COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.244  -0.491  -0.573  1.00  0.00           C  
HETATM    2  CA  UNL     1      -5.470  -0.254  -0.024  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.090  -0.574   1.611  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.954  -0.981   0.341  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.167   0.331   0.335  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.715   0.018  -0.761  1.00  0.00           C  
HETATM    7  C   UNL     1       8.468  -1.150  -0.408  1.00  0.00           C  
HETATM    8  C   UNL     1       7.328  -0.136  -0.291  1.00  0.00           C  
HETATM    9  C   UNL     1       4.872  -0.137  -0.107  1.00  0.00           C  
HETATM   10  C   UNL     1       3.594   1.684   0.045  1.00  0.00           C  
HETATM   11  C   UNL     1       2.586   0.761   0.082  1.00  0.00           C  
HETATM   12  C   UNL     1       1.157   1.051   0.196  1.00  0.00           C  
HETATM   13  N   UNL     1       6.049  -0.846  -0.218  1.00  0.00           N  
HETATM   14  N   UNL     1       4.790   1.162  -0.060  1.00  0.00           N  
HETATM   15  N   UNL     1       0.264   0.041   0.221  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.386  -0.691   0.455  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.333  -0.314   1.326  1.00  0.00           N  
HETATM   18  O   UNL     1       0.773   2.204   0.267  1.00  0.00           O  
HETATM   19  OXT UNL     1      -7.863   0.236  -0.088  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.709   0.045  -1.976  1.00  0.00           O  
HETATM   21  S   UNL     1       3.316  -0.839  -0.020  1.00  0.00           S  
HETATM   22  H   UNL     1      -4.004  -0.519  -1.625  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.684  -0.681   2.606  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.766  -1.522  -0.586  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.638  -1.590   1.188  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.483   0.940  -0.512  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.355   0.872   1.262  1.00  0.00           H  
HETATM   28  H   UNL     1       8.332  -1.747  -1.310  1.00  0.00           H  
HETATM   29  H   UNL     1       9.420  -0.621  -0.463  1.00  0.00           H  
HETATM   30  H   UNL     1       8.465  -1.803   0.464  1.00  0.00           H  
HETATM   31  H   UNL     1       7.464   0.461   0.610  1.00  0.00           H  
HETATM   32  H   UNL     1       7.331   0.517  -1.164  1.00  0.00           H  
HETATM   33  H   UNL     1       3.419   2.748   0.091  1.00  0.00           H  
HETATM   34  H   UNL     1       6.030  -1.816  -0.247  1.00  0.00           H  
HETATM   35  H   UNL     1       0.570  -0.878   0.164  1.00  0.00           H  
HETATM   36  HXT UNL     1      -8.655   0.410  -0.615  1.00  0.00           H  
CONECT    1    2    2   16   22                                       
CONECT    2    6    1    1   17                                       
CONECT    3   16   17   17   23                                       
CONECT    4   16    5   24   25                                       
CONECT    5    4   15   26   27                                       
CONECT    6   20   20   19    2                                       
CONECT    7    8   28   29   30                                       
CONECT    8   13    7   31   32                                       
CONECT    9   21   14   14   13                                       
CONECT   10   11   11   14   33                                       
CONECT   11   12   21   10   10                                       
CONECT   12   18   18   15   11                                       
CONECT   13    9    8   34                                            
CONECT   14   10    9    9                                            
CONECT   15    5   12   35                                            
CONECT   16    1    4    3                                            
CONECT   17    2    3    3                                            
CONECT   18   12   12                                                 
CONECT   19    6   36                                                 
CONECT   20    6    6                                                 
CONECT   21   11    9                                                 
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
