RESIDUE   WXA     41
CONECT      C10    4 C11  N09  H101 H102
CONECT      C11    4 C10  C12  H111 H112
CONECT      C12    4 C11  C13  H121 H122
CONECT      C13    4 C12  C18  S14  H131
CONECT      C15    4 S14  H151 H153 H152
CONECT      C18    4 C13  N09  H182 H181
CONECT      C01    4 C02  H012 H013 H011
CONECT      C02    4 C01  C03  H022 H021
CONECT      C03    3 C02  C04  C07 
CONECT      C04    3 C03  N05  H041
CONECT      C06    3 C07  N05  N21 
CONECT      C07    3 C03  C06  C08 
CONECT      C08    3 C07  N09  N19 
CONECT      C20    3 N19  N21  H201
CONECT      N05    3 C04  C06  H051
CONECT      N09    3 C10  C18  C08 
CONECT      N19    2 C08  C20 
CONECT      N21    2 C06  C20 
CONECT      O16    1 S14 
CONECT      O17    1 S14 
CONECT      S14    4 C13  C15  O16  O17 
CONECT      H101   1 C10 
CONECT      H102   1 C10 
CONECT      H111   1 C11 
CONECT      H112   1 C11 
CONECT      H121   1 C12 
CONECT      H122   1 C12 
CONECT      H131   1 C13 
CONECT      H151   1 C15 
CONECT      H153   1 C15 
CONECT      H152   1 C15 
CONECT      H182   1 C18 
CONECT      H181   1 C18 
CONECT      H012   1 C01 
CONECT      H013   1 C01 
CONECT      H011   1 C01 
CONECT      H022   1 C02 
CONECT      H021   1 C02 
CONECT      H041   1 C04 
CONECT      H201   1 C20 
CONECT      H051   1 N05 
END   
HET    WXA             41
HETNAM     WXA 5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-py
HETNAM   2 WXA rrolo[2,3-d]pyrimidine
FORMUL      WXA    C14 H20 N4 O2 S