RESIDUE   HJA     46
CONECT      N01    3 C02  H012 H1  
CONECT      C02    4 N01  C03  H021 H022
CONECT      C03    4 C02  N04  C18  H031
CONECT      N04    3 C03  C05  H041
CONECT      C05    3 N04  O06  O07 
CONECT      O06    1 C05 
CONECT      O07    2 C05  C08 
CONECT      C08    4 O07  C09  H082 H081
CONECT      C09    4 C08  C10  H092 H091
CONECT      C18    3 C03  O20  S1  
CONECT      O20    1 C18 
CONECT      C10    4 C09  C11  H101 H102
CONECT      C11    4 C10  C12  H112 H111
CONECT      C12    4 C11  C13  C17  H121
CONECT      C13    4 C12  C14  H132 H131
CONECT      C14    4 C13  C15  H141 H142
CONECT      C15    4 C14  C16  H152 H151
CONECT      C16    4 C15  C17  H161 H162
CONECT      C17    4 C12  C16  H172 H171
CONECT      H012   1 N01 
CONECT      H1     1 N01 
CONECT      H021   1 C02 
CONECT      H022   1 C02 
CONECT      H031   1 C03 
CONECT      H041   1 N04 
CONECT      H082   1 C08 
CONECT      H081   1 C08 
CONECT      H092   1 C09 
CONECT      H091   1 C09 
CONECT      H101   1 C10 
CONECT      H102   1 C10 
CONECT      H112   1 C11 
CONECT      H111   1 C11 
CONECT      H121   1 C12 
CONECT      H132   1 C13 
CONECT      H131   1 C13 
CONECT      H141   1 C14 
CONECT      H142   1 C14 
CONECT      H152   1 C15 
CONECT      H151   1 C15 
CONECT      H161   1 C16 
CONECT      H162   1 C16 
CONECT      H172   1 C17 
CONECT      H171   1 C17 
CONECT      S1     2 C18  H2  
CONECT      H2     1 S1  
END   
HET    HJA             46
HETNAM     HJA (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}pro
HETNAM   2 HJA panethioic S-acid
FORMUL      HJA    C14 H26 N2 O3 S1