7OQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C2	sing	1.43Å	1.44Å
O2	C1	sing	1.43Å	1.40Å
C2	C1	sing	1.53Å	1.55Å
C2	C4	sing	1.53Å	1.52Å
C1	C3	sing	1.53Å	1.57Å
C6	C4	sing	1.53Å	1.54Å
C6	O6	sing	1.43Å	1.46Å
C4	O1	sing	1.43Å	1.43Å
C3	O5	sing	1.43Å	1.45Å
C3	C5	sing	1.53Å	1.52Å
O1	C5	sing	1.43Å	1.43Å
C5	O4	sing	1.43Å	1.45Å
O4	C7	sing	1.36Å	1.39Å
C8	C7	doub	1.39Å	1.40Å	Aromatic
C8	C10	sing	1.38Å	1.42Å	Aromatic
C7	C9	sing	1.39Å	1.41Å	Aromatic
C10	C12	doub	1.39Å	1.41Å	Aromatic
C9	C11	doub	1.38Å	1.40Å	Aromatic
C12	C11	sing	1.39Å	1.40Å	Aromatic
C12	O7	sing	1.36Å	1.40Å
O7	H16	sing	0.97Å	0.95Å
C10	H14	sing	1.08Å	1.08Å
C8	H12	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
C5	H5	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O5	H10	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
O2	H8	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O3	H9	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
O6	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C2	C1	110.3°	109.5°
O3	C2	C4	109.5°	109.5°
O3	C2	H2	110.5°	109.5°
C2	O3	H9	109.5°	114.0°
O2	C1	C2	110.3°	109.6°
O2	C1	C3	110.6°	109.5°
O2	C1	H1	109.5°	109.5°
C1	O2	H8	109.5°	114.0°
C1	C2	C4	108.2°	109.2°
C2	C1	C3	111.3°	109.1°
C2	C1	H1	107.6°	109.6°
C1	C2	H2	109.0°	109.5°
C2	C4	C6	115.5°	109.5°
C2	C4	O1	108.7°	109.4°
C4	C2	H2	109.4°	109.5°
C2	C4	H4	109.0°	109.5°
C1	C3	O5	110.5°	109.5°
C1	C3	C5	110.1°	109.1°
C1	C3	H3	107.0°	109.5°
C3	C1	H1	107.4°	109.6°
C4	C6	O6	107.5°	109.5°
C6	C4	O1	104.5°	109.5°
C6	C4	H4	108.7°	109.5°
C4	C6	H6	110.0°	109.5°
C4	C6	H7	109.9°	109.5°
O6	C6	H6	109.9°	109.4°
O6	C6	H7	110.0°	109.5°
C6	O6	H11	109.5°	114.0°
C4	O1	C5	115.3°	114.1°
O1	C4	H4	110.2°	109.5°
O5	C3	C5	113.1°	109.5°
O5	C3	H3	108.4°	109.6°
C3	O5	H10	109.5°	113.9°
C3	C5	O1	108.6°	109.4°
C3	C5	O4	113.5°	109.5°
C3	C5	H5	109.0°	109.5°
C5	C3	H3	107.4°	109.6°
O1	C5	O4	105.3°	109.5°
O1	C5	H5	110.3°	109.5°
C5	O4	C7	124.1°	117.0°
O4	C5	H5	110.0°	109.5°
O4	C7	C8	125.0°	120.0°
O4	C7	C9	118.3°	120.0°
C7	C8	C10	121.3°	120.0°
C8	C7	C9	116.7°	120.0°
C7	C8	H12	119.3°	120.0°
C8	C10	C12	121.1°	120.0°
C8	C10	H14	119.4°	120.0°
C10	C8	H12	119.3°	120.0°
C7	C9	C11	122.4°	120.0°
C7	C9	H13	118.8°	120.0°
C10	C12	C11	117.5°	120.0°
C10	C12	O7	122.7°	120.0°
C12	C10	H14	119.5°	120.0°
C9	C11	C12	120.9°	120.0°
C9	C11	H15	119.6°	120.0°
C11	C9	H13	118.8°	120.0°
C11	C12	O7	119.8°	120.0°
C12	C11	H15	119.5°	120.0°
C12	O7	H16	109.5°	113.9°
H6	C6	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C2	C1	O2	63.3°	63.2°
O3	C2	C1	C4	119.7°	119.9°
O3	C2	C1	H2	121.5°	120.1°
O3	C2	C4	H2	121.2°	120.1°
O3	C2	C1	C3	173.4°	176.9°
O3	C2	C4	C6	64.5°	62.5°
O3	C2	C4	O1	178.4°	177.5°
O3	C2	C1	H1	56.0°	57.0°
O3	C2	C4	H4	58.2°	57.5°
O2	C1	C2	C3	123.2°	119.9°
O2	C1	C2	H1	119.4°	120.2°
O2	C1	C2	C4	177.0°	176.9°
O2	C1	C3	H1	119.4°	120.1°
O2	C1	C3	O5	59.4°	63.2°
O2	C1	C3	C5	174.9°	177.0°
O2	C1	C3	H3	58.4°	57.0°
O2	C1	C2	H2	58.1°	57.0°
C1	C2	C4	H2	118.6°	119.9°
C2	C1	C3	H1	117.5°	119.9°
C1	C2	C4	C6	175.3°	177.6°
C1	C2	C4	O1	58.2°	57.6°
C2	C1	C3	O5	177.6°	176.9°
C2	C1	C3	C5	51.8°	57.0°
C2	C1	C3	H3	64.6°	62.9°
C2	C1	O2	H8	180.0°	179.6°
C1	C2	O3	H9	180.0°	60.0°
C1	C2	C4	H4	62.0°	62.4°
C4	C2	C1	C3	53.7°	57.0°
C2	C4	C6	O1	119.4°	119.9°
C2	C4	C6	H4	122.9°	120.0°
C2	C4	C6	O6	51.3°	175.0°
C2	C4	O1	H4	119.4°	120.0°
C2	C4	O1	C5	65.9°	61.2°
C4	C2	C1	H1	63.7°	62.9°
C4	C2	O3	H9	61.1°	179.7°
C2	C4	C6	H6	171.0°	55.0°
C2	C4	C6	H7	68.4°	65.0°
C1	C3	O5	C5	124.0°	119.6°
C1	C3	O5	H3	116.9°	120.2°
C1	C3	C5	H3	116.2°	119.9°
C1	C3	C5	O1	53.0°	57.6°
C1	C3	C5	O4	169.7°	177.6°
C1	C3	C5	H5	67.3°	62.4°
C1	C3	O5	H10	180.0°	179.7°
C3	C1	O2	H8	56.4°	60.0°
C3	C1	C2	H2	65.1°	62.9°
C4	C6	O6	H6	119.7°	120.0°
C4	C6	O6	H7	119.7°	120.0°
C6	C4	O1	H4	116.7°	120.0°
C6	C4	O1	C5	170.2°	178.9°
C6	C4	C2	H2	56.7°	57.7°
C4	C6	H6	H7	120.9°	120.0°
C4	C6	O6	H11	180.0°	180.0°
O6	C6	C4	O1	68.1°	65.1°
O6	C6	C4	H4	174.2°	55.0°
O6	C6	H6	H7	120.9°	120.0°
C4	O1	C5	C3	62.6°	61.2°
C4	O1	C5	O4	175.5°	178.9°
C4	O1	C5	H5	56.9°	58.8°
O1	C4	C2	H2	60.4°	62.3°
O1	C4	C6	H6	51.6°	175.0°
O1	C4	C6	H7	172.2°	54.9°
O5	C3	C5	H3	119.6°	120.2°
O5	C3	C5	O1	177.2°	177.5°
O5	C3	C5	O4	66.1°	62.6°
O5	C3	C5	H5	56.9°	57.5°
O5	C3	C1	H1	60.0°	57.0°
C3	C5	O1	O4	121.9°	119.9°
C3	C5	O1	H5	119.5°	120.0°
C3	C5	O4	H5	122.5°	120.1°
C3	C5	O4	C7	153.8°	175.0°
C5	C3	O5	H10	56.0°	60.1°
C5	C3	C1	H1	65.7°	62.9°
O1	C5	O4	H5	118.9°	120.0°
O1	C5	O4	C7	87.5°	65.1°
O1	C5	C3	H3	63.2°	62.3°
C5	O1	C4	H4	53.5°	58.8°
C5	O4	C7	C8	21.0°	180.0°
C5	O4	C7	C9	162.6°	0.2°
O4	C5	C3	H3	53.5°	57.6°
O4	C7	C8	C9	176.4°	179.8°
O4	C7	C8	C10	179.0°	180.0°
O4	C7	C9	C11	176.9°	179.7°
O4	C7	C8	H12	1.1°	0.1°
O4	C7	C9	H13	3.1°	0.2°
C7	O4	C5	H5	31.4°	54.9°
C7	C8	C10	H12	180.0°	179.9°
C7	C8	C10	C12	2.9°	0.1°
C8	C7	C9	C11	0.3°	0.5°
C7	C8	C10	H14	177.1°	179.9°
C8	C7	C9	H13	179.8°	179.9°
C10	C8	C7	C9	2.6°	0.2°
C8	C10	C12	H14	180.0°	180.0°
C8	C10	C12	C11	0.8°	0.0°
C8	C10	C12	O7	177.4°	179.7°
C7	C9	C11	H13	180.0°	179.5°
C7	C9	C11	C12	1.8°	0.5°
C9	C7	C8	H12	177.5°	179.7°
C7	C9	C11	H15	178.2°	179.5°
C10	C12	C11	C9	1.4°	0.3°
C10	C12	C11	O7	178.3°	179.7°
C10	C12	O7	H16	180.0°	89.7°
C12	C10	C8	H12	177.1°	179.9°
C10	C12	C11	H15	178.5°	179.7°
C9	C11	C12	H15	180.0°	180.0°
C9	C11	C12	O7	179.7°	180.0°
C11	C12	O7	H16	1.8°	90.0°
C11	C12	C10	H14	179.2°	180.0°
C12	C11	C9	H13	178.2°	180.0°
O7	C12	C10	H14	2.6°	0.3°
O7	C12	C11	H15	0.3°	0.0°
H14	C10	C8	H12	2.9°	0.1°
H15	C11	C9	H13	1.8°	0.0°
H5	C5	C3	H3	176.5°	177.7°
H3	C3	O5	H10	63.1°	60.2°
H3	C3	C1	H1	177.8°	177.2°
H1	C1	O2	H8	61.8°	60.2°
H1	C1	C2	H2	177.5°	177.1°
H2	C2	O3	H9	59.4°	60.2°
H2	C2	C4	H4	179.4°	177.7°
H4	C4	C6	H6	66.1°	65.0°
H4	C4	C6	H7	54.5°	175.0°
H6	C6	O6	H11	60.3°	60.0°
H7	C6	O6	H11	60.3°	60.0°

Release date:	2022-03-09
Definition date:	2021-10-08
Last modified:	2022-03-04
Release status:	REL
Processing site:	PDBJ
Derived from:	7VL6