RESIDUE   A1A72     37
CONECT      N2     2 C3   C4  
CONECT      C3     3 N2   C6   N1  
CONECT      C6     3 C3   C5   C7  
CONECT      C9     4 C10  C2   O2   H2  
CONECT      C12    3 C11  C13  H13 
CONECT      C14    3 C13  C15  H14 
CONECT      C1     4 C2   O1   H4   H5  
CONECT      C10    3 C9   C11  C15 
CONECT      C11    3 C12  C10  H12 
CONECT      C13    3 C12  C14  CL1 
CONECT      C15    3 C14  C10  H15 
CONECT      C2     4 C9   C1   N1   H1  
CONECT      C4     3 N2   N3   H7  
CONECT      C5     3 C6   N3   N4  
CONECT      C7     3 C6   C8   H8  
CONECT      C8     3 C7   N4   H9  
CONECT      N1     3 C3   C2   H6  
CONECT      N3     2 C4   C5  
CONECT      N4     3 C5   C8   H10 
CONECT      O1     2 C1   H3  
CONECT      O2     2 C9   H11 
CONECT      CL1    1 C13 
CONECT      H2     1 C9  
CONECT      H13    1 C12 
CONECT      H14    1 C14 
CONECT      H4     1 C1  
CONECT      H5     1 C1  
CONECT      H12    1 C11 
CONECT      H15    1 C15 
CONECT      H1     1 C2  
CONECT      H7     1 C4  
CONECT      H8     1 C7  
CONECT      H9     1 C8  
CONECT      H6     1 N1  
CONECT      H10    1 N4  
CONECT      H3     1 O1  
CONECT      H11    1 O2  
END   
HET    A1A72             37
HETNAM     A1A72 (1R,2R)-1-(4-chlorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimid
HETNAM   2 A1A72 in-4-yl)amino]propane-1,3-diol
FORMUL      A1A72    C15 H15 Cl N4 O2