COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.231   0.043  -0.908  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.356  -1.336  -0.747  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.643  -1.272  -1.269  1.00  0.00           C  
HETATM    4  C   UNL     1       4.712   1.369   0.242  1.00  0.00           C  
HETATM    5  C   UNL     1       0.577   0.638   0.454  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.436  -2.418  -1.253  1.00  0.00           C  
HETATM    7  C   UNL     1       0.133  -2.511  -0.222  1.00  0.00           C  
HETATM    8  C   UNL     1       1.101   2.066   0.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.835   1.835   0.689  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.825   0.482   0.343  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.116   0.915  -1.278  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.576   1.465   2.368  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.747   2.324   1.743  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.751   3.500   2.045  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.975   2.722   0.039  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.121   2.257  -0.940  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.181   0.415  -2.349  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.910   0.015  -1.739  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.867   0.846  -1.566  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.816   2.016  -1.880  1.00  0.00           O  
HETATM   21  N   UNL     1       2.212   2.039  -0.695  1.00  0.00           N  
HETATM   22  C   UNL     1       1.996   1.421  -2.010  1.00  0.00           C  
HETATM   23  C   UNL     1       1.464  -0.002  -1.805  1.00  0.00           C  
HETATM   24  S   UNL     1       3.682   2.692  -0.302  1.00  0.00           S  
HETATM   25  O   UNL     1       3.463   3.521   0.831  1.00  0.00           O  
HETATM   26  O   UNL     1       4.247   3.167  -1.516  1.00  0.00           O  
HETATM   27  C   UNL     1       5.807   0.990  -0.513  1.00  0.00           C  
HETATM   28  C   UNL     1       6.617  -0.043  -0.084  1.00  0.00           C  
HETATM   29  C   UNL     1       6.334  -0.699   1.100  1.00  0.00           C  
HETATM   30  C   UNL     1       5.240  -0.321   1.855  1.00  0.00           C  
HETATM   31  C   UNL     1       4.429   0.714   1.426  1.00  0.00           C  
HETATM   32 CL   UNL     1       3.054   1.189   2.374  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -0.661  -3.646  -0.210  1.00  0.00           C  
HETATM   34 BR   UNL     1       0.006  -5.262   0.511  1.00  0.00          Br  
HETATM   35  C   UNL     1      -1.943  -3.594  -0.726  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.966   0.031  -0.638  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.315   0.658   1.080  1.00  0.00           H  
HETATM   38  H   UNL     1       1.344   0.029   0.932  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.438  -2.385  -1.654  1.00  0.00           H  
HETATM   40  H   UNL     1       1.135  -2.548   0.179  1.00  0.00           H  
HETATM   41  H   UNL     1       0.302   2.701  -0.117  1.00  0.00           H  
HETATM   42  H   UNL     1       1.454   2.455   1.222  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.488  -0.209   0.842  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.155   1.832   3.051  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.978   3.769   0.302  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.455   2.942  -1.443  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.629  -0.442  -2.851  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.002   1.209  -3.074  1.00  0.00           H  
HETATM   49  H   UNL     1       1.268   2.005  -2.573  1.00  0.00           H  
HETATM   50  H   UNL     1       2.938   1.386  -2.557  1.00  0.00           H  
HETATM   51  H   UNL     1       2.234  -0.613  -1.334  1.00  0.00           H  
HETATM   52  H   UNL     1       1.197  -0.433  -2.770  1.00  0.00           H  
HETATM   53  H   UNL     1       6.028   1.502  -1.438  1.00  0.00           H  
HETATM   54  H   UNL     1       7.472  -0.340  -0.674  1.00  0.00           H  
HETATM   55  H   UNL     1       6.968  -1.507   1.435  1.00  0.00           H  
HETATM   56  H   UNL     1       5.019  -0.833   2.780  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.562  -4.479  -0.717  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.957  -1.015  -0.907  1.00  0.00           H  
CONECT    1    2   19    5   23                                       
CONECT    2    7    7    3    1                                       
CONECT    3    6    6    2   18                                       
CONECT    4   24   31   31   27                                       
CONECT    5    1    8   37   38                                       
CONECT    6   35    3    3   39                                       
CONECT    7   33    2    2   40                                       
CONECT    8    5   21   41   42                                       
CONECT    9   10   13   15   15                                       
CONECT   10   36   36    9   43                                       
CONECT   11   36   17   16   16                                       
CONECT   12   13   44                                                 
CONECT   13   14   14    9   12                                       
CONECT   14   13   13                                                 
CONECT   15    9    9   16   45                                       
CONECT   16   11   11   15   46                                       
CONECT   17   11   18   47   48                                       
CONECT   18    3   17   19                                            
CONECT   19   18    1   20   20                                       
CONECT   20   19   19                                                 
CONECT   21    8   22   24                                            
CONECT   22   23   21   49   50                                       
CONECT   23    1   22   51   52                                       
CONECT   24   21   26   26   25                                       
CONECT   24   25    4                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    4   28   28   53                                       
CONECT   28   27   27   29   54                                       
CONECT   29   30   30   28   55                                       
CONECT   30   31   29   29   56                                       
CONECT   31   32    4    4   30                                       
CONECT   32   31                                                      
CONECT   33   34   35   35    7                                       
CONECT   34   33                                                      
CONECT   35   33   33    6   57                                       
CONECT   36   10   10   11   58                                       
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   35                                                      
CONECT   58   36                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
