RESIDUE   A1IRR     56
CONECT      C02    3 C22  N03  O01 
CONECT      C04    4 C05  N03  H042 H041
CONECT      C05    3 C04  N06  O21 
CONECT      C07    4 C08  C11  N06  H071
CONECT      C08    3 C07  O09  O10 
CONECT      C11    4 C07  C12  H112 H111
CONECT      C12    4 C11  C13  H122 H121
CONECT      C13    4 C12  C14  N06  H131
CONECT      C14    3 C13  C15  C20 
CONECT      C15    3 C14  C16  H151
CONECT      C16    3 C15  C17  H161
CONECT      C17    3 C16  C18  C19 
CONECT      C18    4 C17  H183 H182 H181
CONECT      C19    3 C17  C20  H191
CONECT      C20    3 C14  C19  H201
CONECT      C22    4 C02  C24  S23  H221
CONECT      C24    4 C22  C25  H242 H241
CONECT      C25    3 C24  C26  C30 
CONECT      C26    3 C25  C27  H261
CONECT      C27    3 C26  C28  H271
CONECT      C28    3 C27  C29  H281
CONECT      C29    3 C28  C30  H291
CONECT      C30    3 C25  C29  H301
CONECT      N03    3 C02  C04  H031
CONECT      N06    3 C05  C07  C13 
CONECT      O01    1 C02 
CONECT      O09    2 C08  H1  
CONECT      O10    1 C08 
CONECT      O21    1 C05 
CONECT      S23    2 C22  H231
CONECT      H042   1 C04 
CONECT      H041   1 C04 
CONECT      H071   1 C07 
CONECT      H112   1 C11 
CONECT      H111   1 C11 
CONECT      H122   1 C12 
CONECT      H121   1 C12 
CONECT      H131   1 C13 
CONECT      H151   1 C15 
CONECT      H161   1 C16 
CONECT      H183   1 C18 
CONECT      H182   1 C18 
CONECT      H181   1 C18 
CONECT      H191   1 C19 
CONECT      H201   1 C20 
CONECT      H221   1 C22 
CONECT      H242   1 C24 
CONECT      H241   1 C24 
CONECT      H261   1 C26 
CONECT      H271   1 C27 
CONECT      H281   1 C28 
CONECT      H291   1 C29 
CONECT      H301   1 C30 
CONECT      H031   1 N03 
CONECT      H1     1 O09 
CONECT      H231   1 S23 
END   
HET    A1IRR             56
HETNAM     A1IRR (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-pheny
HETNAM   2 A1IRR l-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-car
HETNAM   3 A1IRR boxylic acid
FORMUL      A1IRR    C23 H26 N2 O4 S