PDB Code: 818
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
PICTURE 818
O3==C8-------C9 C11---C12
| || \ / \
O11--C31--C32--O12 N7--C6 O3 C10 C13--O7--C43
/ / \ / \ | \ /
C45 C30 C33 O1==C1--C2 C5 O6 O5--C14--C15--O8--C44
\ / / \ / \
C29---C34 O1 C3--C4 C39 C36--C17--C16
| / || \
C28==C27--C26 C41 O10 O9 C38 C18--O13
| \ / / || | /
C42 C25--C24--C23--C22---C21--C20=C19--C37
END
RESIDUE 818 124
CONECT C1 3 C2 O1 O2
CONECT C2 4 C1 C3 N7 H2
CONECT C3 4 C2 C4 1H3 2H3
CONECT C4 4 C3 C5 1H4 2H4
CONECT C5 4 C4 C6 1H5 2H5
CONECT C6 4 C5 N7 1H6 2H6
CONECT C8 3 N7 C9 O3
CONECT C9 3 C8 C10 O4
CONECT C10 4 C9 C11 O5 O6
CONECT C11 4 C10 C12 C35 H11
CONECT C12 4 C11 C13 1H12 2H12
CONECT C13 4 C12 C14 O7 H13
CONECT C14 4 C13 C15 O5 H14
CONECT C15 4 C14 C16 O8 H15
CONECT C16 4 C15 C17 1H16 2H16
CONECT C17 4 C16 C18 C36 H17
CONECT C18 4 C17 C19 O13 H18
CONECT C19 3 C18 C20 C37
CONECT C20 3 C19 C21 H20
CONECT C21 4 C20 C22 C38 H21
CONECT C22 3 C21 C23 O9
CONECT C23 4 C22 C24 1H23 2H23
CONECT C24 4 C23 C25 O10 H24
CONECT C25 4 C24 C26 C41 H25
CONECT C26 4 C25 C27 O1 H26
CONECT C27 3 C26 C28 C42
CONECT C28 3 C27 C29 H28
CONECT C29 4 C28 C30 C34 H29
CONECT C30 4 C29 C31 1H30 2H30
CONECT C31 4 C30 C32 O11 H31
CONECT C32 4 C31 C33 O12 H32
CONECT C33 4 C32 C34 1H33 2H33
CONECT C34 4 C29 C33 1H34 2H34
CONECT C35 4 C11 1H35 2H35 3H35
CONECT C36 4 C17 1H36 2H36 3H36
CONECT C37 4 C19 1H37 2H37 3H37
CONECT C38 3 C21 C39 H38
CONECT C39 3 C38 1H39 2H39
CONECT C41 4 C25 1H41 2H41 3H41
CONECT C42 4 C27 1H42 2H42 3H42
CONECT C43 4 O7 1H43 2H43 3H43
CONECT C44 4 O8 1H44 2H44 3H44
CONECT C45 4 O11 1H45 2H45 3H45
CONECT N7 3 C2 C6 C8
CONECT O1 2 C1 C26
CONECT O2 1 C1
CONECT O3 1 C8
CONECT O4 1 C9
CONECT O5 2 C10 C14
CONECT O6 2 C10 HO6
CONECT O7 2 C13 C43
CONECT O8 2 C15 C44
CONECT O9 1 C22
CONECT O10 2 C24 0HO1
CONECT O11 2 C31 C45
CONECT O12 2 C32 2HO1
CONECT O13 2 C18 3HO1
CONECT H2 1 C2
CONECT 1H3 1 C3
CONECT 2H3 1 C3
CONECT 1H4 1 C4
CONECT 2H4 1 C4
CONECT 1H5 1 C5
CONECT 2H5 1 C5
CONECT 1H6 1 C6
CONECT 2H6 1 C6
CONECT H11 1 C11
CONECT 1H12 1 C12
CONECT 2H12 1 C12
CONECT H13 1 C13
CONECT H14 1 C14
CONECT H15 1 C15
CONECT 1H16 1 C16
CONECT 2H16 1 C16
CONECT H17 1 C17
CONECT H18 1 C18
CONECT H20 1 C20
CONECT H21 1 C21
CONECT 1H23 1 C23
CONECT 2H23 1 C23
CONECT H24 1 C24
CONECT H25 1 C25
CONECT H26 1 C26
CONECT H28 1 C28
CONECT H29 1 C29
CONECT 1H30 1 C30
CONECT 2H30 1 C30
CONECT H31 1 C31
CONECT H32 1 C32
CONECT 1H33 1 C33
CONECT 2H33 1 C33
CONECT 1H34 1 C34
CONECT 2H34 1 C34
CONECT 1H35 1 C35
CONECT 2H35 1 C35
CONECT 3H35 1 C35
CONECT 1H36 1 C36
CONECT 2H36 1 C36
CONECT 3H36 1 C36
CONECT 1H37 1 C37
CONECT 2H37 1 C37
CONECT 3H37 1 C37
CONECT H38 1 C38
CONECT 1H39 1 C39
CONECT 2H39 1 C39
CONECT 1H41 1 C41
CONECT 2H41 1 C41
CONECT 3H41 1 C41
CONECT 1H42 1 C42
CONECT 2H42 1 C42
CONECT 3H42 1 C42
CONECT 1H43 1 C43
CONECT 2H43 1 C43
CONECT 3H43 1 C43
CONECT 1H44 1 C44
CONECT 2H44 1 C44
CONECT 3H44 1 C44
CONECT 1H45 1 C45
CONECT 2H45 1 C45
CONECT 3H45 1 C45
CONECT HO6 1 O6
CONECT 0HO1 1 O10
CONECT 2HO1 1 O12
CONECT 3HO1 1 O13
END
HET 818 124
HETNAM 818 L-685,818 (18-HYDROXYASCOMYCIN)
FORMUL 818 C43 H67 N1 O13