RESIDUE   A1BY1     41
CONECT      C21    3 C27  C22  N16 
CONECT      C10    3 C11  C09  H101
CONECT      C11    3 C10  C12  H111
CONECT      C12    3 C11  C13  H121
CONECT      C13    3 C12  C08  H131
CONECT      C14    3 C03  N16  O15 
CONECT      C23    3 C22  C24  H231
CONECT      C26    3 C27  C24  H261
CONECT      C27    3 C21  C26  H271
CONECT      C18    4 C17  C19  H181 H182
CONECT      C02    3 C03  C22  O01 
CONECT      C03    3 C14  C02  C04 
CONECT      C04    3 C03  C05  C09 
CONECT      C05    3 C04  N06  H051
CONECT      C07    3 C08  N06  H071
CONECT      C08    3 C13  C07  C09 
CONECT      C09    3 C10  C04  C08 
CONECT      C17    4 C18  N16  H171 H172
CONECT      C19    2 C18  N20 
CONECT      C22    3 C21  C23  C02 
CONECT      C24    3 C23  C26  BR25
CONECT      N06    2 C05  C07 
CONECT      N16    3 C21  C14  C17 
CONECT      N20    1 C19 
CONECT      O01    1 C02 
CONECT      O15    2 C14  H151
CONECT      BR25   1 C24 
CONECT      H101   1 C10 
CONECT      H111   1 C11 
CONECT      H121   1 C12 
CONECT      H131   1 C13 
CONECT      H231   1 C23 
CONECT      H261   1 C26 
CONECT      H271   1 C27 
CONECT      H181   1 C18 
CONECT      H182   1 C18 
CONECT      H051   1 C05 
CONECT      H071   1 C07 
CONECT      H171   1 C17 
CONECT      H172   1 C17 
CONECT      H151   1 O15 
END   
HET    A1BY1             41
HETNAM     A1BY1 3-[(3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)-4-oxoqui
HETNAM   2 A1BY1 nolin-1(4H)-yl]propanenitrile
FORMUL      A1BY1    C21 H14 Br N3 O2