COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.580  -1.228  -5.206  1.00  0.00           O  
HETATM    2  OXT UNL     1      -0.893  -1.806  -3.901  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.230   0.587  -3.000  1.00  0.00           N  
HETATM    4  CA  UNL     1      -1.363   0.502  -3.933  1.00  0.00           C  
HETATM    5  CB  UNL     1      -1.002   1.352  -5.170  1.00  0.00           C  
HETATM    6  CG  UNL     1       0.079   2.322  -4.624  1.00  0.00           C  
HETATM    7  CD  UNL     1       0.823   1.417  -3.610  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.594  -0.928  -4.345  1.00  0.00           C  
HETATM    9  H   UNL     1      -2.728  -2.146  -5.470  1.00  0.00           H  
HETATM   10  HA  UNL     1      -2.259   0.901  -3.458  1.00  0.00           H  
HETATM   11  HB1 UNL     1      -1.871   1.906  -5.527  1.00  0.00           H  
HETATM   12  HB2 UNL     1      -0.593   0.723  -5.960  1.00  0.00           H  
HETATM   13  HG1 UNL     1      -0.377   3.176  -4.124  1.00  0.00           H  
HETATM   14  HG2 UNL     1       0.748   2.649  -5.420  1.00  0.00           H  
HETATM   15  HD1 UNL     1       1.315   2.025  -2.850  1.00  0.00           H  
HETATM   16  HD2 UNL     1       1.551   0.789  -4.124  1.00  0.00           H  
HETATM   17  O   UNL     1      -1.096  -0.664  -1.386  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.164   0.000  -1.789  1.00  0.00           C  
HETATM   19  CA  UNL     1       1.066   0.166  -0.936  1.00  0.00           C  
HETATM   20  CB  UNL     1       2.282  -0.385  -1.682  1.00  0.00           C  
HETATM   21  HA  UNL     1       1.219   1.224  -0.723  1.00  0.00           H  
HETATM   22  HB1 UNL     1       2.129  -1.443  -1.894  1.00  0.00           H  
HETATM   23  HB2 UNL     1       2.412   0.158  -2.617  1.00  0.00           H  
HETATM   24  HB3 UNL     1       3.173  -0.264  -1.065  1.00  0.00           H  
HETATM   25  N   UNL     1       0.891  -0.565   0.325  1.00  0.00           N  
HETATM   26  C   UNL     1       3.069  -0.392   1.388  1.00  0.00           C  
HETATM   27  CA  UNL     1       1.666   0.155   1.343  1.00  0.00           C  
HETATM   28  O   UNL     1       3.298  -1.678   1.078  1.00  0.00           O  
HETATM   29  OXT UNL     1       3.988   0.326   1.702  1.00  0.00           O  
HETATM   30  C   UNL     1       1.004  -0.025   2.710  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.420   0.530   2.665  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.072   0.352   4.012  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.963   1.344   4.969  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.561   1.181   6.205  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.268   0.026   6.483  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.378  -0.964   5.525  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.784  -0.799   4.288  1.00  0.00           C  
HETATM   38  H   UNL     1      -0.080  -0.474   0.581  1.00  0.00           H  
HETATM   39  H   UNL     1       4.198  -2.029   1.107  1.00  0.00           H  
HETATM   40  HA  UNL     1       1.697   1.215   1.092  1.00  0.00           H  
HETATM   41  H   UNL     1       0.972  -1.085   2.961  1.00  0.00           H  
HETATM   42  H   UNL     1       1.579   0.510   3.466  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.388   1.591   2.414  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.995  -0.004   1.909  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.410   2.246   4.752  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.475   1.955   6.953  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.735  -0.101   7.448  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.930  -1.866   5.743  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.869  -1.573   3.540  1.00  0.00           H  
CONECT    1    8    9                                                 
CONECT    2    8    8                                                 
CONECT    3   18    4    7                                            
CONECT    4    3    5    8   10                                       
CONECT    5    4    6   11   12                                       
CONECT    6    5    7   13   14                                       
CONECT    7    3    6   15   16                                       
CONECT    8    1    2    2    4                                       
CONECT    9    1                                                      
CONECT   10    4                                                      
CONECT   11    5                                                      
CONECT   12    5                                                      
CONECT   13    6                                                      
CONECT   14    6                                                      
CONECT   15    7                                                      
CONECT   16    7                                                      
CONECT   17   18   18                                                 
CONECT   18   17   17    3   19                                       
CONECT   19   25   18   20   21                                       
CONECT   20   19   22   23   24                                       
CONECT   21   19                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   20                                                      
CONECT   25   19   27   38                                            
CONECT   26   28   29   29   27                                       
CONECT   27   25   26   30   40                                       
CONECT   28   26   39                                                 
CONECT   29   26   26                                                 
CONECT   30   27   31   41   42                                       
CONECT   31   30   32   43   44                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   45                                       
CONECT   34   33   35   35   46                                       
CONECT   35   34   34   36   47                                       
CONECT   36   35   37   37   48                                       
CONECT   37   32   36   36   49                                       
CONECT   38   25                                                      
CONECT   39   28                                                      
CONECT   40   27                                                      
CONECT   41   30                                                      
CONECT   42   30                                                      
CONECT   43   31                                                      
CONECT   44   31                                                      
CONECT   45   33                                                      
CONECT   46   34                                                      
CONECT   47   35                                                      
CONECT   48   36                                                      
CONECT   49   37                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
