COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -6.547  -0.586   0.834  1.00  0.00          Br  
HETATM    2 PD   UNL     1      -4.768   0.147  -0.312  1.00  0.00          Pd  
HETATM    3  S   UNL     1      -4.342  -0.856  -2.181  1.00  0.00           S1+
HETATM    4  S   UNL     1      -4.518   2.292  -0.441  1.00  0.00           S1+
HETATM    5  P   UNL     1       4.483  -0.360   0.928  1.00  0.00           P  
HETATM    6  O   UNL     1       4.538   1.231   0.688  1.00  0.00           O  
HETATM    7  O   UNL     1       4.349  -1.051  -0.374  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.008  -0.163   0.416  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.465  -1.247  -0.148  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.215  -1.512   0.465  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.716  -0.557   1.332  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.286   0.678   1.585  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.542   0.955   0.984  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.042  -1.914  -1.386  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.742  -1.995  -2.361  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.261   2.287   0.925  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.502   2.496  -1.930  1.00  0.00           C  
HETATM   18  C   UNL     1       0.557  -0.890   2.065  1.00  0.00           C  
HETATM   19  C   UNL     1       1.758  -0.428   1.237  1.00  0.00           C  
HETATM   20  C   UNL     1       3.051  -0.766   1.981  1.00  0.00           C  
HETATM   21  C   UNL     1       3.833   1.883  -0.370  1.00  0.00           C  
HETATM   22  C   UNL     1       4.011   3.398  -0.244  1.00  0.00           C  
HETATM   23  O   UNL     1       5.837  -0.840   1.654  1.00  0.00           O  
HETATM   24  H   UNL     1      -0.673  -2.424   0.263  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.794   1.403   2.215  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.483  -2.870  -1.103  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.239  -2.091  -2.102  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.893  -2.536  -1.426  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.642  -1.430  -2.603  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.532  -2.705  -3.161  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.528   3.073   0.740  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.762   2.483   1.873  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.030   2.083  -2.789  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.310   3.556  -2.096  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.556   1.971  -1.799  1.00  0.00           H  
HETATM   36  H   UNL     1       0.564  -0.383   3.030  1.00  0.00           H  
HETATM   37  H   UNL     1       0.616  -1.967   2.220  1.00  0.00           H  
HETATM   38  H   UNL     1       1.751  -0.935   0.272  1.00  0.00           H  
HETATM   39  H   UNL     1       1.699   0.650   1.082  1.00  0.00           H  
HETATM   40  H   UNL     1       3.066  -1.830   2.220  1.00  0.00           H  
HETATM   41  H   UNL     1       3.102  -0.186   2.903  1.00  0.00           H  
HETATM   42  H   UNL     1       4.228   1.550  -1.330  1.00  0.00           H  
HETATM   43  H   UNL     1       2.773   1.636  -0.308  1.00  0.00           H  
HETATM   44  H   UNL     1       3.473   3.895  -1.051  1.00  0.00           H  
HETATM   45  H   UNL     1       3.615   3.731   0.716  1.00  0.00           H  
HETATM   46  H   UNL     1       5.070   3.646  -0.306  1.00  0.00           H  
HETATM   47  C   UNL     1       6.961  -0.638   0.918  1.00  0.00           C  
HETATM   48  C   UNL     1       9.249  -0.227  -0.582  1.00  0.00           C  
HETATM   49  C   UNL     1       8.562  -1.423  -0.685  1.00  0.00           C  
HETATM   50  C   UNL     1       7.419  -1.630   0.063  1.00  0.00           C  
HETATM   51  C   UNL     1       7.649   0.563   1.014  1.00  0.00           C  
HETATM   52  C   UNL     1       8.791   0.765   0.264  1.00  0.00           C  
HETATM   53  N   UNL     1      10.473  -0.008  -1.384  1.00  0.00           N1+
HETATM   54  O   UNL     1      10.875  -0.880  -2.134  1.00  0.00           O1-
HETATM   55  O   UNL     1      11.079   1.045  -1.295  1.00  0.00           O  
HETATM   56  H   UNL     1       8.921  -2.197  -1.347  1.00  0.00           H  
HETATM   57  H   UNL     1       6.883  -2.565  -0.017  1.00  0.00           H  
HETATM   58  H   UNL     1       7.291   1.339   1.675  1.00  0.00           H  
HETATM   59  H   UNL     1       9.329   1.698   0.343  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    8    4    3                                       
CONECT    3   14    2   15                                            
CONECT    4    2   17   16                                            
CONECT    5   23    6    7    7                                       
CONECT    5   20                                                      
CONECT    6    5   21                                                 
CONECT    7    5    5                                                 
CONECT    8    2   13   13    9                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   24                                       
CONECT   11   10   12   12   18                                       
CONECT   12   11   11   25   13                                       
CONECT   13    8    8   16   12                                       
CONECT   14    3    9   26   27                                       
CONECT   15    3   28   29   30                                       
CONECT   16    4   13   31   32                                       
CONECT   17    4   33   34   35                                       
CONECT   18   11   19   36   37                                       
CONECT   19   18   20   38   39                                       
CONECT   20   19    5   40   41                                       
CONECT   21    6   22   42   43                                       
CONECT   22   21   44   45   46                                       
CONECT   23    5   47                                                 
CONECT   24   10                                                      
CONECT   25   12                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23   50   50   51                                       
CONECT   48   49   49   52   53                                       
CONECT   49   48   48   50   56                                       
CONECT   50   47   47   49   57                                       
CONECT   51   47   52   52   58                                       
CONECT   52   51   51   48   59                                       
CONECT   53   48   54   55   55                                       
CONECT   54   53                                                      
CONECT   55   53   53                                                 
CONECT   56   49                                                      
CONECT   57   50                                                      
CONECT   58   51                                                      
CONECT   59   52                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
