COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.757  -0.901   0.892  1.00  0.00           C  
HETATM    2  C   UNL     1       2.896  -1.505  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.910  -2.676  -0.731  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.737  -1.201  -0.040  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.481   0.872  -0.939  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.571   3.125   0.910  1.00  0.00           C  
HETATM    7  O   UNL     1       1.719  -3.765  -0.212  1.00  0.00           O  
HETATM    8  S   UNL     1       1.642  -2.593   0.588  1.00  0.00           S  
HETATM    9  O   UNL     1       1.759  -2.610   2.004  1.00  0.00           O  
HETATM   10  C   UNL     1       4.747  -0.035   0.430  1.00  0.00           C  
HETATM   11  C   UNL     1       5.670   0.613   1.382  1.00  0.00           C  
HETATM   12  O   UNL     1       5.569   0.391   2.572  1.00  0.00           O  
HETATM   13  C   UNL     1       6.717   1.531   0.886  1.00  0.00           C  
HETATM   14  C   UNL     1       7.590   2.146   1.778  1.00  0.00           C  
HETATM   15  C   UNL     1       8.568   3.004   1.306  1.00  0.00           C  
HETATM   16  C   UNL     1       8.683   3.257  -0.049  1.00  0.00           C  
HETATM   17  C   UNL     1       7.823   2.654  -0.950  1.00  0.00           C  
HETATM   18  C   UNL     1       6.834   1.787  -0.492  1.00  0.00           C  
HETATM   19  C   UNL     1       3.011  -1.259  -1.364  1.00  0.00           C  
HETATM   20  O   UNL     1       2.158  -1.857  -2.234  1.00  0.00           O  
HETATM   21  C   UNL     1       3.997  -0.401  -1.841  1.00  0.00           C  
HETATM   22  C   UNL     1       4.863   0.221  -0.950  1.00  0.00           C  
HETATM   23  C   UNL     1       5.911   1.138  -1.446  1.00  0.00           C  
HETATM   24  O   UNL     1       6.012   1.360  -2.637  1.00  0.00           O  
HETATM   25  N   UNL     1       0.182  -1.890   0.248  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.457  -0.987   1.216  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.869  -1.506   1.512  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.549  -1.773   0.237  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.498  -2.157  -1.028  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.289  -1.429  -1.095  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.380  -0.277   0.962  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.711   0.233   0.406  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.618  -0.862   0.264  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.037   0.435  -1.919  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.658   1.927  -1.049  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.483   2.492  -2.375  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.303   1.266   1.366  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.614   1.768   0.818  1.00  0.00           C  
HETATM   39  O   UNL     1      -8.031   1.343  -0.233  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.318   2.687   1.498  1.00  0.00           O  
HETATM   41  H   UNL     1       3.662  -1.097   1.950  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.850  -3.680  -0.310  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.495  -2.699  -1.650  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.238   2.270   0.797  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.038   3.866   1.558  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.379   3.567  -0.068  1.00  0.00           H  
HETATM   47  H   UNL     1       7.505   1.953   2.837  1.00  0.00           H  
HETATM   48  H   UNL     1       9.244   3.480   2.000  1.00  0.00           H  
HETATM   49  H   UNL     1       9.449   3.929  -0.406  1.00  0.00           H  
HETATM   50  H   UNL     1       7.918   2.856  -2.007  1.00  0.00           H  
HETATM   51  H   UNL     1       1.355  -1.349  -2.410  1.00  0.00           H  
HETATM   52  H   UNL     1       4.084  -0.212  -2.901  1.00  0.00           H  
HETATM   53  H   UNL     1       0.126  -0.966   2.136  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.514   0.018   0.796  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.806  -2.427   2.093  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.424  -0.756   2.076  1.00  0.00           H  
HETATM   57  H   UNL     1       0.058  -2.908  -1.588  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.561  -1.236  -1.608  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.558  -0.817   1.892  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.719   0.568   1.154  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.813  -1.321   1.092  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.795   3.336  -2.323  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.076   1.732  -3.043  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.447   2.831  -2.755  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.470   0.803   2.339  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.611   2.101   1.475  1.00  0.00           H  
CONECT    1   10    2    2   41                                       
CONECT    2    1    1    8   19                                       
CONECT    3   29   28   42   43                                       
CONECT    4   28   31   30   30                                       
CONECT    5   32   35   34   34                                       
CONECT    6   40   44   45   46                                       
CONECT    7    8    8                                                 
CONECT    8    2   25    9    9                                       
CONECT    8    7    7                                                 
CONECT    9    8    8                                                 
CONECT   10   22   22   11    1                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   18   18   14   11                                       
CONECT   14   15   15   13   47                                       
CONECT   15   16   14   14   48                                       
CONECT   16   17   17   15   49                                       
CONECT   17   18   16   16   50                                       
CONECT   18   23   17   13   13                                       
CONECT   19    2   20   21   21                                       
CONECT   20   19   51                                                 
CONECT   21   19   19   22   52                                       
CONECT   22   23   10   10   21                                       
CONECT   23   24   24   18   22                                       
CONECT   24   23   23                                                 
CONECT   25    8   29   26                                            
CONECT   26   27   25   53   54                                       
CONECT   27   28   26   55   56                                       
CONECT   28    3    4   27                                            
CONECT   29   25    3   57   58                                       
CONECT   30    4    4                                                 
CONECT   31    4   32   59   60                                       
CONECT   32   31   33    5   37                                       
CONECT   33   32   61                                                 
CONECT   34    5    5                                                 
CONECT   35    5   36                                                 
CONECT   36   35   62   63   64                                       
CONECT   37   32   38   65   66                                       
CONECT   38   37   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38    6                                                 
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
