RESIDUE   A1EP2     48
CONECT      C4     4 C5   C3   H1   H2  
CONECT      C5     4 C4   C6   H3   H4  
CONECT      C6     4 C5   C7   H5   H6  
CONECT      C7     3 C6   N8   S14 
CONECT      C15    4 S14  C16  O20  H7  
CONECT      C17    4 C16  C18  O24  H8  
CONECT      C21    4 C19  O22  H9   H10 
CONECT      C1     4 S2   H11  H12  H13 
CONECT      S2     2 C1   C3  
CONECT      C3     4 C4   S2   H14  H15 
CONECT      N8     2 C7   O9  
CONECT      O9     2 N8   S10 
CONECT      S10    4 O9   O11  O12  O13 
CONECT      O11    1 S10 
CONECT      O12    2 S10  H23 
CONECT      O13    1 S10 
CONECT      S14    2 C7   C15 
CONECT      C16    4 C15  C17  O25  H16 
CONECT      C18    4 C17  C19  O23  H17 
CONECT      C19    4 C21  C18  O20  H18 
CONECT      O20    2 C15  C19 
CONECT      O22    2 C21  H19 
CONECT      O23    2 C18  H20 
CONECT      O24    2 C17  H21 
CONECT      O25    2 C16  H22 
CONECT      H1     1 C4  
CONECT      H2     1 C4  
CONECT      H3     1 C5  
CONECT      H4     1 C5  
CONECT      H5     1 C6  
CONECT      H6     1 C6  
CONECT      H7     1 C15 
CONECT      H8     1 C17 
CONECT      H9     1 C21 
CONECT      H10    1 C21 
CONECT      H11    1 C1  
CONECT      H12    1 C1  
CONECT      H13    1 C1  
CONECT      H14    1 C3  
CONECT      H15    1 C3  
CONECT      H16    1 C16 
CONECT      H17    1 C18 
CONECT      H18    1 C19 
CONECT      H19    1 O22 
CONECT      H20    1 O23 
CONECT      H21    1 O24 
CONECT      H22    1 O25 
CONECT      H23    1 O12 
END   
HET    A1EP2             48
HETSYN     A1EP2 4-Methylthiobutyl glucosinolate
HETNAM     A1EP2 [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,
HETNAM   2 A1EP2 5-tris(oxidanyl)oxan-2-yl] (1~{Z})-5-methylsulfanyl-~{N
HETNAM   3 A1EP2 }-sulfooxy-pentanimidothioate
FORMUL      A1EP2    C12 H23 N O9 S3