COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.925  -1.783  -1.826  1.00  0.00           N  
HETATM    2  CA  UNL     1       4.709  -1.751  -0.373  1.00  0.00           C  
HETATM    3  C   UNL     1       5.656  -2.712   0.297  1.00  0.00           C  
HETATM    4  O   UNL     1       6.165  -3.603  -0.342  1.00  0.00           O  
HETATM    5  CB  UNL     1       3.267  -2.157  -0.063  1.00  0.00           C  
HETATM    6  OG  UNL     1       2.356  -1.166  -0.608  1.00  0.00           O  
HETATM    7  OXT UNL     1       5.936  -2.579   1.603  1.00  0.00           O  
HETATM    8  S   UNL     1       0.183   0.867   1.483  1.00  0.00           S  
HETATM    9  C   UNL     1       0.639   2.557   1.974  1.00  0.00           C  
HETATM   10  C   UNL     1       1.837   3.000   1.185  1.00  0.00           C  
HETATM   11  C   UNL     1       2.660   4.126   1.757  1.00  0.00           C  
HETATM   12  CA  UNL     1       2.231   2.492   0.040  1.00  0.00           C  
HETATM   13  C   UNL     1       3.429   3.098  -0.568  1.00  0.00           C  
HETATM   14  O   UNL     1       3.934   4.083  -0.066  1.00  0.00           O  
HETATM   15  OXT UNL     1       3.966   2.559  -1.681  1.00  0.00           O  
HETATM   16  N   UNL     1       1.644   1.447  -0.661  1.00  0.00           N  
HETATM   17  C   UNL     1       0.287   0.984  -0.333  1.00  0.00           C  
HETATM   18  C   UNL     1       0.039  -0.390  -0.959  1.00  0.00           C  
HETATM   19  C   UNL     1       1.044  -1.376  -0.421  1.00  0.00           C  
HETATM   20  O   UNL     1       0.668  -2.355   0.179  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.314  -0.841  -0.626  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.360  -0.451  -1.382  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.180   0.274  -2.338  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.752  -0.915  -1.040  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.617  -0.779  -2.220  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.683   0.613  -2.664  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.510   0.818  -3.811  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.308  -0.061   0.101  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.727  -0.540   0.444  1.00  0.00           C  
HETATM   30  S   UNL     1      -5.593  -1.026   2.195  1.00  0.00           S  
HETATM   31  C   UNL     1      -3.881  -0.619   2.359  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.141  -0.765   3.509  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.429  -0.167   1.244  1.00  0.00           N  
HETATM   34  H1  UNL     1       5.850  -1.457  -2.061  1.00  0.00           H  
HETATM   35  H2  UNL     1       4.762  -2.708  -2.195  1.00  0.00           H  
HETATM   36  HA  UNL     1       4.890  -0.743  -0.001  1.00  0.00           H  
HETATM   37  HXT UNL     1       6.549  -3.219   1.988  1.00  0.00           H  
HETATM   38  HB1 UNL     1       3.058  -3.128  -0.512  1.00  0.00           H  
HETATM   39  HB2 UNL     1       3.131  -2.220   1.017  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.196   3.231   1.776  1.00  0.00           H  
HETATM   41  H   UNL     1       0.876   2.576   3.037  1.00  0.00           H  
HETATM   42  H   UNL     1       2.224   4.451   2.702  1.00  0.00           H  
HETATM   43  H   UNL     1       3.680   3.781   1.927  1.00  0.00           H  
HETATM   44  H   UNL     1       2.671   4.960   1.056  1.00  0.00           H  
HETATM   45  HXT UNL     1       4.751   2.991  -2.043  1.00  0.00           H  
HETATM   46  H   UNL     1       2.136   1.016  -1.378  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.448   1.699  -0.701  1.00  0.00           H  
HETATM   48  H   UNL     1       0.143  -0.319  -2.042  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.458  -1.420   0.138  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.721  -1.959  -0.730  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.308  -1.383  -2.966  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.529   0.505  -3.585  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.506   1.875  -4.078  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.126   0.232  -4.646  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.350   0.980  -0.220  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.446   0.270   0.323  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.003  -1.396  -0.172  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.558  -1.114   4.313  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.203  -0.518   3.518  1.00  0.00           H  
CONECT    1    2   34   35                                            
CONECT    2    1    3    5   36                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   38   39                                       
CONECT    6    5   19                                                 
CONECT    7    3   37                                                 
CONECT    8   17    9                                                 
CONECT    9    8   10   40   41                                       
CONECT   10    9   12   12   11                                       
CONECT   11   10   42   43   44                                       
CONECT   12   10   10   16   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   45                                                 
CONECT   16   12   17   46                                            
CONECT   17    8   16   18   47                                       
CONECT   18   17   19   21   48                                       
CONECT   19    6   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   49                                            
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   28   50                                       
CONECT   25   24   26   51                                            
CONECT   26   25   27                                                 
CONECT   27   26   52   53   54                                       
CONECT   28   24   33   29   55                                       
CONECT   29   28   30   56   57                                       
CONECT   30   29   31                                                 
CONECT   31   30   33   33   32                                       
CONECT   32   31   58   59                                            
CONECT   33   28   31   31                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    7                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
