RESIDUE 3E2 26 CONECT N1 3 C2 C8 C21 CONECT C2 4 N1 C3 H1 H2 CONECT C3 3 C2 O4 O5 CONECT O4 2 C3 H3 CONECT O5 1 C3 CONECT C8 3 N1 N9 C14 CONECT N9 2 C8 C10 CONECT C10 3 N9 S11 N12 CONECT S11 1 C10 CONECT N12 3 C10 N13 H4 CONECT N13 2 N12 C14 CONECT C14 3 C8 N13 C15 CONECT C15 3 C14 C16 C21 CONECT C16 3 C15 C17 H5 CONECT C17 3 C16 C18 H6 CONECT C18 3 C17 C19 H7 CONECT C19 3 C18 C21 H8 CONECT C21 3 N1 C15 C19 CONECT H1 1 C2 CONECT H2 1 C2 CONECT H3 1 O4 CONECT H5 1 C16 CONECT H6 1 C17 CONECT H7 1 C18 CONECT H8 1 C19 CONECT H4 1 N12 END HET 3E2 26 HETNAM 3E2 (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5- HETNAM 2 3E2 yl)acetic acid FORMUL 3E2 C11 H8 N4 O2 S1