RESIDUE A1IRS 67 CONECT C02 3 C27 N03 O01 CONECT C04 4 C05 C10 N03 H041 CONECT C05 4 C04 C06 H052 H051 CONECT C06 4 C05 C07 H061 H062 CONECT C07 4 C06 C08 H071 H072 CONECT C08 4 C07 N09 H081 H082 CONECT C10 3 C04 N11 O26 CONECT C12 4 C13 C16 N11 H121 CONECT C13 3 C12 O14 O15 CONECT C16 4 C12 C17 H162 H161 CONECT C17 3 C16 C18 C21 CONECT C18 3 C17 N19 H181 CONECT C20 3 C21 C25 N19 CONECT C21 3 C17 C20 C22 CONECT C22 3 C21 C23 H221 CONECT C23 3 C22 C24 H231 CONECT C24 3 C23 C25 H241 CONECT C25 3 C20 C24 H251 CONECT C27 4 C02 C29 S28 H271 CONECT C29 4 C27 C30 H291 H292 CONECT C30 3 C29 C31 C35 CONECT C31 3 C30 C32 H311 CONECT C32 3 C31 C33 H321 CONECT C33 3 C32 C34 H331 CONECT C34 3 C33 C35 H341 CONECT C35 3 C30 C34 H351 CONECT N03 3 C02 C04 H031 CONECT N09 3 C08 H092 H091 CONECT N11 3 C10 C12 H111 CONECT N19 3 C18 C20 H191 CONECT O01 1 C02 CONECT O14 1 C13 CONECT O15 2 C13 H2 CONECT O26 1 C10 CONECT S28 2 C27 H281 CONECT H041 1 C04 CONECT H052 1 C05 CONECT H051 1 C05 CONECT H061 1 C06 CONECT H062 1 C06 CONECT H071 1 C07 CONECT H072 1 C07 CONECT H081 1 C08 CONECT H082 1 C08 CONECT H121 1 C12 CONECT H162 1 C16 CONECT H161 1 C16 CONECT H181 1 C18 CONECT H221 1 C22 CONECT H231 1 C23 CONECT H241 1 C24 CONECT H251 1 C25 CONECT H271 1 C27 CONECT H291 1 C29 CONECT H292 1 C29 CONECT H311 1 C31 CONECT H321 1 C32 CONECT H331 1 C33 CONECT H341 1 C34 CONECT H351 1 C35 CONECT H031 1 N03 CONECT H092 1 N09 CONECT H091 1 N09 CONECT H111 1 N11 CONECT H191 1 N19 CONECT H2 1 O15 CONECT H281 1 S28 END HET A1IRS 67 HETNAM A1IRS (2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sul HETNAM 2 A1IRS fanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3- HETNAM 3 A1IRS yl)propanoic acid FORMUL A1IRS C26 H32 N4 O4 S