ID7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	sing	1.53Å	1.51Å
C4	C3	sing	1.53Å	1.52Å
C5	N1	sing	1.47Å	1.47Å
C3	C2	sing	1.53Å	1.53Å
N1	C6	sing	1.47Å	1.47Å
C2	C6	sing	1.53Å	1.53Å
C2	C1	sing	1.51Å	1.52Å
O1	C1	doub	1.21Å	1.20Å
C1	O2	sing	1.34Å	1.20Å
O2	H1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
N1	H11	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	110.2°	109.2°
C4	C5	N1	111.3°	109.5°
C5	C4	H5	109.3°	109.5°
C5	C4	H6	109.3°	109.5°
C4	C5	H7	109.0°	109.4°
C4	C5	H8	109.0°	109.4°
C4	C3	C2	111.3°	109.2°
C4	C3	H3	109.0°	109.5°
C4	C3	H4	109.0°	109.5°
C3	C4	H5	109.3°	109.5°
C3	C4	H6	109.3°	109.5°
C5	N1	C6	110.6°	111.2°
N1	C5	H7	109.0°	109.5°
N1	C5	H8	109.0°	109.5°
C5	N1	H11	109.2°	110.9°
C3	C2	C6	110.4°	109.3°
C3	C2	C1	111.6°	109.5°
C3	C2	H2	107.6°	109.6°
C2	C3	H3	109.0°	109.6°
C2	C3	H4	109.0°	109.5°
N1	C6	C2	110.7°	109.5°
N1	C6	H9	109.2°	109.5°
N1	C6	H10	109.1°	109.5°
C6	N1	H11	109.2°	111.0°
C6	C2	C1	111.8°	109.5°
C6	C2	H2	107.7°	109.5°
C2	C6	H9	109.2°	109.5°
C2	C6	H10	109.2°	109.5°
C2	C1	O1	118.2°	120.0°
C2	C1	O2	118.4°	120.0°
C1	C2	H2	107.7°	109.5°
O1	C1	O2	123.3°	120.0°
C1	O2	H1	109.5°	117.0°
H3	C3	H4	109.5°	109.5°
H5	C4	H6	109.5°	109.6°
H7	C5	H8	109.5°	109.4°
H9	C6	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	H5	120.1°	120.0°
C5	C4	C3	H6	120.1°	119.9°
C4	C5	N1	H7	120.3°	120.0°
C4	C5	N1	H8	120.3°	120.0°
C5	C4	C3	C2	52.7°	57.6°
C4	C5	N1	C6	61.2°	61.8°
C5	C4	C3	H3	172.9°	62.3°
C5	C4	C3	H4	67.6°	177.6°
C5	C4	H5	H6	119.7°	120.1°
C4	C5	H7	H8	119.2°	119.9°
C4	C5	N1	H11	178.7°	174.1°
C3	C4	C5	N1	56.9°	59.2°
C4	C3	C2	H3	120.3°	119.9°
C4	C3	C2	H4	120.3°	119.9°
C4	C3	C2	C6	52.5°	57.7°
C4	C3	C2	C1	177.4°	177.6°
C4	C3	C2	H2	64.7°	62.3°
C4	C3	H3	H4	119.2°	120.1°
C3	C4	H5	H6	119.6°	120.1°
C3	C4	C5	H7	63.4°	60.9°
C3	C4	C5	H8	177.1°	179.2°
C5	N1	C6	H11	120.2°	124.0°
C5	N1	C6	C2	60.5°	61.8°
N1	C5	C4	H5	63.2°	179.1°
N1	C5	C4	H6	177.0°	60.7°
N1	C5	H7	H8	119.2°	120.0°
C5	N1	C6	H9	59.7°	178.2°
C5	N1	C6	H10	179.3°	58.3°
C3	C2	C6	N1	56.1°	59.2°
C3	C2	C6	C1	124.8°	119.9°
C3	C2	C6	H2	117.2°	120.0°
C3	C2	C1	H2	117.8°	120.1°
C3	C2	C1	O1	64.7°	0.0°
C3	C2	C1	O2	114.6°	179.8°
C2	C3	H3	H4	119.2°	120.2°
C2	C3	C4	H5	67.4°	177.6°
C2	C3	C4	H6	172.8°	62.2°
C3	C2	C6	H9	64.1°	179.2°
C3	C2	C6	H10	176.2°	60.8°
N1	C6	C2	H9	120.2°	120.0°
N1	C6	C2	H10	120.2°	120.0°
N1	C6	C2	C1	179.1°	179.1°
N1	C6	C2	H2	61.1°	60.8°
C6	N1	C5	H7	59.1°	58.2°
C6	N1	C5	H8	178.6°	178.2°
N1	C6	H9	H10	119.4°	119.9°
C6	C2	C1	H2	118.0°	120.1°
C6	C2	C1	O1	171.1°	119.7°
C6	C2	C1	O2	9.5°	60.0°
C6	C2	C3	H3	172.7°	62.2°
C6	C2	C3	H4	67.8°	177.6°
C2	C6	H9	H10	119.5°	120.0°
C2	C6	N1	H11	179.3°	174.2°
C2	C1	O1	O2	179.3°	179.8°
C2	C1	O2	H1	179.3°	179.7°
C1	C2	C3	H3	62.4°	57.7°
C1	C2	C3	H4	57.1°	62.5°
C1	C2	C6	H9	60.7°	60.9°
C1	C2	C6	H10	59.0°	59.1°
O1	C1	O2	H1	0.0°	0.0°
O1	C1	C2	H2	53.1°	120.2°
O2	C1	C2	H2	127.6°	60.1°
H2	C2	C3	H3	55.5°	177.8°
H2	C2	C3	H4	175.0°	57.6°
H2	C2	C6	H9	178.7°	59.2°
H2	C2	C6	H10	59.1°	179.2°
H3	C3	C4	H5	52.8°	57.7°
H3	C3	C4	H6	67.0°	177.9°
H4	C3	C4	H5	172.3°	62.5°
H4	C3	C4	H6	52.5°	57.7°
H5	C4	C5	H7	176.5°	59.0°
H5	C4	C5	H8	57.0°	60.9°
H6	C4	C5	H7	56.7°	179.2°
H6	C4	C5	H8	62.8°	59.3°
H7	C5	N1	H11	61.1°	65.8°
H8	C5	N1	H11	58.4°	54.2°
H9	C6	N1	H11	60.4°	54.1°
H10	C6	N1	H11	59.2°	65.8°

Release date:	2023-04-26
Definition date:	2022-06-27
Last modified:	2023-04-21
Release status:	REL
Processing site:	PDBJ
Derived from:	7Y7Y