L4U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C9	doub	1.32Å	1.34Å	Aromatic
N1	C8	sing	1.32Å	1.34Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.39Å	1.40Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C7	C11	sing	1.39Å	1.42Å	Aromatic
C7	N	sing	1.40Å	1.42Å
C11	C12	sing	1.51Å	1.51Å
O	C6	doub	1.21Å	1.22Å
N	C6	sing	1.35Å	1.35Å
C6	C5	sing	1.51Å	1.51Å
C2	C1	sing	1.53Å	1.52Å
C1	C3	sing	1.53Å	1.56Å
C1	C	sing	1.53Å	1.52Å
C3	C5	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
N	H16	sing	0.97Å	1.00Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C9	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N1	C8	117.4°	121.8°
N1	C9	C10	123.7°	120.9°
N1	C9	H20	118.2°	119.5°
N1	C8	C7	123.5°	120.6°
N1	C8	H6	118.2°	119.6°
C9	C10	C11	119.6°	119.2°
C9	C10	H7	120.2°	120.4°
C10	C9	H20	118.1°	119.5°
C8	C7	C11	118.4°	119.0°
C8	C7	N	121.7°	120.4°
C7	C8	H6	118.3°	119.7°
C10	C11	C7	117.4°	118.4°
C10	C11	C12	120.4°	120.8°
C11	C10	H7	120.2°	120.4°
C11	C7	N	119.8°	120.5°
C7	C11	C12	122.1°	120.8°
C7	N	C6	125.4°	120.0°
C7	N	H16	117.3°	120.0°
C11	C12	H17	109.5°	109.4°
C11	C12	H18	109.5°	109.5°
C11	C12	H19	109.4°	109.5°
O	C6	N	123.7°	120.0°
O	C6	C5	121.6°	120.0°
N	C6	C5	114.7°	120.0°
C6	N	H16	117.3°	120.0°
C6	C5	C3	113.2°	109.5°
C6	C5	H4	108.6°	109.5°
C6	C5	H5	108.5°	109.4°
C2	C1	C3	113.6°	109.5°
C2	C1	C	110.3°	109.5°
C2	C1	H9	106.8°	109.4°
C1	C2	H10	109.5°	109.5°
C1	C2	H11	109.4°	109.5°
C1	C2	H12	109.5°	109.5°
C3	C1	C	112.6°	109.5°
C1	C3	C5	111.2°	109.5°
C1	C3	C4	113.0°	109.5°
C1	C3	H8	107.3°	109.4°
C3	C1	H9	106.3°	109.5°
C	C1	H9	106.8°	109.5°
C1	C	H13	109.5°	109.4°
C1	C	H14	109.4°	109.5°
C1	C	H15	109.4°	109.5°
C5	C3	C4	109.8°	109.5°
C3	C5	H4	108.5°	109.5°
C3	C5	H5	108.5°	109.5°
C5	C3	H8	107.6°	109.5°
C3	C4	H1	109.5°	109.5°
C3	C4	H2	109.5°	109.5°
C3	C4	H3	109.5°	109.5°
C4	C3	H8	107.7°	109.5°
H1	C4	H2	109.5°	109.5°
H1	C4	H3	109.5°	109.4°
H2	C4	H3	109.4°	109.5°
H4	C5	H5	109.5°	109.5°
H10	C2	H11	109.5°	109.4°
H10	C2	H12	109.4°	109.5°
H11	C2	H12	109.4°	109.4°
H13	C	H14	109.5°	109.5°
H13	C	H15	109.5°	109.5°
H14	C	H15	109.5°	109.5°
H17	C12	H18	109.4°	109.4°
H17	C12	H19	109.5°	109.5°
H18	C12	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C9	C10	H20	180.0°	180.0°
C9	N1	C8	C7	0.7°	0.0°
N1	C9	C10	C11	0.7°	0.0°
C9	N1	C8	H6	179.3°	180.0°
N1	C9	C10	H7	179.3°	180.0°
C8	N1	C9	C10	0.7°	0.0°
N1	C8	C7	H6	180.0°	180.0°
N1	C8	C7	C11	0.7°	0.1°
N1	C8	C7	N	178.1°	180.0°
C8	N1	C9	H20	179.3°	180.0°
C9	C10	C11	H7	180.0°	180.0°
C9	C10	C11	C7	2.0°	0.0°
C9	C10	C11	C12	175.1°	179.9°
C8	C7	C11	C10	2.0°	0.0°
C8	C7	C11	N	178.9°	180.0°
C8	C7	C11	C12	175.1°	179.9°
C8	C7	N	C6	78.6°	24.8°
C8	C7	N	H16	101.4°	155.3°
C10	C11	C7	C12	177.1°	179.9°
C10	C11	C7	N	176.9°	180.0°
C10	C11	C12	H17	91.5°	90.0°
C10	C11	C12	H18	148.5°	29.9°
C10	C11	C12	H19	28.5°	149.9°
C11	C10	C9	H20	179.4°	180.0°
C11	C7	N	C6	102.5°	155.3°
C11	C7	C8	H6	179.3°	180.0°
C7	C11	C10	H7	178.0°	180.0°
C11	C7	N	H16	77.4°	24.7°
C7	C11	C12	H17	91.5°	90.1°
C7	C11	C12	H18	28.4°	150.0°
C7	C11	C12	H19	148.4°	30.0°
N	C7	C11	C12	6.1°	0.1°
C7	N	C6	O	8.8°	5.5°
C7	N	C6	H16	180.0°	180.0°
C7	N	C6	C5	168.9°	174.5°
N	C7	C8	H6	1.9°	0.0°
C12	C11	C10	H7	4.9°	0.1°
C11	C12	H17	H18	120.0°	120.0°
C11	C12	H17	H19	120.0°	120.0°
C11	C12	H18	H19	120.0°	120.1°
O	C6	N	C5	177.7°	180.0°
O	C6	C5	C3	81.6°	0.0°
O	C6	C5	H4	38.9°	120.0°
O	C6	C5	H5	157.8°	120.0°
O	C6	N	H16	171.2°	174.4°
N	C6	C5	C3	100.6°	180.0°
N	C6	C5	H4	138.8°	60.0°
N	C6	C5	H5	19.9°	60.0°
C6	C5	C3	C1	78.9°	175.0°
C6	C5	C3	H4	120.6°	120.0°
C6	C5	C3	H5	120.5°	120.0°
C6	C5	C3	C4	155.3°	65.0°
C6	C5	H4	H5	118.3°	120.0°
C6	C5	C3	H8	38.3°	55.0°
C5	C6	N	H16	11.1°	5.5°
C2	C1	C3	C	126.3°	120.0°
C2	C1	C3	H9	117.1°	120.0°
C2	C1	C	H9	115.7°	119.9°
C2	C1	C3	C5	175.2°	180.0°
C2	C1	C3	C4	60.8°	60.0°
C2	C1	C3	H8	57.8°	60.0°
C1	C2	H10	H11	120.0°	120.0°
C1	C2	H10	H12	120.0°	120.1°
C1	C2	H11	H12	120.0°	120.0°
C2	C1	C	H13	180.0°	60.0°
C2	C1	C	H14	60.0°	180.0°
C2	C1	C	H15	60.0°	60.0°
C3	C1	C	H9	116.3°	120.1°
C1	C3	C5	C4	125.8°	120.0°
C1	C3	C5	H8	117.2°	120.0°
C1	C3	C4	H8	118.3°	120.0°
C1	C3	C4	H1	180.0°	180.0°
C1	C3	C4	H2	60.0°	60.0°
C1	C3	C4	H3	60.0°	60.0°
C1	C3	C5	H4	41.6°	55.0°
C1	C3	C5	H5	160.5°	65.1°
C3	C1	C2	H10	180.0°	60.0°
C3	C1	C2	H11	60.0°	180.0°
C3	C1	C2	H12	60.0°	60.0°
C3	C1	C	H13	52.0°	60.0°
C3	C1	C	H14	68.0°	60.0°
C3	C1	C	H15	172.0°	180.0°
C	C1	C3	C5	58.5°	60.0°
C	C1	C3	C4	65.5°	180.0°
C	C1	C3	H8	175.9°	60.0°
C	C1	C2	H10	52.6°	60.0°
C	C1	C2	H11	67.5°	60.0°
C	C1	C2	H12	172.6°	180.0°
C1	C	H13	H14	120.0°	120.0°
C1	C	H13	H15	120.0°	120.0°
C1	C	H14	H15	119.9°	120.0°
C5	C3	C4	H8	116.9°	120.0°
C5	C3	C4	H1	55.2°	60.0°
C5	C3	C4	H2	175.2°	180.0°
C5	C3	C4	H3	64.8°	60.0°
C3	C5	H4	H5	118.3°	120.0°
C5	C3	C1	H9	58.1°	60.0°
C3	C4	H1	H2	120.0°	120.0°
C3	C4	H1	H3	120.0°	120.0°
C3	C4	H2	H3	120.0°	120.0°
C4	C3	C5	H4	84.2°	175.0°
C4	C3	C5	H5	34.7°	55.0°
C4	C3	C1	H9	177.9°	60.0°
H1	C4	H2	H3	119.9°	120.0°
H1	C4	C3	H8	61.7°	60.0°
H2	C4	C3	H8	58.3°	60.0°
H3	C4	C3	H8	178.3°	180.0°
H4	C5	C3	H8	158.8°	65.0°
H5	C5	C3	H8	82.2°	175.0°
H7	C10	C9	H20	0.6°	0.0°
H8	C3	C1	H9	59.3°	180.0°
H9	C1	C2	H10	63.1°	180.0°
H9	C1	C2	H11	176.9°	60.0°
H9	C1	C2	H12	56.9°	60.0°
H9	C1	C	H13	64.3°	179.9°
H9	C1	C	H14	175.6°	60.1°
H9	C1	C	H15	55.7°	60.0°
H10	C2	H11	H12	120.0°	120.0°
H13	C	H14	H15	120.0°	120.0°
H17	C12	H18	H19	120.0°	120.0°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GBZ