COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.260   1.763  -2.034  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.264   2.322  -1.647  1.00  0.00           O  
HETATM    3  CA  UNL     1       1.146   1.624  -1.489  1.00  0.00           C  
HETATM    4  C   UNL     1       1.484   0.926  -2.807  1.00  0.00           C  
HETATM    5  N   UNL     1       0.035   0.973  -3.116  1.00  0.00           N  
HETATM    6  CA  UNL     1      -0.628  -0.360  -3.144  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.738  -0.316  -4.162  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.848  -1.048  -3.977  1.00  0.00           O  
HETATM    9  OXT UNL     1      -1.629   0.377  -5.145  1.00  0.00           O  
HETATM   10  C   UNL     1       0.362  -1.495  -3.524  1.00  0.00           C  
HETATM   11  C   UNL     1       0.592  -1.559  -5.035  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.091  -2.848  -2.972  1.00  0.00           C  
HETATM   13  S   UNL     1       1.856  -0.864  -2.635  1.00  0.00           S  
HETATM   14  N   UNL     1       1.240   0.750  -0.317  1.00  0.00           N  
HETATM   15  C   UNL     1       1.533   1.271   0.890  1.00  0.00           C  
HETATM   16  O   UNL     1       1.719   2.467   1.008  1.00  0.00           O  
HETATM   17  C   UNL     1       1.628   0.391   2.068  1.00  0.00           C  
HETATM   18  N   UNL     1       1.138  -0.833   3.847  1.00  0.00           N  
HETATM   19  O   UNL     1       2.329  -0.897   3.666  1.00  0.00           O  
HETATM   20  C   UNL     1       2.744  -0.194   2.610  1.00  0.00           C  
HETATM   21  C   UNL     1       0.544  -0.082   2.954  1.00  0.00           C  
HETATM   22  C   UNL     1       4.161  -0.065   2.113  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.901   0.229   2.856  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.812  -0.396   3.707  1.00  0.00           C  
HETATM   25 CL   UNL     1      -1.254  -1.537   4.890  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -3.157  -0.096   3.615  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.602   0.811   2.672  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.704   1.430   1.821  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.357   1.144   1.908  1.00  0.00           C  
HETATM   30  HA  UNL     1       1.659   2.576  -1.351  1.00  0.00           H  
HETATM   31  H   UNL     1       2.146   1.472  -3.480  1.00  0.00           H  
HETATM   32  HA  UNL     1      -1.054  -0.574  -2.164  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.560  -1.019  -4.630  1.00  0.00           H  
HETATM   34  H   UNL     1       1.409  -2.247  -5.250  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.315  -1.909  -5.526  1.00  0.00           H  
HETATM   36  H   UNL     1       0.845  -0.566  -5.406  1.00  0.00           H  
HETATM   37  H   UNL     1       0.702  -3.582  -3.112  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.312  -2.751  -1.909  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.986  -3.174  -3.501  1.00  0.00           H  
HETATM   40  H   UNL     1       1.092  -0.204  -0.411  1.00  0.00           H  
HETATM   41  H   UNL     1       4.825  -0.644   2.755  1.00  0.00           H  
HETATM   42  H   UNL     1       4.224  -0.441   1.092  1.00  0.00           H  
HETATM   43  H   UNL     1       4.459   0.982   2.133  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.863  -0.576   4.276  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.656   1.039   2.600  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.058   2.139   1.087  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.657   1.628   1.243  1.00  0.00           H  
CONECT    1    2    2    3    5                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   14   30                                       
CONECT    4    3    5   13   31                                       
CONECT    5    1    4    6                                            
CONECT    6    5    7   10   32                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   33                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   12   13                                       
CONECT   11   10   34   35   36                                       
CONECT   12   10   37   38   39                                       
CONECT   13    4   10                                                 
CONECT   14    3   15   40                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   20   20   21                                       
CONECT   18   19   21   21                                            
CONECT   19   18   20                                                 
CONECT   20   17   17   19   22                                       
CONECT   21   17   18   18   23                                       
CONECT   22   20   41   42   43                                       
CONECT   23   21   24   24   29                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24                                                      
CONECT   26   24   27   27   44                                       
CONECT   27   26   26   28   45                                       
CONECT   28   27   29   29   46                                       
CONECT   29   23   28   28   47                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
