RESIDUE   A1A9S     39
CONECT      N2     2 C12  C11 
CONECT      C3     3 C2   C4   H5  
CONECT      C6     3 C5   C7   H8  
CONECT      C9     4 C10  C8   N1   H1  
CONECT      C12    3 N2   N3   H15 
CONECT      C14    3 C11  C13  C15 
CONECT      C1     4 C2   H4   H2   H3  
CONECT      C10    4 C9   O1   H12  H11 
CONECT      C11    3 N2   C14  N1  
CONECT      C13    3 C14  N3   N4  
CONECT      C15    3 C14  C16  H16 
CONECT      C16    3 C15  N4   H17 
CONECT      C2     3 C3   C1   C7  
CONECT      C4     3 C3   C5   H6  
CONECT      C5     3 C6   C4   H7  
CONECT      C7     3 C6   C2   C8  
CONECT      C8     4 C9   C7   H9   H10 
CONECT      N1     3 C9   C11  H14 
CONECT      N3     2 C12  C13 
CONECT      N4     3 C13  C16  H18 
CONECT      O1     2 C10  H13 
CONECT      H5     1 C3  
CONECT      H8     1 C6  
CONECT      H1     1 C9  
CONECT      H15    1 C12 
CONECT      H4     1 C1  
CONECT      H2     1 C1  
CONECT      H3     1 C1  
CONECT      H12    1 C10 
CONECT      H11    1 C10 
CONECT      H16    1 C15 
CONECT      H17    1 C16 
CONECT      H6     1 C4  
CONECT      H7     1 C5  
CONECT      H9     1 C8  
CONECT      H10    1 C8  
CONECT      H14    1 N1  
CONECT      H18    1 N4  
CONECT      H13    1 O1  
END   
HET    A1A9S             39
HETNAM     A1A9S (2R)-3-(2-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-
HETNAM   2 A1A9S 4-yl)amino]propan-1-ol
FORMUL      A1A9S    C16 H18 N4 O