RESIDUE   A1IAG     39
CONECT      C11    3 C12  C10  S19 
CONECT      C12    3 C11  C13  C18 
CONECT      C13    3 C12  C14  H131
CONECT      C21    3 C22  C20  H211
CONECT      C22    3 C21  C24  O23 
CONECT      C24    3 C22  C25  H241
CONECT      C25    3 C24  C26  H251
CONECT      C26    3 C25  C10  C20 
CONECT      C15    3 C17  C14  O16 
CONECT      C17    3 C15  C18  H171
CONECT      C02    3 C03  C10  O01 
CONECT      C03    3 C02  C04  C09 
CONECT      C04    3 C03  C05  H041
CONECT      C05    3 C04  C06  H051
CONECT      C06    3 C05  C07  H061
CONECT      C07    3 C06  C09  BR1 
CONECT      C09    3 C03  C07  H091
CONECT      C10    3 C11  C26  C02 
CONECT      C14    3 C13  C15  H141
CONECT      C18    3 C12  C17  H181
CONECT      C20    3 C21  C26  S19 
CONECT      O01    1 C02 
CONECT      O16    2 C15  H161
CONECT      O23    2 C22  H231
CONECT      S19    2 C11  C20 
CONECT      BR1    1 C07 
CONECT      H131   1 C13 
CONECT      H211   1 C21 
CONECT      H241   1 C24 
CONECT      H251   1 C25 
CONECT      H171   1 C17 
CONECT      H041   1 C04 
CONECT      H051   1 C05 
CONECT      H061   1 C06 
CONECT      H091   1 C09 
CONECT      H141   1 C14 
CONECT      H181   1 C18 
CONECT      H161   1 O16 
CONECT      H231   1 O23 
END   
HET    A1IAG             39
HETSYN     A1IAG (3-Bromophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]th
HETSYN   2 A1IAG iophen-3-yl]methanone
HETNAM     A1IAG (3-bromophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzo
HETNAM   2 A1IAG thiophen-3-yl]methanone
FORMUL      A1IAG    C21 H13 Br O3 S