LQO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C11	doub	1.21Å	1.17Å
C8	C10	sing	1.51Å	1.50Å
C8	N13	sing	1.47Å	1.44Å
C6	C10	doub	1.38Å	1.30Å	Aromatic
C6	C4	sing	1.38Å	1.50Å	Aromatic
C10	C7	sing	1.38Å	1.49Å	Aromatic
C17	O16	sing	1.43Å	1.39Å
C4	C3	doub	1.38Å	1.29Å	Aromatic
C11	N13	sing	1.35Å	1.45Å
C11	C1	sing	1.51Å	1.52Å
C7	C5	doub	1.38Å	1.29Å	Aromatic
O16	C15	sing	1.43Å	1.37Å
C3	C5	sing	1.38Å	1.51Å	Aromatic
C15	C1	sing	1.53Å	1.51Å
C1	N0	sing	1.47Å	1.44Å
N0	C9	sing	1.35Å	1.42Å
O14	C9	doub	1.21Å	1.16Å
C9	C2	sing	1.51Å	1.50Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C17	H14	sing	1.09Å	1.10Å
C17	H15	sing	1.09Å	1.10Å
C17	H16	sing	1.09Å	1.10Å
N0	H17	sing	0.97Å	1.00Å
N13	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C11	N13	119.5°	120.0°
O12	C11	C1	116.8°	120.0°
C10	C8	N13	104.1°	109.4°
C8	C10	C6	118.6°	120.0°
C8	C10	C7	120.0°	120.0°
C10	C8	H5	110.8°	109.5°
C10	C8	H6	110.8°	109.5°
C8	N13	C11	123.0°	120.0°
N13	C8	H5	110.8°	109.5°
N13	C8	H6	110.8°	109.4°
C8	N13	H18	118.5°	120.0°
C10	C6	C4	120.7°	120.0°
C6	C10	C7	121.4°	120.0°
C10	C6	H3	119.7°	119.9°
C6	C4	C3	118.0°	120.0°
C6	C4	H1	121.0°	120.0°
C4	C6	H3	119.7°	120.1°
C10	C7	C5	117.9°	120.0°
C10	C7	H4	121.1°	120.0°
C17	O16	C15	111.0°	114.0°
O16	C17	H14	109.5°	109.5°
O16	C17	H15	109.5°	109.5°
O16	C17	H16	109.5°	109.4°
C4	C3	C5	120.7°	120.0°
C3	C4	H1	121.0°	120.0°
C4	C3	H11	119.7°	120.0°
N13	C11	C1	123.7°	120.0°
C11	N13	H18	118.5°	120.0°
C11	C1	C15	107.1°	109.4°
C11	C1	N0	112.8°	109.5°
C11	C1	H7	111.4°	109.4°
C7	C5	C3	121.4°	120.0°
C7	C5	H2	119.3°	120.0°
C5	C7	H4	121.1°	120.0°
O16	C15	C1	111.3°	109.5°
O16	C15	H12	109.0°	109.5°
O16	C15	H13	109.0°	109.4°
C3	C5	H2	119.3°	120.0°
C5	C3	H11	119.7°	120.0°
C15	C1	N0	100.4°	109.5°
C15	C1	H7	111.6°	109.5°
C1	C15	H12	109.0°	109.5°
C1	C15	H13	109.0°	109.5°
C1	N0	C9	123.0°	120.0°
N0	C1	H7	112.8°	109.5°
C1	N0	H17	118.5°	120.0°
N0	C9	O14	121.1°	120.0°
N0	C9	C2	119.3°	120.0°
C9	N0	H17	118.5°	120.1°
O14	C9	C2	119.6°	120.0°
C9	C2	H8	109.5°	109.5°
C9	C2	H9	109.5°	109.4°
C9	C2	H10	109.4°	109.4°
H5	C8	H6	109.5°	109.5°
H8	C2	H9	109.5°	109.5°
H8	C2	H10	109.4°	109.5°
H9	C2	H10	109.5°	109.5°
H12	C15	H13	109.5°	109.5°
H14	C17	H15	109.4°	109.5°
H14	C17	H16	109.5°	109.5°
H15	C17	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C11	N13	C8	1.4°	0.1°
O12	C11	N13	C1	178.7°	179.9°
O12	C11	C1	C15	70.8°	120.0°
O12	C11	C1	N0	179.7°	0.0°
O12	C11	C1	H7	51.6°	120.0°
O12	C11	N13	H18	178.6°	180.0°
C10	C8	N13	H5	119.1°	120.1°
C10	C8	N13	H6	119.1°	119.9°
C8	C10	C6	C7	178.7°	179.9°
C8	C10	C6	C4	179.5°	180.0°
C10	C8	N13	C11	116.0°	180.0°
C8	C10	C7	C5	179.9°	179.7°
C8	C10	C6	H3	0.5°	0.1°
C8	C10	C7	H4	0.1°	0.4°
C10	C8	H5	H6	122.5°	120.0°
C10	C8	N13	H18	64.1°	0.1°
N13	C8	C10	C6	64.5°	90.0°
N13	C8	C10	C7	114.2°	90.1°
C8	N13	C11	H18	180.0°	179.9°
C8	N13	C11	C1	179.9°	180.0°
N13	C8	H5	H6	122.5°	120.0°
C10	C6	C4	H3	180.0°	180.0°
C10	C6	C4	C3	0.1°	0.1°
C6	C10	C7	C5	1.4°	0.2°
C10	C6	C4	H1	179.9°	179.7°
C6	C10	C7	H4	178.6°	179.7°
C6	C10	C8	H5	54.6°	150.0°
C6	C10	C8	H6	176.4°	29.9°
C4	C6	C10	C7	0.9°	0.1°
C6	C4	C3	H1	180.0°	179.8°
C6	C4	C3	C5	0.4°	0.2°
C6	C4	C3	H11	179.6°	179.8°
C10	C7	C5	H4	180.0°	180.0°
C10	C7	C5	C3	1.0°	0.5°
C10	C7	C5	H2	179.0°	180.0°
C7	C10	C6	H3	179.2°	180.0°
C7	C10	C8	H5	126.7°	30.0°
C7	C10	C8	H6	4.9°	150.0°
C17	O16	C15	C1	178.5°	179.9°
C17	O16	C15	H12	58.2°	60.0°
C17	O16	C15	H13	61.3°	60.0°
O16	C17	H14	H15	120.0°	120.1°
O16	C17	H14	H16	120.0°	120.0°
O16	C17	H15	H16	120.0°	120.0°
C4	C3	C5	C7	0.2°	0.5°
C4	C3	C5	H11	180.0°	179.9°
C4	C3	C5	H2	179.8°	180.0°
C3	C4	C6	H3	179.9°	180.0°
N13	C11	C1	C15	108.0°	60.0°
N13	C11	C1	N0	1.6°	180.0°
C11	N13	C8	H5	3.2°	59.9°
C11	N13	C8	H6	124.9°	60.1°
N13	C11	C1	H7	129.6°	60.0°
C11	C1	C15	O16	96.1°	55.0°
C11	C1	C15	N0	118.0°	120.0°
C11	C1	C15	H7	122.2°	120.0°
C11	C1	N0	H7	127.3°	120.0°
C11	C1	N0	C9	139.5°	155.0°
C11	C1	C15	H12	143.7°	175.0°
C11	C1	C15	H13	24.2°	65.0°
C11	C1	N0	H17	40.5°	24.9°
C1	C11	N13	H18	0.1°	0.0°
C7	C5	C3	H2	180.0°	179.5°
C7	C5	C3	H11	179.9°	179.4°
O16	C15	C1	H12	120.3°	120.0°
O16	C15	C1	H13	120.2°	120.0°
O16	C15	C1	N0	145.9°	65.0°
O16	C15	C1	H7	26.2°	175.0°
O16	C15	H12	H13	119.2°	120.0°
C15	O16	C17	H14	180.0°	180.0°
C15	O16	C17	H15	60.0°	59.9°
C15	O16	C17	H16	60.0°	60.0°
C5	C3	C4	H1	179.6°	180.0°
C3	C5	C7	H4	179.0°	179.4°
C15	C1	N0	H7	118.9°	120.1°
C15	C1	N0	C9	106.8°	85.0°
C1	C15	H12	H13	119.2°	120.0°
C15	C1	N0	H17	73.2°	95.0°
C1	N0	C9	H17	180.0°	179.9°
C1	N0	C9	O14	2.6°	0.0°
C1	N0	C9	C2	177.7°	180.0°
N0	C1	C15	H12	25.6°	55.0°
N0	C1	C15	H13	93.8°	175.0°
N0	C9	O14	C2	179.7°	180.0°
C9	N0	C1	H7	12.2°	35.0°
N0	C9	C2	H8	179.7°	0.0°
N0	C9	C2	H9	60.3°	120.0°
N0	C9	C2	H10	59.7°	120.0°
O14	C9	C2	H8	0.0°	180.0°
O14	C9	C2	H9	120.0°	60.0°
O14	C9	C2	H10	120.0°	60.0°
O14	C9	N0	H17	177.4°	179.9°
C9	C2	H8	H9	120.0°	120.0°
C9	C2	H8	H10	120.0°	119.9°
C9	C2	H9	H10	120.0°	119.9°
C2	C9	N0	H17	2.3°	0.1°
H1	C4	C6	H3	0.1°	0.3°
H1	C4	C3	H11	0.4°	0.0°
H2	C5	C7	H4	1.0°	0.0°
H2	C5	C3	H11	0.1°	0.0°
H5	C8	N13	H18	176.8°	120.0°
H6	C8	N13	H18	55.1°	120.0°
H7	C1	C15	H12	94.1°	65.0°
H7	C1	C15	H13	146.4°	55.0°
H7	C1	N0	H17	167.8°	144.9°
H8	C2	H9	H10	120.0°	120.1°
H14	C17	H15	H16	119.9°	120.0°

Release date:	2023-08-30
Definition date:	2023-04-12
Last modified:	2023-08-25
Release status:	REL
Processing site:	RCSB
Derived from:	8S9B