EOK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	1.51Å	1.53Å
C12	O14	doub	1.22Å	1.19Å
C12	N11	sing	1.33Å	1.43Å
N11	C10	doub	1.33Å	1.44Å
C10	S09	sing	1.72Å	1.70Å
C10	N15	sing	1.35Å	1.49Å
S09	C02	sing	1.82Å	1.63Å
N15	N16	sing	1.38Å	1.53Å
C01	C02	sing	1.53Å	1.53Å
C02	N16	sing	1.47Å	1.58Å
C02	C03	sing	1.51Å	1.57Å
N16	C17	sing	1.35Å	1.44Å
C03	C04	doub	1.38Å	1.38Å	Aromatic
C03	C08	sing	1.38Å	1.39Å	Aromatic
C18	C17	sing	1.51Å	1.53Å
C17	O19	doub	1.21Å	1.19Å
C04	C05	sing	1.38Å	1.39Å	Aromatic
C08	C07	doub	1.38Å	1.38Å	Aromatic
C07	C06	sing	1.38Å	1.41Å	Aromatic
C05	C06	doub	1.38Å	1.39Å	Aromatic
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.08Å	1.08Å
C05	H8	sing	1.08Å	1.08Å
C06	H9	sing	1.08Å	1.08Å
C07	H10	sing	1.08Å	1.08Å
C08	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
N15	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	O14	123.7°	120.0°
C13	C12	N11	118.0°	120.0°
C12	C13	H1	109.5°	109.5°
C12	C13	H2	109.5°	109.4°
C12	C13	H3	109.4°	109.4°
O14	C12	N11	118.3°	120.0°
C12	N11	C10	122.3°	120.0°
N11	C10	S09	136.6°	125.7°
N11	C10	N15	113.7°	125.8°
S09	C10	N15	109.6°	108.5°
C10	S09	C02	100.7°	95.3°
C10	N15	N16	110.0°	119.1°
C10	N15	H15	125.0°	120.5°
S09	C02	C01	112.7°	110.5°
S09	C02	N16	107.6°	103.9°
S09	C02	C03	111.0°	110.6°
N15	N16	C02	108.7°	113.2°
N15	N16	C17	120.0°	123.4°
N16	N15	H15	125.0°	120.4°
C01	C02	N16	107.5°	110.5°
C01	C02	C03	108.3°	110.5°
C02	C01	H4	109.5°	109.4°
C02	C01	H5	109.5°	109.4°
C02	C01	H6	109.5°	109.4°
N16	C02	C03	109.7°	110.5°
C02	N16	C17	131.2°	123.4°
C02	C03	C04	119.3°	120.0°
C02	C03	C08	120.5°	120.0°
N16	C17	C18	115.8°	120.0°
N16	C17	O19	122.8°	120.0°
C04	C03	C08	120.1°	120.0°
C03	C04	C05	118.8°	120.0°
C03	C04	H7	120.6°	120.0°
C03	C08	C07	121.0°	120.0°
C03	C08	H11	119.5°	120.0°
C18	C17	O19	121.4°	120.0°
C17	C18	H12	109.5°	109.5°
C17	C18	H13	109.5°	109.5°
C17	C18	H14	109.5°	109.5°
C04	C05	C06	122.3°	120.0°
C05	C04	H7	120.6°	120.0°
C04	C05	H8	118.8°	120.0°
C08	C07	C06	119.8°	120.0°
C08	C07	H10	120.1°	120.0°
C07	C08	H11	119.5°	120.0°
C07	C06	C05	117.9°	120.0°
C07	C06	H9	121.0°	120.1°
C06	C07	H10	120.2°	120.0°
C06	C05	H8	118.9°	120.0°
C05	C06	H9	121.0°	120.0°
H1	C13	H2	109.5°	109.5°
H1	C13	H3	109.5°	109.5°
H2	C13	H3	109.4°	109.5°
H4	C01	H5	109.5°	109.5°
H4	C01	H6	109.4°	109.5°
H5	C01	H6	109.5°	109.5°
H12	C18	H13	109.5°	109.5°
H12	C18	H14	109.5°	109.4°
H13	C18	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	O14	N11	179.3°	179.9°
C13	C12	N11	C10	179.7°	180.0°
C12	C13	H1	H2	120.0°	120.0°
C12	C13	H1	H3	120.0°	120.0°
C12	C13	H2	H3	120.0°	119.9°
O14	C12	N11	C10	0.4°	0.1°
O14	C12	C13	H1	0.0°	0.0°
O14	C12	C13	H2	120.0°	120.1°
O14	C12	C13	H3	120.0°	120.0°
C12	N11	C10	S09	1.9°	0.0°
C12	N11	C10	N15	179.8°	179.7°
N11	C12	C13	H1	179.3°	180.0°
N11	C12	C13	H2	60.7°	60.0°
N11	C12	C13	H3	59.3°	60.0°
N11	C10	S09	N15	178.0°	179.8°
N11	C10	S09	C02	167.6°	179.8°
N11	C10	N15	N16	178.9°	179.8°
N11	C10	N15	H15	1.1°	0.2°
S09	C10	N15	N16	0.4°	0.0°
C10	S09	C02	C01	101.4°	118.6°
C10	S09	C02	N16	17.0°	0.0°
C10	S09	C02	C03	137.0°	118.7°
S09	C10	N15	H15	179.6°	180.0°
N15	C10	S09	C02	10.4°	0.0°
C10	N15	N16	H15	180.0°	179.9°
C10	N15	N16	C02	11.9°	0.0°
C10	N15	N16	C17	171.0°	180.0°
S09	C02	N16	N15	18.7°	0.0°
S09	C02	C01	N16	118.4°	114.5°
S09	C02	C01	C03	123.1°	122.8°
S09	C02	N16	C03	120.8°	118.7°
S09	C02	N16	C17	164.6°	180.0°
S09	C02	C03	C04	67.4°	107.3°
S09	C02	C03	C08	109.9°	72.4°
S09	C02	C01	H4	180.0°	54.5°
S09	C02	C01	H5	60.0°	65.5°
S09	C02	C01	H6	60.0°	174.5°
N15	N16	C02	C01	102.9°	118.6°
N15	N16	C02	C17	176.7°	180.0°
N15	N16	C02	C03	139.5°	118.7°
N15	N16	C17	C18	2.2°	5.0°
N15	N16	C17	O19	179.4°	175.0°
C01	C02	N16	C03	117.6°	122.7°
C01	C02	N16	C17	73.9°	61.4°
C01	C02	C03	C04	168.5°	15.5°
C01	C02	C03	C08	14.2°	164.8°
C02	C01	H4	H5	120.0°	119.9°
C02	C01	H4	H6	120.0°	120.0°
C02	C01	H5	H6	120.0°	120.0°
N16	C02	C03	C04	51.3°	138.1°
N16	C02	C03	C08	131.4°	42.1°
C02	N16	C17	C18	178.7°	175.1°
C02	N16	C17	O19	3.0°	5.0°
N16	C02	C01	H4	61.6°	60.0°
N16	C02	C01	H5	58.4°	180.0°
N16	C02	C01	H6	178.4°	60.0°
C02	N16	N15	H15	168.1°	180.0°
C03	C02	N16	C17	43.8°	61.3°
C02	C03	C04	C08	177.3°	179.7°
C02	C03	C04	C05	179.0°	180.0°
C02	C03	C08	C07	179.2°	179.7°
C03	C02	C01	H4	56.9°	177.3°
C03	C02	C01	H5	176.9°	57.4°
C03	C02	C01	H6	63.1°	62.6°
C02	C03	C04	H7	1.0°	0.0°
C02	C03	C08	H11	0.7°	0.0°
N16	C17	C18	O19	178.4°	180.0°
N16	C17	C18	H12	178.4°	179.9°
N16	C17	C18	H13	58.4°	60.0°
N16	C17	C18	H14	61.6°	60.0°
C17	N16	N15	H15	9.0°	0.0°
C03	C04	C05	H7	180.0°	179.9°
C04	C03	C08	C07	2.0°	0.6°
C03	C04	C05	C06	2.4°	0.1°
C03	C04	C05	H8	177.7°	180.0°
C04	C03	C08	H11	178.0°	179.7°
C08	C03	C04	C05	1.7°	0.3°
C03	C08	C07	H11	180.0°	179.7°
C03	C08	C07	C06	2.7°	0.6°
C08	C03	C04	H7	178.3°	179.7°
C03	C08	C07	H10	177.3°	179.8°
C17	C18	H12	H13	120.0°	120.0°
C17	C18	H12	H14	120.0°	120.0°
C17	C18	H13	H14	120.0°	120.0°
O19	C17	C18	H12	0.0°	0.0°
O19	C17	C18	H13	120.0°	120.0°
O19	C17	C18	H14	120.0°	120.0°
C04	C05	C06	C07	3.1°	0.1°
C04	C05	C06	H8	180.0°	180.0°
C04	C05	C06	H9	176.9°	180.0°
C08	C07	C06	H10	180.0°	179.7°
C08	C07	C06	C05	3.2°	0.3°
C08	C07	C06	H9	176.8°	179.8°
C07	C06	C05	H9	180.0°	179.9°
C07	C06	C05	H8	177.0°	180.0°
C06	C07	C08	H11	177.3°	179.7°
C06	C05	C04	H7	177.7°	180.0°
C05	C06	C07	H10	176.8°	180.0°
H1	C13	H2	H3	120.0°	120.0°
H4	C01	H5	H6	120.0°	120.1°
H7	C04	C05	H8	2.3°	0.0°
H8	C05	C06	H9	3.1°	0.1°
H9	C06	C07	H10	3.2°	0.1°
H10	C07	C08	H11	2.7°	0.0°
H12	C18	H13	H14	120.0°	120.0°

Release date:	2018-08-08
Definition date:	2018-04-04
Last modified:	2018-08-03
Release status:	REL
Processing site:	RCSB
Derived from:	6G6Y