9TF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C6	doub	1.38Å	0.00Å	Aromatic
C1	C2	sing	1.38Å	0.00Å	Aromatic
C6	C5	sing	1.39Å	0.00Å	Aromatic
O1	C7	doub	1.22Å	0.00Å
C2	C3	doub	1.38Å	0.00Å	Aromatic
C5	C7	sing	1.48Å	0.00Å
C5	C4	doub	1.41Å	0.00Å	Aromatic
C7	C8	sing	1.47Å	0.00Å
O5	C9	sing	1.36Å	0.00Å
C3	C4	sing	1.39Å	0.00Å	Aromatic
C4	C14	sing	1.48Å	0.00Å
C8	C9	doub	1.40Å	0.00Å	Aromatic
C8	C13	sing	1.41Å	0.00Å	Aromatic
C9	C10	sing	1.39Å	0.00Å	Aromatic
C14	C13	sing	1.47Å	0.00Å
C14	O2	doub	1.22Å	0.00Å
C13	C12	doub	1.39Å	0.00Å	Aromatic
C10	C11	doub	1.38Å	0.00Å	Aromatic
C12	C11	sing	1.40Å	0.00Å	Aromatic
C12	O3	sing	1.36Å	0.00Å
C11	O4	sing	1.36Å	0.00Å
C2	H1	sing	1.08Å	0.00Å
C3	H2	sing	1.08Å	0.00Å
C6	H3	sing	1.08Å	0.00Å
C10	H4	sing	1.08Å	0.00Å
O3	H5	sing	0.97Å	0.00Å
C1	H6	sing	1.08Å	0.00Å
O5	H7	sing	0.97Å	0.00Å
O4	H8	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	90.0°	120.5°
C1	C6	C5	90.0°	119.8°
C1	C6	H3	90.0°	120.1°
C6	C1	H6	90.0°	119.8°
C1	C2	C3	90.0°	120.4°
C1	C2	H1	90.0°	119.8°
C2	C1	H6	90.0°	119.7°
C6	C5	C7	90.0°	120.6°
C6	C5	C4	90.0°	119.7°
C5	C6	H3	90.0°	120.1°
O1	C7	C5	90.0°	120.3°
O1	C7	C8	90.0°	120.4°
C2	C3	C4	90.0°	119.8°
C3	C2	H1	90.0°	119.8°
C2	C3	H2	90.0°	120.1°
C7	C5	C4	90.0°	119.7°
C5	C7	C8	90.0°	119.3°
C5	C4	C3	90.0°	119.7°
C5	C4	C14	90.0°	119.6°
C7	C8	C9	90.0°	120.5°
C7	C8	C13	90.0°	119.7°
O5	C9	C8	90.0°	120.1°
O5	C9	C10	90.0°	120.1°
C9	O5	H7	90.0°	114.0°
C3	C4	C14	90.0°	120.6°
C4	C3	H2	90.0°	120.1°
C4	C14	C13	90.0°	119.2°
C4	C14	O2	90.0°	120.4°
C9	C8	C13	90.0°	119.8°
C8	C9	C10	90.0°	119.9°
C8	C13	C14	90.0°	119.7°
C8	C13	C12	90.0°	119.7°
C9	C10	C11	90.0°	120.5°
C9	C10	H4	90.0°	119.8°
C13	C14	O2	90.0°	120.4°
C14	C13	C12	90.0°	120.6°
C13	C12	C11	90.0°	119.7°
C13	C12	O3	90.0°	120.2°
C10	C11	C12	90.0°	120.4°
C10	C11	O4	90.0°	119.8°
C11	C10	H4	90.0°	119.8°
C11	C12	O3	90.0°	120.1°
C12	C11	O4	90.0°	119.8°
C12	O3	H5	90.0°	114.0°
C11	O4	H8	90.0°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	H6	90.0°	179.4°
C1	C6	C5	H3	90.0°	179.8°
C6	C1	C2	C3	90.0°	0.6°
C1	C6	C5	C7	90.0°	179.7°
C1	C6	C5	C4	90.0°	0.2°
C6	C1	C2	H1	90.0°	179.7°
C2	C1	C6	C5	90.0°	0.5°
C1	C2	C3	H1	90.0°	179.7°
C1	C2	C3	C4	90.0°	0.3°
C1	C2	C3	H2	90.0°	179.7°
C2	C1	C6	H3	90.0°	179.7°
C6	C5	C7	O1	90.0°	13.9°
C6	C5	C7	C4	90.0°	179.9°
C6	C5	C7	C8	90.0°	166.1°
C6	C5	C4	C3	90.0°	0.0°
C6	C5	C4	C14	90.0°	179.9°
C5	C6	C1	H6	90.0°	180.0°
O1	C7	C5	C8	90.0°	179.9°
O1	C7	C5	C4	90.0°	166.1°
O1	C7	C8	C9	90.0°	13.9°
O1	C7	C8	C13	90.0°	166.1°
C2	C3	C4	C5	90.0°	0.0°
C2	C3	C4	H2	90.0°	179.9°
C2	C3	C4	C14	90.0°	179.9°
C3	C2	C1	H6	90.0°	180.0°
C7	C5	C4	C3	90.0°	179.9°
C7	C5	C4	C14	90.0°	0.1°
C5	C7	C8	C9	90.0°	166.2°
C5	C7	C8	C13	90.0°	13.8°
C7	C5	C6	H3	90.0°	0.1°
C4	C5	C7	C8	90.0°	13.8°
C5	C4	C3	C14	90.0°	179.9°
C5	C4	C14	C13	90.0°	13.6°
C5	C4	C14	O2	90.0°	166.2°
C5	C4	C3	H2	90.0°	180.0°
C4	C5	C6	H3	90.0°	180.0°
C7	C8	C9	O5	90.0°	0.1°
C7	C8	C9	C13	90.0°	180.0°
C7	C8	C9	C10	90.0°	180.0°
C7	C8	C13	C14	90.0°	0.1°
C7	C8	C13	C12	90.0°	180.0°
O5	C9	C8	C10	90.0°	179.9°
O5	C9	C8	C13	90.0°	179.9°
O5	C9	C10	C11	90.0°	180.0°
O5	C9	C10	H4	90.0°	0.1°
C3	C4	C14	C13	90.0°	166.2°
C3	C4	C14	O2	90.0°	13.9°
C4	C3	C2	H1	90.0°	180.0°
C4	C14	C13	C8	90.0°	13.7°
C4	C14	C13	O2	90.0°	179.9°
C4	C14	C13	C12	90.0°	166.3°
C14	C4	C3	H2	90.0°	0.2°
C9	C8	C13	C14	90.0°	179.9°
C9	C8	C13	C12	90.0°	0.0°
C8	C9	C10	C11	90.0°	0.0°
C8	C9	C10	H4	90.0°	180.0°
C8	C9	O5	H7	90.0°	90.0°
C13	C8	C9	C10	90.0°	0.0°
C8	C13	C14	C12	90.0°	179.9°
C8	C13	C14	O2	90.0°	166.2°
C8	C13	C12	C11	90.0°	0.0°
C8	C13	C12	O3	90.0°	180.0°
C9	C10	C11	H4	90.0°	180.0°
C9	C10	C11	C12	90.0°	0.0°
C9	C10	C11	O4	90.0°	180.0°
C10	C9	O5	H7	90.0°	89.9°
C14	C13	C12	C11	90.0°	179.9°
C14	C13	C12	O3	90.0°	0.0°
O2	C14	C13	C12	90.0°	13.9°
C13	C12	C11	C10	90.0°	0.0°
C13	C12	C11	O3	90.0°	180.0°
C13	C12	C11	O4	90.0°	180.0°
C13	C12	O3	H5	90.0°	90.0°
C10	C11	C12	O4	90.0°	180.0°
C10	C11	C12	O3	90.0°	180.0°
C10	C11	O4	H8	90.0°	90.0°
C12	C11	C10	H4	90.0°	180.0°
C11	C12	O3	H5	90.0°	90.1°
C12	C11	O4	H8	90.0°	90.0°
O3	C12	C11	O4	90.0°	0.0°
O4	C11	C10	H4	90.0°	0.0°
H1	C2	C3	H2	90.0°	0.1°
H1	C2	C1	H6	90.0°	0.3°
H3	C6	C1	H6	90.0°	0.2°

Release date:	2019-04-17
Definition date:	2018-07-27
Last modified:	2019-04-12
Release status:	REL
Processing site:	PDBJ