COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.146  -2.213  -1.569  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.490  -0.904  -0.345  1.00  0.00           N  
HETATM    3  CA  UNL     1       0.684  -0.823  -1.217  1.00  0.00           C  
HETATM    4  C   UNL     1       1.808  -0.080  -0.491  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.042  -3.664   0.361  1.00  0.00           C  
HETATM    6  C   UNL     1       5.029  -1.450   1.355  1.00  0.00           C  
HETATM    7  C   UNL     1       4.185   0.827   2.015  1.00  0.00           C  
HETATM    8  O   UNL     1       3.591   2.405  -0.736  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.854  -1.091  -2.089  1.00  0.00           O  
HETATM   10  OXT UNL     1       5.659   2.130  -0.007  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.311   4.143  -0.235  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.189   3.344  -0.109  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.575   3.593  -0.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.324   1.992   0.129  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.722   2.243   0.128  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.661  -0.607   1.237  1.00  0.00           N  
HETATM   17  N   UNL     1       3.074  -0.122  -1.275  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.524  -1.805   1.260  1.00  0.00           O  
HETATM   19  S   UNL     1       2.315  -0.973   1.037  1.00  0.00           S  
HETATM   20  C   UNL     1       4.470   1.647  -0.399  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.719  -1.038  -0.881  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.486  -2.234   0.540  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.595   1.431   0.244  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.747  -0.021   0.505  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.900  -1.120  -0.005  1.00  0.00           C  
HETATM   26  CA  UNL     1       4.230   0.159  -0.419  1.00  0.00           C  
HETATM   27  C   UNL     1       4.036  -0.333   1.028  1.00  0.00           C  
HETATM   28  O   UNL     1       0.556  -3.173  -1.135  1.00  0.00           O  
HETATM   29  H   UNL     1       2.003  -2.351  -2.211  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.383  -0.862   0.618  1.00  0.00           H  
HETATM   31  HA  UNL     1       0.423  -0.285  -2.129  1.00  0.00           H  
HETATM   32  H   UNL     1       1.517   0.947  -0.268  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.708  -4.323   0.918  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.075  -3.924  -0.697  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.024  -3.777   0.733  1.00  0.00           H  
HETATM   36  H   UNL     1       4.925  -2.253   0.625  1.00  0.00           H  
HETATM   37  H   UNL     1       6.045  -1.056   1.319  1.00  0.00           H  
HETATM   38  H   UNL     1       4.824  -1.838   2.353  1.00  0.00           H  
HETATM   39  H   UNL     1       3.967   0.476   3.024  1.00  0.00           H  
HETATM   40  H   UNL     1       5.205   1.209   1.976  1.00  0.00           H  
HETATM   41  H   UNL     1       3.488   1.622   1.749  1.00  0.00           H  
HETATM   42  HXT UNL     1       5.766   3.091  -0.011  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.200   5.201  -0.422  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.204   3.780  -0.199  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.447   4.221  -0.214  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.447   1.369   0.226  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.709   1.814   0.216  1.00  0.00           H  
HETATM   48  H   UNL     1       3.179  -1.009  -1.745  1.00  0.00           H  
HETATM   49  HA  UNL     1       5.107  -0.332  -0.840  1.00  0.00           H  
CONECT    1    3   28   28   29                                       
CONECT    2   21    3   30                                            
CONECT    3    2    1    4   31                                       
CONECT    4    3   19   17   32                                       
CONECT    5   22   33   34   35                                       
CONECT    6   27   36   37   38                                       
CONECT    7   27   39   40   41                                       
CONECT    8   20   20                                                 
CONECT    9   21   21                                                 
CONECT   10   20   42                                                 
CONECT   11   13   13   12   43                                       
CONECT   12   14   14   11   44                                       
CONECT   13   15   11   11   45                                       
CONECT   14   23   12   12   46                                       
CONECT   15   23   23   13   47                                       
CONECT   16   18   24   24                                            
CONECT   17    4   26   48                                            
CONECT   18   22   16                                                 
CONECT   19    4   27                                                 
CONECT   20   26    8    8   10                                       
CONECT   21    9    9   25    2                                       
CONECT   22    5   18   25   25                                       
CONECT   23   24   15   15   14                                       
CONECT   24   16   16   25   23                                       
CONECT   25   22   22   21   24                                       
CONECT   26   17   27   20   49                                       
CONECT   27   19   26    6    7                                       
CONECT   28    1    1                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
