COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.381   1.195  -0.565  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.075   0.956  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       2.179   2.397   0.516  1.00  0.00           C  
HETATM    4  C   UNL     1       0.322   0.731   0.374  1.00  0.00           C  
HETATM    5  C   UNL     1       1.197  -0.401   0.847  1.00  0.00           C  
HETATM    6  C   UNL     1       2.108   2.728  -0.976  1.00  0.00           C  
HETATM    7  C   UNL     1       3.273  -1.674   0.762  1.00  0.00           C  
HETATM    8  C   UNL     1       3.505   3.088  -1.486  1.00  0.00           C  
HETATM    9  C   UNL     1       4.340  -1.919  -0.307  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.733   0.718  -0.100  1.00  0.00           C  
HETATM   11  C   UNL     1       3.664  -2.316  -1.621  1.00  0.00           C  
HETATM   12  C   UNL     1       4.724  -2.599  -2.711  1.00  0.00           C  
HETATM   13  C   UNL     1       4.824  -1.228  -3.416  1.00  0.00           C  
HETATM   14  C   UNL     1       4.030   4.303  -0.719  1.00  0.00           C  
HETATM   15  C   UNL     1       2.863  -1.158  -2.174  1.00  0.00           C  
HETATM   16  C   UNL     1       4.101   3.973   0.773  1.00  0.00           C  
HETATM   17  C   UNL     1       2.704   3.613   1.283  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.434   1.442   0.845  1.00  0.00           C  
HETATM   19  C   UNL     1       0.782   2.037   1.025  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.674   1.005   1.272  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.213  -0.157   0.754  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.512  -0.883  -0.192  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.273  -0.442  -0.624  1.00  0.00           C  
HETATM   24  C   UNL     1       3.951  -1.400   2.106  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.068   0.462   0.748  1.00  0.00           N  
HETATM   26  N   UNL     1       2.457  -0.519   0.382  1.00  0.00           N  
HETATM   27  N   UNL     1       3.533  -0.571  -3.181  1.00  0.00           N  
HETATM   28  O   UNL     1      -3.349   0.626   0.282  1.00  0.00           O  
HETATM   29  O   UNL     1       1.774  -0.810  -1.769  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.832   1.699  -0.931  1.00  0.00           O  
HETATM   31  O   UNL     1       0.768  -1.206   1.646  1.00  0.00           O  
HETATM   32  O   UNL     1       2.955  -1.171   3.104  1.00  0.00           O  
HETATM   33 CL   UNL     1      -8.188  -2.343  -0.844  1.00  0.00          Cl  
HETATM   34  S   UNL     1       4.962  -2.831   2.577  1.00  0.00           S  
HETATM   35  H   UNL     1      -4.219   0.880  -1.596  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.340   2.283  -0.507  1.00  0.00           H  
HETATM   37  H   UNL     1       2.851   1.553   0.669  1.00  0.00           H  
HETATM   38  H   UNL     1       0.397   0.820  -0.710  1.00  0.00           H  
HETATM   39  H   UNL     1       1.734   1.862  -1.523  1.00  0.00           H  
HETATM   40  H   UNL     1       1.436   3.572  -1.130  1.00  0.00           H  
HETATM   41  H   UNL     1       2.637  -2.555   0.849  1.00  0.00           H  
HETATM   42  H   UNL     1       4.176   2.243  -1.333  1.00  0.00           H  
HETATM   43  H   UNL     1       3.454   3.323  -2.549  1.00  0.00           H  
HETATM   44  H   UNL     1       4.920  -1.008  -0.457  1.00  0.00           H  
HETATM   45  H   UNL     1       5.002  -2.721   0.018  1.00  0.00           H  
HETATM   46  H   UNL     1       3.025  -3.186  -1.472  1.00  0.00           H  
HETATM   47  H   UNL     1       5.678  -2.878  -2.264  1.00  0.00           H  
HETATM   48  H   UNL     1       4.378  -3.368  -3.401  1.00  0.00           H  
HETATM   49  H   UNL     1       5.632  -0.638  -2.982  1.00  0.00           H  
HETATM   50  H   UNL     1       4.988  -1.365  -4.485  1.00  0.00           H  
HETATM   51  H   UNL     1       5.025   4.560  -1.082  1.00  0.00           H  
HETATM   52  H   UNL     1       3.358   5.148  -0.873  1.00  0.00           H  
HETATM   53  H   UNL     1       4.773   3.128   0.926  1.00  0.00           H  
HETATM   54  H   UNL     1       4.475   4.839   1.319  1.00  0.00           H  
HETATM   55  H   UNL     1       2.032   4.457   1.129  1.00  0.00           H  
HETATM   56  H   UNL     1       2.755   3.377   2.346  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.013   2.351   1.251  1.00  0.00           H  
HETATM   58  H   UNL     1       0.811   1.913   2.108  1.00  0.00           H  
HETATM   59  H   UNL     1       0.085   2.836   0.770  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.221   1.571   2.011  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.182  -0.499   1.088  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.725  -1.008  -1.362  1.00  0.00           H  
HETATM   63  H   UNL     1       4.587  -0.519   2.019  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.265  -0.071   1.533  1.00  0.00           H  
HETATM   65  H   UNL     1       2.823   0.162  -0.205  1.00  0.00           H  
HETATM   66  H   UNL     1       3.205   0.189  -3.687  1.00  0.00           H  
HETATM   67  H   UNL     1       2.376  -0.419   2.918  1.00  0.00           H  
HETATM   68  H   UNL     1       5.842  -2.926   1.564  1.00  0.00           H  
CONECT    1   10   28   35   36                                       
CONECT    2   28   25   30   30                                       
CONECT    3    6   19   17   37                                       
CONECT    4   19   25    5   38                                       
CONECT    5   31   31    4   26                                       
CONECT    6    8    3   39   40                                       
CONECT    7   26   24    9   41                                       
CONECT    8    6   14   42   43                                       
CONECT    9    7   11   44   45                                       
CONECT   10   23   23   18    1                                       
CONECT   11   12    9   15   46                                       
CONECT   12   13   11   47   48                                       
CONECT   13   12   27   49   50                                       
CONECT   14    8   16   51   52                                       
CONECT   15   11   27   29   29                                       
CONECT   16   14   17   53   54                                       
CONECT   17    3   16   55   56                                       
CONECT   18   20   20   10   57                                       
CONECT   19    3    4   58   59                                       
CONECT   20   21   18   18   60                                       
CONECT   21   22   22   20   61                                       
CONECT   22   33   21   21   23                                       
CONECT   23   22   10   10   62                                       
CONECT   24    7   32   34   63                                       
CONECT   25    2    4   64                                            
CONECT   26    5    7   65                                            
CONECT   27   13   15   66                                            
CONECT   28    1    2                                                 
CONECT   29   15   15                                                 
CONECT   30    2    2                                                 
CONECT   31    5    5                                                 
CONECT   32   24   67                                                 
CONECT   33   22                                                      
CONECT   34   24   68                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
