COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.212   1.353  -0.126  1.00  0.00           C  
HETATM    2  C   UNL     1       2.622   1.243  -0.045  1.00  0.00           C  
HETATM    3  C   UNL     1       3.450   0.064   0.224  1.00  0.00           C  
HETATM    4  C   UNL     1       4.508  -1.935   1.123  1.00  0.00           C  
HETATM    5  C   UNL     1       3.194  -1.416   0.507  1.00  0.00           C  
HETATM    6  C   UNL     1       2.886  -2.161  -0.793  1.00  0.00           C  
HETATM    7  C   UNL     1       2.517  -3.589  -0.479  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.988   0.464  -0.045  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.552   0.812   1.334  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.063   1.024   1.227  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.724  -0.257   0.715  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.159  -0.606  -0.664  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.648  -0.818  -0.558  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.378  -1.076   0.315  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.868  -1.324   0.354  1.00  0.00           C  
HETATM   16  O   UNL     1       2.503  -3.972   0.672  1.00  0.00           O  
HETATM   17  N   UNL     1       2.204  -4.439  -1.476  1.00  0.00           N  
HETATM   18  C   UNL     1       5.539  -0.963   0.515  1.00  0.00           C  
HETATM   19  C   UNL     1       4.752   0.313   0.229  1.00  0.00           C  
HETATM   20  C   UNL     1       3.376   2.396  -0.240  1.00  0.00           C  
HETATM   21  S   UNL     1       5.082   2.014  -0.095  1.00  0.00           S  
HETATM   22  N   UNL     1       2.747   3.552  -0.493  1.00  0.00           N  
HETATM   23  C   UNL     1       1.437   3.604  -0.559  1.00  0.00           C  
HETATM   24  N   UNL     1       0.679   2.535  -0.387  1.00  0.00           N  
HETATM   25  O   UNL     1       0.424   0.266   0.054  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.175  -0.054   0.613  1.00  0.00           N  
HETATM   27  O   UNL     1      -7.670  -0.088  -0.677  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.011   1.162  -0.455  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.496   0.937  -0.425  1.00  0.00           C  
HETATM   30  H   UNL     1       4.489  -1.853   2.210  1.00  0.00           H  
HETATM   31  H   UNL     1       4.707  -2.961   0.814  1.00  0.00           H  
HETATM   32  H   UNL     1       2.373  -1.531   1.215  1.00  0.00           H  
HETATM   33  H   UNL     1       2.054  -1.675  -1.302  1.00  0.00           H  
HETATM   34  H   UNL     1       3.765  -2.147  -1.437  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.192   1.280  -0.738  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.347  -0.004   2.027  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.081   1.725   1.699  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.465   1.273   2.210  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.268   1.840   0.535  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.519  -1.073   1.408  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.630  -1.519  -1.028  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.364   0.211  -1.357  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.246  -1.066  -1.540  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.443  -1.634   0.135  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.893  -2.004   0.067  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.715  -0.722   1.290  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.636  -2.033   1.149  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.541  -1.729  -0.603  1.00  0.00           H  
HETATM   49  H   UNL     1       2.215  -4.132  -2.397  1.00  0.00           H  
HETATM   50  H   UNL     1       1.967  -5.357  -1.274  1.00  0.00           H  
HETATM   51  H   UNL     1       6.339  -0.763   1.227  1.00  0.00           H  
HETATM   52  H   UNL     1       5.948  -1.373  -0.409  1.00  0.00           H  
HETATM   53  H   UNL     1       0.962   4.552  -0.765  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.260   1.853  -1.261  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.337   1.581   0.497  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.993   1.877  -0.199  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.163   0.568  -1.395  1.00  0.00           H  
CONECT    1   24   24    2   25                                       
CONECT    2   20   20    1    3                                       
CONECT    3    2   19   19    5                                       
CONECT    4   18    5   30   31                                       
CONECT    5    3    4    6   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6   17   16   16                                       
CONECT    8   25   13    9   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   12   10   26   40                                       
CONECT   12   13   11   41   42                                       
CONECT   13    8   12   43   44                                       
CONECT   14   27   15   45   46                                       
CONECT   15   26   14   47   48                                       
CONECT   16    7    7                                                 
CONECT   17    7   49   50                                            
CONECT   18   19    4   51   52                                       
CONECT   19   21    3    3   18                                       
CONECT   20   22   21    2    2                                       
CONECT   21   20   19                                                 
CONECT   22   23   23   20                                            
CONECT   23   22   22   24   53                                       
CONECT   24   23    1    1                                            
CONECT   25    1    8                                                 
CONECT   26   29   11   15                                            
CONECT   27   28   14                                                 
CONECT   28   29   27   54   55                                       
CONECT   29   28   26   56   57                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   23                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
