RESIDUE   A1I1I     83
CONECT      N3     2 C4   C2  
CONECT      C4     3 N3   C5   C42 
CONECT      C5     3 C4   C6   H5  
CONECT      C8     4 C9   O7   H8B  H8A 
CONECT      C10    4 C11  C9   H10A H10B
CONECT      C15    3 C14  C16  H15 
CONECT      C17    3 C18  C16  C36 
CONECT      C20    3 C21  C19  N33 
CONECT      C21    3 C20  N23  O22 
CONECT      C1     4 C2   C48  N45  H1  
CONECT      C2     3 N3   C1   H2  
CONECT      C11    3 C10  N13  O12 
CONECT      C14    3 C15  C37  N13 
CONECT      C18    3 C17  C19  C35 
CONECT      C19    3 C20  C18  H19 
CONECT      C25    3 C24  C26  H25 
CONECT      C29    3 C30  S28  H29 
CONECT      C30    3 C29  C31  H30 
CONECT      C31    3 C30  C32  C27 
CONECT      C32    3 C31  C24  H32 
CONECT      C34    4 N33  H34B H34A H34C
CONECT      C16    3 C15  C17  H16 
CONECT      C24    3 C25  C32  N23 
CONECT      C26    3 C25  C27  H26 
CONECT      C27    3 C31  C26  S28 
CONECT      C35    3 C18  N33  H35 
CONECT      C36    3 C17  C37  H36 
CONECT      C37    3 C14  C36  H37 
CONECT      C38    3 C41  C6   O39 
CONECT      C40    4 O39  H40B H40C H40A
CONECT      C41    3 C38  C42  H41 
CONECT      C42    3 C4   C41  C43 
CONECT      C43    3 C42  N45  O44 
CONECT      C46    4 C47  N45  H46B H46A
CONECT      C47    4 C46  C48  H47B H47A
CONECT      C48    4 C1   C47  H48B H48A
CONECT      C6     3 C5   C38  O7  
CONECT      C9     4 C8   C10  H9A  H9B 
CONECT      N13    3 C11  C14  H13 
CONECT      N23    3 C21  C24  H23 
CONECT      N33    3 C20  C34  C35 
CONECT      N45    3 C1   C43  C46 
CONECT      O12    1 C11 
CONECT      O22    1 C21 
CONECT      O39    2 C38  C40 
CONECT      O44    1 C43 
CONECT      O7     2 C8   C6  
CONECT      S28    2 C29  C27 
CONECT      H5     1 C5  
CONECT      H8B    1 C8  
CONECT      H8A    1 C8  
CONECT      H10A   1 C10 
CONECT      H10B   1 C10 
CONECT      H15    1 C15 
CONECT      H1     1 C1  
CONECT      H2     1 C2  
CONECT      H19    1 C19 
CONECT      H25    1 C25 
CONECT      H29    1 C29 
CONECT      H30    1 C30 
CONECT      H32    1 C32 
CONECT      H34B   1 C34 
CONECT      H34A   1 C34 
CONECT      H34C   1 C34 
CONECT      H16    1 C16 
CONECT      H26    1 C26 
CONECT      H35    1 C35 
CONECT      H36    1 C36 
CONECT      H37    1 C37 
CONECT      H40B   1 C40 
CONECT      H40C   1 C40 
CONECT      H40A   1 C40 
CONECT      H41    1 C41 
CONECT      H46B   1 C46 
CONECT      H46A   1 C46 
CONECT      H47B   1 C47 
CONECT      H47A   1 C47 
CONECT      H48B   1 C48 
CONECT      H48A   1 C48 
CONECT      H9A    1 C9  
CONECT      H9B    1 C9  
CONECT      H13    1 N13 
CONECT      H23    1 N23 
END   
HET    A1I1I             83
HETNAM     A1I1I 4-[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},
HETNAM   2 A1I1I 7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]o
HETNAM   3 A1I1I xy]butanoylamino]phenyl]-~{N}-(1-benzothiophen-5-yl)-1-
HETNAM   4 A1I1I methyl-pyrrole-2-carboxamide
FORMUL      A1I1I    C37 H35 N5 O5 S