COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.521   0.373  -0.413  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.165  -0.900   0.019  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.500  -1.346   0.348  1.00  0.00           C  
HETATM    4  C   UNL     1       1.551   1.179   0.310  1.00  0.00           C  
HETATM    5  C   UNL     1       0.790   0.026   0.165  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.552   0.224   0.215  1.00  0.00           C  
HETATM    7  C   UNL     1       2.982   1.131   0.273  1.00  0.00           C  
HETATM    8  C   UNL     1       4.155   1.092   0.242  1.00  0.00           C  
HETATM    9  C   UNL     1       5.586   1.044   0.205  1.00  0.00           C  
HETATM   10  C   UNL     1       6.243  -0.176   0.025  1.00  0.00           C  
HETATM   11  C   UNL     1       7.621  -0.214  -0.010  1.00  0.00           C  
HETATM   12  C   UNL     1       8.353   0.952   0.132  1.00  0.00           C  
HETATM   13  C   UNL     1       7.709   2.164   0.310  1.00  0.00           C  
HETATM   14  C   UNL     1       6.331   2.218   0.342  1.00  0.00           C  
HETATM   15  C   UNL     1       8.332  -1.529  -0.203  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.793  -0.129  -0.073  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.857   0.725  -0.443  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.185  -1.777   0.408  1.00  0.00           C  
HETATM   19 CL   UNL     1      -7.312   2.315  -0.974  1.00  0.00          Cl  
HETATM   20  N   UNL     1      -3.825  -1.295   0.063  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.853  -0.368   0.174  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.144   0.801   0.340  1.00  0.00           O  
HETATM   23  N   UNL     1       0.915   2.312   0.477  1.00  0.00           N  
HETATM   24  S   UNL     1      -0.746   1.968   0.459  1.00  0.00           S  
HETATM   25  N   UNL     1      -1.559  -0.736   0.100  1.00  0.00           N  
HETATM   26 BR   UNL     1       1.561  -1.683  -0.085  1.00  0.00          Br  
HETATM   27  O   UNL     1       8.528  -1.764  -1.599  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.880  -3.069   0.855  1.00  0.00           N  
HETATM   29  H   UNL     1      -4.762   1.079  -0.717  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.295  -2.015   0.642  1.00  0.00           H  
HETATM   31  H   UNL     1       5.673  -1.087  -0.085  1.00  0.00           H  
HETATM   32  H   UNL     1       9.432   0.916   0.104  1.00  0.00           H  
HETATM   33  H   UNL     1       8.286   3.070   0.416  1.00  0.00           H  
HETATM   34  H   UNL     1       5.830   3.165   0.481  1.00  0.00           H  
HETATM   35  H   UNL     1       9.299  -1.496   0.298  1.00  0.00           H  
HETATM   36  H   UNL     1       7.730  -2.333   0.220  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.594  -2.236   0.013  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.327  -1.668  -0.032  1.00  0.00           H  
HETATM   39  H   UNL     1       8.981  -2.594  -1.799  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.592  -3.669   1.125  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.957  -3.363   0.893  1.00  0.00           H  
CONECT    1    2    2   17   29                                       
CONECT    2   18   20    1    1                                       
CONECT    3   18   18   16   30                                       
CONECT    4    5    7   23   23                                       
CONECT    5   26    6    6    4                                       
CONECT    6   25    5    5   24                                       
CONECT    7    8    8    8    4                                       
CONECT    8    9    7    7    7                                       
CONECT    9   14    8   10   10                                       
CONECT   10    9    9   11   31                                       
CONECT   11   12   12   10   15                                       
CONECT   12   13   11   11   32                                       
CONECT   13   14   14   12   33                                       
CONECT   14   13   13    9   34                                       
CONECT   15   11   27   35   36                                       
CONECT   16    3   17   17                                            
CONECT   17   16   16    1   19                                       
CONECT   18   28    3    3    2                                       
CONECT   19   17                                                      
CONECT   20    2   21   37                                            
CONECT   21   20   25   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    4    4   24                                            
CONECT   24    6   23                                                 
CONECT   25   21    6   38                                            
CONECT   26    5                                                      
CONECT   27   15   39                                                 
CONECT   28   18   40   41                                            
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   25                                                      
CONECT   39   27                                                      
CONECT   40   28                                                      
CONECT   41   28                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
