COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.130   0.858  -0.985  1.00  0.00           S  
HETATM    2  C   UNL     1      -4.883   0.417  -0.658  1.00  0.00           C  
HETATM    3  CA  UNL     1      -4.781  -0.910   0.118  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.402  -1.393   0.241  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.444  -0.255   0.311  1.00  0.00           C  
HETATM    6  CA  UNL     1      -1.025  -0.705  -0.043  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.010  -1.262  -1.443  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.311  -0.755  -2.287  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.559   1.493   0.195  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.642   0.217  -1.971  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.348  -0.711   1.499  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.677  -0.732   1.689  1.00  0.00           O  
HETATM   13  OXT UNL     1      -4.608  -0.532   2.437  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.115   0.440   0.037  1.00  0.00           N  
HETATM   15  C   UNL     1       1.198   0.242   0.269  1.00  0.00           C  
HETATM   16  O   UNL     1       1.627  -0.887   0.411  1.00  0.00           O  
HETATM   17  C   UNL     1       2.116   1.396   0.350  1.00  0.00           C  
HETATM   18  C   UNL     1       1.629   2.692   0.187  1.00  0.00           C  
HETATM   19  C   UNL     1       2.491   3.768   0.263  1.00  0.00           C  
HETATM   20  C   UNL     1       3.841   3.569   0.500  1.00  0.00           C  
HETATM   21  C   UNL     1       4.341   2.292   0.664  1.00  0.00           C  
HETATM   22  C   UNL     1       3.487   1.195   0.597  1.00  0.00           C  
HETATM   23  C   UNL     1       4.017  -0.175   0.778  1.00  0.00           C  
HETATM   24  C   UNL     1       4.547  -0.564   2.006  1.00  0.00           C  
HETATM   25  C   UNL     1       5.041  -1.843   2.170  1.00  0.00           C  
HETATM   26  C   UNL     1       5.015  -2.746   1.121  1.00  0.00           C  
HETATM   27  C   UNL     1       4.494  -2.379  -0.103  1.00  0.00           C  
HETATM   28  C   UNL     1       3.984  -1.094  -0.287  1.00  0.00           C  
HETATM   29  C   UNL     1       3.420  -0.699  -1.592  1.00  0.00           C  
HETATM   30  O   UNL     1       3.391  -1.582  -2.609  1.00  0.00           O  
HETATM   31  O   UNL     1       2.982   0.424  -1.749  1.00  0.00           O  
HETATM   32  HA  UNL     1      -5.373  -1.666  -0.399  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.302  -2.000   1.041  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.470   0.221   1.292  1.00  0.00           H  
HETATM   35  HA  UNL     1      -0.703  -1.475   0.658  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.624  -2.115  -1.692  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.550   2.441  -0.342  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.589   1.200   0.400  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.019   1.603   1.136  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.161  -0.569  -2.553  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.672  -0.068  -1.755  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.635   1.147  -2.540  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.994  -0.600   2.592  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.457   1.340  -0.076  1.00  0.00           H  
HETATM   45  H   UNL     1       0.578   2.855   0.001  1.00  0.00           H  
HETATM   46  H   UNL     1       2.111   4.770   0.137  1.00  0.00           H  
HETATM   47  H   UNL     1       4.506   4.417   0.558  1.00  0.00           H  
HETATM   48  H   UNL     1       5.395   2.145   0.849  1.00  0.00           H  
HETATM   49  H   UNL     1       4.572   0.135   2.829  1.00  0.00           H  
HETATM   50  H   UNL     1       5.452  -2.141   3.124  1.00  0.00           H  
HETATM   51  H   UNL     1       5.405  -3.743   1.261  1.00  0.00           H  
HETATM   52  H   UNL     1       4.477  -3.089  -0.917  1.00  0.00           H  
HETATM   53  H   UNL     1       3.011  -1.277  -3.444  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1   10    3    9                                       
CONECT    3    2    4   11   32                                       
CONECT    4    3    5   33                                            
CONECT    5    4    1    6   34                                       
CONECT    6    5   14    7   35                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7                                                 
CONECT    9    2   37   38   39                                       
CONECT   10    2   40   41   42                                       
CONECT   11    3   12   13   13                                       
CONECT   12   11   43                                                 
CONECT   13   11   11                                                 
CONECT   14    6   15   44                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   45                                       
CONECT   19   18   20   20   46                                       
CONECT   20   19   19   21   47                                       
CONECT   21   20   22   22   48                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   28   24   24                                       
CONECT   24   23   23   25   49                                       
CONECT   25   24   26   26   50                                       
CONECT   26   25   25   27   51                                       
CONECT   27   26   28   28   52                                       
CONECT   28   23   27   27   29                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   53                                                 
CONECT   31   29   29                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
