COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.994   3.453  -2.860  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.318   3.485  -1.510  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.336   3.308  -0.559  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.012   3.096  -0.956  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.692   3.065  -2.317  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.682   3.238  -3.260  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.959   2.906   0.056  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.842   1.876   0.930  1.00  0.00           C  
HETATM    9  C   UNL     1       0.418   2.163   1.753  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.743   0.718   1.062  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.860  -0.202   0.016  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.704  -1.284   0.145  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.438  -1.460   1.311  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.325  -0.549   2.353  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.479   0.533   2.236  1.00  0.00           C  
HETATM   16  C   UNL     1       0.232   3.829   0.331  1.00  0.00           C  
HETATM   17  C   UNL     1       1.608   1.897   0.779  1.00  0.00           C  
HETATM   18  C   UNL     1       1.472   3.074  -0.241  1.00  0.00           C  
HETATM   19  O   UNL     1       0.398   3.630   1.779  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.273  -2.525   1.431  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.342  -3.424   0.322  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.326  -4.551   0.639  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.680  -3.997   0.774  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.160  -3.464  -0.508  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.609  -5.000   1.308  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.966   3.628  -3.793  1.00  0.00           O  
HETATM   27  S   UNL     1       3.193   1.970   1.659  1.00  0.00           S  
HETATM   28  O   UNL     1       4.241   1.797   0.569  1.00  0.00           O  
HETATM   29  C   UNL     1       4.349   0.525   0.102  1.00  0.00           C  
HETATM   30  C   UNL     1       3.593   0.119  -0.988  1.00  0.00           C  
HETATM   31  C   UNL     1       3.704  -1.175  -1.461  1.00  0.00           C  
HETATM   32  C   UNL     1       4.568  -2.065  -0.847  1.00  0.00           C  
HETATM   33  C   UNL     1       5.322  -1.661   0.240  1.00  0.00           C  
HETATM   34  C   UNL     1       5.219  -0.367   0.712  1.00  0.00           C  
HETATM   35 BR   UNL     1       4.717  -3.835  -1.495  1.00  0.00          Br  
HETATM   36  O   UNL     1       3.424   3.278   2.163  1.00  0.00           O  
HETATM   37  O   UNL     1       3.357   0.826   2.487  1.00  0.00           O  
HETATM   38  H   UNL     1      -5.340   3.649  -1.204  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.588   3.333   0.490  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.671   2.897  -2.628  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.435   3.214  -4.311  1.00  0.00           H  
HETATM   42  H   UNL     1       0.476   1.658   2.717  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.291  -0.065  -0.891  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.796  -1.995  -0.663  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.898  -0.690   3.257  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.392   1.241   3.047  1.00  0.00           H  
HETATM   47  H   UNL     1       0.115   4.861   0.001  1.00  0.00           H  
HETATM   48  H   UNL     1       1.490   0.939   0.272  1.00  0.00           H  
HETATM   49  H   UNL     1       1.290   2.698  -1.248  1.00  0.00           H  
HETATM   50  H   UNL     1       2.356   3.712  -0.220  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.680  -2.884  -0.563  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.354  -3.846   0.134  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.312  -5.284  -0.168  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.037  -5.034   1.572  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.182  -4.263  -1.248  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.164  -3.059  -0.380  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.490  -2.673  -0.847  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.648  -5.856   0.633  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.266  -5.327   2.290  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.604  -4.563   1.398  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.104   4.550  -4.050  1.00  0.00           H  
HETATM   62  H   UNL     1       2.918   0.813  -1.467  1.00  0.00           H  
HETATM   63  H   UNL     1       3.116  -1.491  -2.309  1.00  0.00           H  
HETATM   64  H   UNL     1       5.996  -2.358   0.718  1.00  0.00           H  
HETATM   65  H   UNL     1       5.811  -0.052   1.558  1.00  0.00           H  
CONECT    1    6   26    2    2                                       
CONECT    2    1    1    3   38                                       
CONECT    3    4    4    2   39                                       
CONECT    4    5    7    3    3                                       
CONECT    5    6    6    4   40                                       
CONECT    6    5    5    1   41                                       
CONECT    7    8    8    4   16                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8   17   19   42                                       
CONECT   10   15   15   11    8                                       
CONECT   11   12   12   10   43                                       
CONECT   12   13   11   11   44                                       
CONECT   13   20   14   14   12                                       
CONECT   14   13   13   15   45                                       
CONECT   15   14   10   10   46                                       
CONECT   16    7   19   18   47                                       
CONECT   17    9   27   18   48                                       
CONECT   18   17   16   49   50                                       
CONECT   19    9   16                                                 
CONECT   20   21   13                                                 
CONECT   21   22   20   51   52                                       
CONECT   22   23   21   53   54                                       
CONECT   23   25   24   22                                            
CONECT   24   23   55   56   57                                       
CONECT   25   23   58   59   60                                       
CONECT   26    1   61                                                 
CONECT   27   37   37   36   36                                       
CONECT   27   17   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   34   34   30                                       
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32   63                                       
CONECT   32   33   33   31   35                                       
CONECT   33   34   32   32   64                                       
CONECT   34   29   29   33   65                                       
CONECT   35   32                                                      
CONECT   36   27   27                                                 
CONECT   37   27   27                                                 
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
