COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.142   2.889  -0.999  1.00  0.00           C  
HETATM    2  C   UNL     1       7.551   1.553  -0.628  1.00  0.00           C  
HETATM    3  O   UNL     1       8.262   0.573  -0.561  1.00  0.00           O  
HETATM    4  N   UNL     1       6.232   1.447  -0.372  1.00  0.00           N  
HETATM    5  C   UNL     1       5.658   0.149  -0.012  1.00  0.00           C  
HETATM    6  C   UNL     1       5.819  -0.080   1.492  1.00  0.00           C  
HETATM    7  C   UNL     1       4.194   0.131  -0.369  1.00  0.00           C  
HETATM    8  O   UNL     1       3.680   1.106  -0.874  1.00  0.00           O  
HETATM    9  N   UNL     1       3.454  -0.970  -0.126  1.00  0.00           N  
HETATM   10  C   UNL     1       3.946  -2.217   0.487  1.00  0.00           C  
HETATM   11  C   UNL     1       2.970  -3.314  -0.007  1.00  0.00           C  
HETATM   12  O   UNL     1       3.309  -3.746  -1.326  1.00  0.00           O  
HETATM   13  C   UNL     1       1.618  -2.552  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1       2.023  -1.123  -0.423  1.00  0.00           C  
HETATM   15  C   UNL     1       1.226  -0.111   0.360  1.00  0.00           C  
HETATM   16  S   UNL     1       1.973   0.916   1.332  1.00  0.00           S  
HETATM   17  N   UNL     1      -0.116  -0.071   0.240  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.890   0.913   1.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.355   0.748   0.690  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.129  -0.109   1.453  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.471  -0.264   1.173  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.923   1.458  -0.354  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.264   1.312  -0.643  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.048   0.445   0.119  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.486   0.283  -0.186  1.00  0.00           C  
HETATM   26  S   UNL     1      -7.639   1.583  -0.476  1.00  0.00           S  
HETATM   27  C   UNL     1      -8.887   0.438  -0.709  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.428  -0.761  -0.571  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.149  -0.889  -0.297  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.480  -2.227  -0.118  1.00  0.00           C  
HETATM   31  H   UNL     1       9.213   2.779  -1.168  1.00  0.00           H  
HETATM   32  H   UNL     1       7.666   3.257  -1.909  1.00  0.00           H  
HETATM   33  H   UNL     1       7.973   3.599  -0.189  1.00  0.00           H  
HETATM   34  H   UNL     1       5.663   2.231  -0.427  1.00  0.00           H  
HETATM   35  H   UNL     1       6.174  -0.641  -0.557  1.00  0.00           H  
HETATM   36  H   UNL     1       6.878  -0.067   1.750  1.00  0.00           H  
HETATM   37  H   UNL     1       5.302   0.709   2.037  1.00  0.00           H  
HETATM   38  H   UNL     1       5.391  -1.046   1.760  1.00  0.00           H  
HETATM   39  H   UNL     1       4.960  -2.432   0.148  1.00  0.00           H  
HETATM   40  H   UNL     1       3.916  -2.144   1.574  1.00  0.00           H  
HETATM   41  H   UNL     1       2.946  -4.156   0.684  1.00  0.00           H  
HETATM   42  H   UNL     1       4.189  -4.141  -1.396  1.00  0.00           H  
HETATM   43  H   UNL     1       0.927  -2.988  -0.724  1.00  0.00           H  
HETATM   44  H   UNL     1       1.180  -2.550   0.996  1.00  0.00           H  
HETATM   45  H   UNL     1       1.849  -0.987  -1.490  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.569  -0.694  -0.350  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.725   0.759   2.067  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.571   1.918   0.724  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.681  -0.657   2.268  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.074  -0.934   1.769  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.314   2.128  -0.943  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.705   1.866  -1.457  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.914   0.683  -0.938  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.452  -2.480   0.942  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.042  -2.989  -0.658  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.463  -2.181  -0.507  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   34                                            
CONECT    5    4    6    7   35                                       
CONECT    6    5   36   37   38                                       
CONECT    7    5    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   14                                            
CONECT   10    9   11   39   40                                       
CONECT   11   10   12   13   41                                       
CONECT   12   11   42                                                 
CONECT   13   11   14   43   44                                       
CONECT   14    9   15   13   45                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   46                                            
CONECT   18   17   19   47   48                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   49                                       
CONECT   21   20   24   24   50                                       
CONECT   22   19   23   23   51                                       
CONECT   23   22   22   24   52                                       
CONECT   24   21   21   23   25                                       
CONECT   25   24   26   29   29                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   53                                       
CONECT   28   29   27   27                                            
CONECT   29   25   25   30   28                                       
CONECT   30   29   54   55   56                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
