COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.254  -4.095   1.589  1.00  0.00           C  
HETATM    2  N   UNL     1       4.331  -3.331   0.746  1.00  0.00           N  
HETATM    3  C   UNL     1       3.387  -3.974   0.029  1.00  0.00           C  
HETATM    4  O   UNL     1       3.299  -5.188   0.079  1.00  0.00           O  
HETATM    5  C   UNL     1       2.500  -3.226  -0.781  1.00  0.00           C  
HETATM    6  C   UNL     1       2.620  -1.881  -0.818  1.00  0.00           C  
HETATM    7  N   UNL     1       3.591  -1.266  -0.076  1.00  0.00           N  
HETATM    8  C   UNL     1       3.720   0.192  -0.116  1.00  0.00           C  
HETATM    9  O   UNL     1       2.456   0.818   0.192  1.00  0.00           O  
HETATM   10  C   UNL     1       2.552   2.155  -0.345  1.00  0.00           C  
HETATM   11  C   UNL     1       1.157   2.748  -0.551  1.00  0.00           C  
HETATM   12  O   UNL     1       0.528   2.937   0.718  1.00  0.00           O  
HETATM   13  S   UNL     1      -0.873   3.526   0.633  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.262   3.831   1.966  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.840   4.493  -0.407  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.882   2.318   0.117  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.089   1.235   0.892  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.536   1.145   1.968  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.006   0.136   0.422  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.711  -1.098   1.162  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.460   0.544   0.671  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.381  -0.498   0.091  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.810  -0.387  -1.219  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.654  -1.342  -1.753  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.070  -2.412  -0.974  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.900  -3.352  -1.498  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.638  -2.520   0.339  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.790  -1.566   0.867  1.00  0.00           C  
HETATM   29  C   UNL     1       3.269   1.985  -1.703  1.00  0.00           C  
HETATM   30  O   UNL     1       4.161   3.076  -1.939  1.00  0.00           O  
HETATM   31  C   UNL     1       4.056   0.663  -1.548  1.00  0.00           C  
HETATM   32  O   UNL     1       5.459   0.897  -1.683  1.00  0.00           O  
HETATM   33  C   UNL     1       4.425  -1.989   0.694  1.00  0.00           C  
HETATM   34  O   UNL     1       5.278  -1.422   1.349  1.00  0.00           O  
HETATM   35  H   UNL     1       4.827  -4.208   2.585  1.00  0.00           H  
HETATM   36  H   UNL     1       5.418  -5.078   1.149  1.00  0.00           H  
HETATM   37  H   UNL     1       6.205  -3.565   1.658  1.00  0.00           H  
HETATM   38  H   UNL     1       1.738  -3.723  -1.362  1.00  0.00           H  
HETATM   39  H   UNL     1       1.952  -1.294  -1.431  1.00  0.00           H  
HETATM   40  H   UNL     1       4.488   0.524   0.584  1.00  0.00           H  
HETATM   41  H   UNL     1       3.141   2.789   0.318  1.00  0.00           H  
HETATM   42  H   UNL     1       1.241   3.708  -1.061  1.00  0.00           H  
HETATM   43  H   UNL     1       0.558   2.067  -1.155  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.324   2.390  -0.743  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.854  -0.033  -0.643  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.777  -1.424   0.964  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.845  -0.966   2.153  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.635   0.628   1.743  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.654   1.506   0.195  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.486   0.446  -1.825  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.990  -1.255  -2.776  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.441  -4.092  -1.918  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.961  -3.352   0.947  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.450  -1.653   1.888  1.00  0.00           H  
HETATM   55  H   UNL     1       2.543   1.904  -2.511  1.00  0.00           H  
HETATM   56  H   UNL     1       4.638   3.020  -2.778  1.00  0.00           H  
HETATM   57  H   UNL     1       3.718  -0.070  -2.281  1.00  0.00           H  
HETATM   58  H   UNL     1       5.725   1.196  -2.564  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1   33    3                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6   38                                       
CONECT    6    7    5    5   39                                       
CONECT    7   33    8    6                                            
CONECT    8    7    9   31   40                                       
CONECT    9    8   10                                                 
CONECT   10    9   29   11   41                                       
CONECT   11   10   12   42   43                                       
CONECT   12   11   13                                                 
CONECT   13   12   16   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   44                                            
CONECT   17   16   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   21   17   20   45                                       
CONECT   20   19   46   47                                            
CONECT   21   22   19   48   49                                       
CONECT   22   23   21   28   28                                       
CONECT   23   24   24   22   50                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25   52                                                 
CONECT   27   25   25   28   53                                       
CONECT   28   22   22   27   54                                       
CONECT   29   30   10   31   55                                       
CONECT   30   29   56                                                 
CONECT   31    8   32   29   57                                       
CONECT   32   31   58                                                 
CONECT   33   34   34    2    7                                       
CONECT   34   33   33                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
