COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.735  -0.343  -0.275  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.266  -0.466  -0.077  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.845   0.847   0.454  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.080  -2.967  -0.174  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.908  -5.060  -1.116  1.00  0.00           C  
HETATM    6  C   UNL     1       0.303  -2.995   0.099  1.00  0.00           C  
HETATM    7  C   UNL     1       1.251  -0.633   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1       1.934   0.451   0.500  1.00  0.00           C  
HETATM    9  C   UNL     1       2.775   2.754  -0.107  1.00  0.00           C  
HETATM   10  C   UNL     1       4.245   2.480   0.084  1.00  0.00           C  
HETATM   11  C   UNL     1       5.960   0.948   0.231  1.00  0.00           C  
HETATM   12  C   UNL     1       6.467   3.272   0.453  1.00  0.00           C  
HETATM   13  C   UNL     1       5.116   3.534   0.278  1.00  0.00           C  
HETATM   14  C   UNL     1       6.892   1.953   0.426  1.00  0.00           C  
HETATM   15 BR   UNL     1       6.524  -0.856   0.198  1.00  0.00          Br  
HETATM   16  N   UNL     1       4.683   1.236   0.068  1.00  0.00           N  
HETATM   17  O   UNL     1       2.598   3.671  -1.189  1.00  0.00           O  
HETATM   18  C   UNL     1       2.199   3.360   1.175  1.00  0.00           C  
HETATM   19  C   UNL     1       2.060   1.465  -0.419  1.00  0.00           C  
HETATM   20  C   UNL     1       1.501   1.224  -1.611  1.00  0.00           C  
HETATM   21  S   UNL     1       0.773  -0.319  -1.644  1.00  0.00           S  
HETATM   22  C   UNL     1       0.969  -1.860   0.767  1.00  0.00           C  
HETATM   23  O   UNL     1       1.283  -1.944   1.941  1.00  0.00           O  
HETATM   24  C   UNL     1       1.025  -4.130  -0.282  1.00  0.00           C  
HETATM   25  N   UNL     1       0.389  -5.124  -0.877  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.634  -4.015  -0.777  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.845  -1.877   0.184  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.257  -1.815  -0.203  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.144  -2.447   0.890  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.474  -3.792   0.534  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.424  -1.589   0.970  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.570  -2.385   0.665  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.714   1.863  -0.542  1.00  0.00           O  
HETATM   34  S   UNL     1      -6.260   3.219  -0.118  1.00  0.00           S  
HETATM   35  O   UNL     1      -6.235   4.041  -1.277  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.443   2.961   0.626  1.00  0.00           O  
HETATM   37  N   UNL     1      -5.173   3.875   0.945  1.00  0.00           N  
HETATM   38  H   UNL     1      -3.505   0.091  -1.248  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.289   0.248   0.525  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.751  -0.744  -1.013  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.899   0.708   0.696  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.304   1.145   1.352  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.390  -5.894  -1.605  1.00  0.00           H  
HETATM   44  H   UNL     1       2.334   0.504   1.502  1.00  0.00           H  
HETATM   45  H   UNL     1       7.171   4.076   0.608  1.00  0.00           H  
HETATM   46  H   UNL     1       4.750   4.550   0.294  1.00  0.00           H  
HETATM   47  H   UNL     1       7.936   1.712   0.559  1.00  0.00           H  
HETATM   48  H   UNL     1       2.941   3.352  -2.035  1.00  0.00           H  
HETATM   49  H   UNL     1       2.717   4.292   1.400  1.00  0.00           H  
HETATM   50  H   UNL     1       1.136   3.558   1.037  1.00  0.00           H  
HETATM   51  H   UNL     1       2.334   2.661   2.000  1.00  0.00           H  
HETATM   52  H   UNL     1       1.510   1.914  -2.442  1.00  0.00           H  
HETATM   53  H   UNL     1       2.086  -4.194  -0.093  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.449  -1.151   0.691  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.413  -2.313  -1.159  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.625  -2.431   1.848  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.031  -4.244   1.182  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.522  -1.158   1.966  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.723  -3.109   1.287  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.368   3.387   1.178  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.341   4.747   1.334  1.00  0.00           H  
CONECT    1    2   28   38   39                                       
CONECT    2   31    3    1   40                                       
CONECT    3   33    2   41   42                                       
CONECT    4   26   27    6    6                                       
CONECT    5   26   26   25   43                                       
CONECT    6    4    4   24   22                                       
CONECT    7   22    8    8   21                                       
CONECT    8    7    7   19   44                                       
CONECT    9   17   19   10   18                                       
CONECT   10   16    9   13   13                                       
CONECT   11   15   16   16   14                                       
CONECT   12   14   14   13   45                                       
CONECT   13   10   10   12   46                                       
CONECT   14   11   12   12   47                                       
CONECT   15   11                                                      
CONECT   16   11   11   10                                            
CONECT   17    9   48                                                 
CONECT   18    9   49   50   51                                       
CONECT   19    8    9   20   20                                       
CONECT   20   19   19   21   52                                       
CONECT   21    7   20                                                 
CONECT   22    6   23   23    7                                       
CONECT   23   22   22                                                 
CONECT   24   25   25    6   53                                       
CONECT   25    5   24   24                                            
CONECT   26    5    5    4                                            
CONECT   27   28    4   54                                            
CONECT   28   29    1   27   55                                       
CONECT   29   31   30   28   56                                       
CONECT   30   29   57                                                 
CONECT   31   32    2   29   58                                       
CONECT   32   31   59                                                 
CONECT   33   34    3                                                 
CONECT   34   35   35   33   36                                       
CONECT   34   36   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   60   61                                            
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   37                                                      
CONECT   61   37                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
