COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.593   2.651  -0.181  1.00  0.00           S  
HETATM    2  C   UNL     1      -4.012   1.612  -0.207  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.654   0.333   0.142  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.317   0.172   0.419  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.570   1.306   0.303  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.322   2.030  -0.536  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.238   1.229  -0.523  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.557   3.319  -0.864  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.115   1.392   0.547  1.00  0.00           C  
HETATM   10  C   UNL     1       0.748   0.461  -0.032  1.00  0.00           C  
HETATM   11  C   UNL     1       2.112   0.549   0.201  1.00  0.00           C  
HETATM   12  C   UNL     1       2.615   1.562   1.009  1.00  0.00           C  
HETATM   13  C   UNL     1       1.760   2.484   1.583  1.00  0.00           C  
HETATM   14  C   UNL     1       0.402   2.409   1.352  1.00  0.00           C  
HETATM   15 BR   UNL     1      -1.574  -1.492   0.924  1.00  0.00          Br  
HETATM   16  O   UNL     1      -4.546  -0.688   0.208  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.751  -1.448  -0.985  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.767  -2.530  -0.723  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.120  -3.372  -1.706  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.265  -2.639   0.373  1.00  0.00           O  
HETATM   21  N   UNL     1       2.980  -0.382  -0.376  1.00  0.00           N  
HETATM   22  C   UNL     1       4.425  -0.289  -0.129  1.00  0.00           C  
HETATM   23  C   UNL     1       5.051  -1.672  -0.307  1.00  0.00           C  
HETATM   24  C   UNL     1       6.551  -1.613  -0.025  1.00  0.00           C  
HETATM   25  C   UNL     1       7.239  -0.565  -0.885  1.00  0.00           C  
HETATM   26  C   UNL     1       6.551   0.789  -0.938  1.00  0.00           C  
HETATM   27  C   UNL     1       5.045   0.669  -1.144  1.00  0.00           C  
HETATM   28  C   UNL     1       7.147  -2.990  -0.390  1.00  0.00           C  
HETATM   29  C   UNL     1       6.806  -1.382   1.463  1.00  0.00           C  
HETATM   30  C   UNL     1       7.125   1.562  -2.146  1.00  0.00           C  
HETATM   31  C   UNL     1       6.848   1.617   0.314  1.00  0.00           C  
HETATM   32  H   UNL     1      -6.482   3.509  -1.073  1.00  0.00           H  
HETATM   33  H   UNL     1       0.354  -0.325  -0.659  1.00  0.00           H  
HETATM   34  H   UNL     1       3.678   1.628   1.189  1.00  0.00           H  
HETATM   35  H   UNL     1       2.157   3.268   2.210  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.262   3.134   1.799  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.115  -0.792  -1.776  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.809  -1.901  -1.293  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.775  -4.049  -1.490  1.00  0.00           H  
HETATM   40  H   UNL     1       2.629  -1.089  -0.939  1.00  0.00           H  
HETATM   41  H   UNL     1       4.584   0.075   0.882  1.00  0.00           H  
HETATM   42  H   UNL     1       4.579  -2.374   0.383  1.00  0.00           H  
HETATM   43  H   UNL     1       4.887  -2.015  -1.330  1.00  0.00           H  
HETATM   44  H   UNL     1       8.266  -0.425  -0.515  1.00  0.00           H  
HETATM   45  H   UNL     1       7.328  -0.955  -1.911  1.00  0.00           H  
HETATM   46  H   UNL     1       4.845   0.301  -2.154  1.00  0.00           H  
HETATM   47  H   UNL     1       4.584   1.655  -1.037  1.00  0.00           H  
HETATM   48  H   UNL     1       6.966  -3.197  -1.445  1.00  0.00           H  
HETATM   49  H   UNL     1       8.220  -2.984  -0.200  1.00  0.00           H  
HETATM   50  H   UNL     1       6.675  -3.763   0.218  1.00  0.00           H  
HETATM   51  H   UNL     1       6.462  -2.247   2.029  1.00  0.00           H  
HETATM   52  H   UNL     1       7.873  -1.238   1.631  1.00  0.00           H  
HETATM   53  H   UNL     1       6.264  -0.494   1.791  1.00  0.00           H  
HETATM   54  H   UNL     1       6.931   1.003  -3.062  1.00  0.00           H  
HETATM   55  H   UNL     1       6.649   2.541  -2.211  1.00  0.00           H  
HETATM   56  H   UNL     1       8.200   1.689  -2.019  1.00  0.00           H  
HETATM   57  H   UNL     1       7.926   1.675   0.464  1.00  0.00           H  
HETATM   58  H   UNL     1       6.444   2.622   0.189  1.00  0.00           H  
HETATM   59  H   UNL     1       6.386   1.144   1.180  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   16                                       
CONECT    4    3    5    5   15                                       
CONECT    5    1    4    4    9                                       
CONECT    6    2    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   32                                                 
CONECT    9    5   10   14   14                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   21                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   14   35                                       
CONECT   14    9    9   13   36                                       
CONECT   15    4                                                      
CONECT   16    3   17                                                 
CONECT   17   16   18   37   38                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   39                                                 
CONECT   20   18   18                                                 
CONECT   21   11   22   40                                            
CONECT   22   21   23   27   41                                       
CONECT   23   22   24   42   43                                       
CONECT   24   23   25   28   29                                       
CONECT   25   24   26   44   45                                       
CONECT   26   25   27   30   31                                       
CONECT   27   22   26   46   47                                       
CONECT   28   24   48   49   50                                       
CONECT   29   24   51   52   53                                       
CONECT   30   26   54   55   56                                       
CONECT   31   26   57   58   59                                       
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
