RESIDUE 3LX 40 CONECT C1 3 S1 C2 H1 CONECT S1 1 C1 CONECT C2 4 C1 C3 H2 H3 CONECT C3 4 C2 C4 H4 H5 CONECT C4 4 C3 C5 H6 H7 CONECT C5 4 C4 C6 H8 H9 CONECT C6 4 C5 C7 H10 H11 CONECT C7 4 C6 C8 H12 H13 CONECT C8 4 C7 C9 H14 H15 CONECT C9 4 C8 C10 H16 H17 CONECT C10 4 C9 C11 H18 H19 CONECT C11 4 C10 C12 H20 H21 CONECT C12 4 C11 C13 H22 H23 CONECT C13 4 C12 H24 H25 H26 CONECT H1 1 C1 CONECT H2 1 C2 CONECT H3 1 C2 CONECT H4 1 C3 CONECT H5 1 C3 CONECT H6 1 C4 CONECT H7 1 C4 CONECT H8 1 C5 CONECT H9 1 C5 CONECT H10 1 C6 CONECT H11 1 C6 CONECT H12 1 C7 CONECT H13 1 C7 CONECT H14 1 C8 CONECT H15 1 C8 CONECT H16 1 C9 CONECT H17 1 C9 CONECT H18 1 C10 CONECT H19 1 C10 CONECT H20 1 C11 CONECT H21 1 C11 CONECT H22 1 C12 CONECT H23 1 C12 CONECT H24 1 C13 CONECT H25 1 C13 CONECT H26 1 C13 END HET 3LX 40 HETNAM 3LX tridecanethial FORMUL 3LX C13 H26 S1