PDB Code: KNI

Heterogen file generated from the PDB Het Group Dictionary

RESIDUE   KNI     87
CONECT      C1     3 C2   N1   H1
CONECT      C2     3 C1   C3   H2
CONECT      C3     3 C2   C4   C6
CONECT      C4     3 C3   C5   C9
CONECT      C5     3 C4   N1   H5
CONECT      C6     3 C3   C7   O1
CONECT      C7     3 C6   C8   H7
CONECT      C8     3 C7   C9   H8
CONECT      C9     3 C4   C8   H9
CONECT      C10    4 C11  O1  1H10 2H10
CONECT      C11    3 C10  N2   O3
CONECT      C12    4 C26  S1  1H12 2H12
CONECT      C13    3 C26  N3   O6
CONECT      C14    4 C15  C16  N3   H14
CONECT      C15    4 C14  C17  O2   H15
CONECT      C16    4 C14  C28 1H16 2H16
CONECT      C17    3 C15  N4   O4
CONECT      C18    4 C19  C21  N4   H18
CONECT      C19    4 C18  S2  1H19 2H19
CONECT      C20    4 N4   S2  1H20 2H20
CONECT      C21    3 C18  N5   O5
CONECT      C22    4 C23  C24  C25  N5
CONECT      C23    4 C22 1H23 2H23 3H23
CONECT      C24    4 C22 1H24 2H24 3H24
CONECT      C25    4 C22 1H25 2H25 3H25
CONECT      C26    4 C12  C13  N2   H26
CONECT      C27    4 S1  1H27 2H27 3H27
CONECT      C28    3 C16  C29  C33
CONECT      C29    3 C28  C30  H29
CONECT      C30    3 C29  C31  H30
CONECT      C31    3 C30  C32  H31
CONECT      C32    3 C31  C33  H32
CONECT      C33    3 C28  C32  H33
CONECT      N1     2 C1   C5
CONECT      N2     3 C11  C26  HN2
CONECT      N3     3 C13  C14  HN3
CONECT      N4     3 C17  C18  C20
CONECT      N5     3 C21  C22  HN5
CONECT      O1     2 C6   C10
CONECT      O2     2 C15  HO2
CONECT      O3     1 C11
CONECT      O4     1 C17
CONECT      O5     1 C21
CONECT      O6     1 C13
CONECT      S1     2 C12  C27
CONECT      S2     2 C19  C20
CONECT      H1     1 C1
CONECT      H2     1 C2
CONECT      H5     1 C5
CONECT      H7     1 C7
CONECT      H8     1 C8
CONECT      H9     1 C9
CONECT     1H10    1 C10
CONECT     2H10    1 C10
CONECT     1H12    1 C12
CONECT     2H12    1 C12
CONECT      H14    1 C14
CONECT      H15    1 C15
CONECT     1H16    1 C16
CONECT     2H16    1 C16
CONECT      H18    1 C18
CONECT     1H19    1 C19
CONECT     2H19    1 C19
CONECT     1H20    1 C20
CONECT     2H20    1 C20
CONECT     1H23    1 C23
CONECT     2H23    1 C23
CONECT     3H23    1 C23
CONECT     1H24    1 C24
CONECT     2H24    1 C24
CONECT     3H24    1 C24
CONECT     1H25    1 C25
CONECT     2H25    1 C25
CONECT     3H25    1 C25
CONECT      H26    1 C26
CONECT     1H27    1 C27
CONECT     2H27    1 C27
CONECT     3H27    1 C27
CONECT      H29    1 C29
CONECT      H30    1 C30
CONECT      H31    1 C31
CONECT      H32    1 C32
CONECT      H33    1 C33
CONECT      HN2    1 N2
CONECT      HN3    1 N3
CONECT      HN5    1 N5
CONECT      HO2    1 O2
END
HET    KNI             87
HETNAM     KNI (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-
HETNAM   2 KNI METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE
FORMUL      KNI    C33 H41 N5 O6 S2