8AB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C09	doub	1.38Å	1.45Å	Aromatic
C10	C11	sing	1.39Å	1.36Å	Aromatic
C09	C08	sing	1.39Å	1.40Å	Aromatic
C11	C12	doub	1.38Å	1.42Å	Aromatic
C05	N04	sing	1.47Å	1.50Å
C05	C06	sing	1.53Å	1.55Å
C08	N04	sing	1.39Å	1.48Å
C08	N14	doub	1.32Å	1.30Å	Aromatic
C12	N14	sing	1.32Å	1.36Å	Aromatic
C12	C13	sing	1.51Å	1.55Å
N04	C03	sing	1.47Å	1.51Å
C06	N07	sing	1.47Å	1.42Å
C03	C02	sing	1.53Å	1.55Å
N07	C02	sing	1.47Å	1.43Å
C02	C01	sing	1.53Å	1.51Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C02	H8	sing	1.09Å	1.10Å
C03	H9	sing	1.09Å	1.10Å
C03	H10	sing	1.09Å	1.10Å
C05	H11	sing	1.09Å	1.10Å
C05	H12	sing	1.09Å	1.10Å
C06	H13	sing	1.09Å	1.10Å
C06	H14	sing	1.09Å	1.10Å
N07	H15	sing	1.01Å	1.00Å
C09	H17	sing	1.08Å	1.08Å
C11	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C10	C11	117.5°	118.5°
C10	C09	C08	120.3°	119.1°
C09	C10	H1	121.3°	120.8°
C10	C09	H17	119.9°	120.4°
C10	C11	C12	119.6°	119.3°
C11	C10	H1	121.3°	120.7°
C10	C11	H18	120.2°	120.4°
C09	C08	N04	121.0°	119.7°
C09	C08	N14	119.8°	120.6°
C08	C09	H17	119.9°	120.5°
C11	C12	N14	120.3°	120.8°
C11	C12	C13	120.4°	119.6°
C12	C11	H18	120.2°	120.3°
N04	C05	C06	110.4°	109.4°
C05	N04	C08	121.9°	111.0°
C05	N04	C03	109.7°	110.9°
N04	C05	H11	109.2°	109.5°
N04	C05	H12	109.2°	109.5°
C05	C06	N07	114.7°	109.4°
C06	C05	H11	109.2°	109.5°
C06	C05	H12	109.2°	109.5°
C05	C06	H13	108.2°	109.5°
C05	C06	H14	108.1°	109.5°
N04	C08	N14	119.1°	119.7°
C08	N04	C03	119.6°	111.0°
C08	N14	C12	122.5°	121.6°
N14	C12	C13	119.3°	119.6°
C12	C13	H2	109.5°	109.5°
C12	C13	H3	109.5°	109.5°
C12	C13	H4	109.5°	109.5°
N04	C03	C02	112.2°	109.4°
N04	C03	H9	108.8°	109.5°
N04	C03	H10	108.8°	109.5°
C06	N07	C02	118.2°	110.9°
N07	C06	H13	108.2°	109.4°
N07	C06	H14	108.2°	109.4°
C06	N07	H15	107.3°	111.0°
C03	C02	N07	112.8°	109.4°
C03	C02	C01	108.8°	109.5°
C03	C02	H8	108.0°	109.5°
C02	C03	H9	108.8°	109.5°
C02	C03	H10	108.8°	109.5°
N07	C02	C01	108.9°	109.5°
N07	C02	H8	109.6°	109.5°
C02	N07	H15	107.2°	111.1°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.4°	109.5°
C01	C02	H8	108.6°	109.5°
H2	C13	H3	109.5°	109.5°
H2	C13	H4	109.4°	109.5°
H3	C13	H4	109.5°	109.5°
H5	C01	H6	109.5°	109.4°
H5	C01	H7	109.5°	109.4°
H6	C01	H7	109.5°	109.5°
H9	C03	H10	109.4°	109.6°
H11	C05	H12	109.5°	109.5°
H13	C06	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C10	C11	H1	180.0°	179.7°
C10	C09	C08	H17	180.0°	180.0°
C09	C10	C11	C12	3.5°	0.0°
C10	C09	C08	N04	179.7°	180.0°
C10	C09	C08	N14	1.1°	0.0°
C09	C10	C11	H18	176.5°	180.0°
C11	C10	C09	C08	3.0°	0.0°
C10	C11	C12	H18	180.0°	180.0°
C10	C11	C12	N14	2.4°	0.0°
C10	C11	C12	C13	179.9°	180.0°
C11	C10	C09	H17	177.0°	180.0°
C09	C08	N04	C05	14.8°	56.2°
C09	C08	N04	N14	178.7°	180.0°
C09	C08	N14	C12	0.2°	0.1°
C09	C08	N04	C03	129.4°	180.0°
C08	C09	C10	H1	177.1°	179.7°
C11	C12	N14	C08	0.5°	0.0°
C11	C12	N14	C13	177.7°	180.0°
C12	C11	C10	H1	176.5°	179.7°
C11	C12	C13	H2	177.7°	90.0°
C11	C12	C13	H3	57.7°	150.0°
C11	C12	C13	H4	62.4°	30.0°
N04	C05	C06	H11	120.1°	119.9°
N04	C05	C06	H12	120.1°	120.0°
C05	N04	C08	C03	144.1°	123.8°
C05	N04	C08	N14	166.6°	123.8°
N04	C05	C06	N07	49.2°	58.4°
C05	N04	C03	C02	56.3°	59.3°
C05	N04	C03	H9	64.1°	179.2°
C05	N04	C03	H10	176.8°	60.6°
N04	C05	H11	H12	119.6°	120.1°
N04	C05	C06	H13	71.6°	61.6°
N04	C05	C06	H14	170.0°	178.3°
C06	C05	N04	C08	157.4°	176.8°
C06	C05	N04	C03	55.3°	59.3°
C05	C06	N07	H13	120.8°	120.0°
C05	C06	N07	H14	120.8°	120.0°
C05	C06	N07	C02	43.8°	59.3°
C06	C05	H11	H12	119.6°	120.1°
C05	C06	H13	H14	117.6°	120.1°
C05	C06	N07	H15	165.0°	176.8°
N04	C08	N14	C12	178.5°	180.0°
C08	N04	C03	C02	155.6°	176.8°
C08	N04	C03	H9	84.0°	56.9°
C08	N04	C03	H10	35.1°	63.2°
C08	N04	C05	H11	37.3°	56.9°
C08	N04	C05	H12	82.4°	63.2°
N04	C08	C09	H17	0.3°	0.0°
C08	N14	C12	C13	178.1°	179.9°
N14	C08	N04	C03	49.3°	0.0°
N14	C08	C09	H17	178.9°	179.9°
N14	C12	C13	H2	0.0°	90.0°
N14	C12	C13	H3	120.0°	30.0°
N14	C12	C13	H4	120.0°	150.0°
N14	C12	C11	H18	177.6°	180.0°
C12	C13	H2	H3	120.0°	120.0°
C12	C13	H2	H4	120.0°	120.0°
C12	C13	H3	H4	120.0°	120.0°
C13	C12	C11	H18	0.1°	0.0°
N04	C03	C02	H9	120.4°	119.9°
N04	C03	C02	H10	120.4°	120.0°
N04	C03	C02	N07	49.0°	58.4°
N04	C03	C02	C01	170.0°	178.4°
N04	C03	C02	H8	72.4°	61.6°
N04	C03	H9	H10	118.7°	120.1°
C03	N04	C05	H11	175.4°	179.3°
C03	N04	C05	H12	64.8°	60.6°
C06	N07	C02	C03	43.0°	59.3°
C06	N07	C02	H15	121.3°	123.9°
C06	N07	C02	C01	163.9°	179.3°
C06	N07	C02	H8	77.4°	60.7°
N07	C06	C05	H11	169.4°	178.3°
N07	C06	C05	H12	70.9°	61.6°
N07	C06	H13	H14	117.7°	120.0°
C03	C02	N07	C01	120.9°	120.0°
C03	C02	N07	H8	120.4°	120.0°
C03	C02	C01	H8	117.3°	120.1°
C03	C02	C01	H5	180.0°	60.0°
C03	C02	C01	H6	60.0°	180.0°
C03	C02	C01	H7	60.0°	59.9°
C02	C03	H9	H10	118.8°	120.0°
C03	C02	N07	H15	164.3°	176.9°
N07	C02	C01	H8	119.3°	120.0°
N07	C02	C01	H5	56.6°	180.0°
N07	C02	C01	H6	63.4°	60.1°
N07	C02	C01	H7	176.6°	60.0°
N07	C02	C03	H9	71.4°	178.3°
N07	C02	C03	H10	169.4°	61.6°
C02	N07	C06	H13	77.0°	60.7°
C02	N07	C06	H14	164.6°	179.3°
C02	C01	H5	H6	120.0°	120.0°
C02	C01	H5	H7	120.0°	120.0°
C02	C01	H6	H7	120.0°	120.0°
C01	C02	C03	H9	49.5°	61.7°
C01	C02	C03	H10	69.6°	58.4°
C01	C02	N07	H15	74.8°	56.9°
H1	C10	C09	H17	2.9°	0.3°
H1	C10	C11	H18	3.5°	0.3°
H2	C13	H3	H4	120.0°	120.0°
H5	C01	H6	H7	120.0°	120.0°
H5	C01	C02	H8	62.7°	60.0°
H6	C01	C02	H8	177.3°	60.0°
H7	C01	C02	H8	57.3°	180.0°
H8	C02	C03	H9	167.2°	58.4°
H8	C02	C03	H10	48.1°	178.5°
H8	C02	N07	H15	43.8°	63.2°
H11	C05	C06	H13	48.6°	58.4°
H11	C05	C06	H14	69.9°	61.7°
H12	C05	C06	H13	168.3°	178.5°
H12	C05	C06	H14	49.9°	58.3°
H13	C06	N07	H15	44.3°	63.2°
H14	C06	N07	H15	74.2°	56.8°

Release date:	2021-09-22
Definition date:	2021-09-14
Last modified:	2021-09-17
Release status:	REL
Processing site:	RCSB
Derived from:	5SBM