       
CONECT   15    3    2   41   42                                       
CONECT   16   24   11   43                                            
CONECT   17    2   10   12                                            
CONECT   18   11   12   12                                            
CONECT   19    8   44                                                 
CONECT   20   24   24                                                 
CONECT   21   24   24                                                 
CONECT   22   25   25                                                 
CONECT   23   25   25                                                 
CONECT   24   20   20   21   21                                       
CONECT   24   16    7                                                 
CONECT   25    1   12   22   22                                       
CONECT   25   23   23                                                 
CONECT   26    5                                                      
CONECT   27    9                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
