EH1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	1.27Å
C02	O03	sing	1.35Å	1.26Å
C02	C04	sing	1.48Å	1.51Å
C09	C04	doub	1.40Å	1.41Å	Aromatic
C09	C08	sing	1.38Å	1.40Å	Aromatic
C04	C05	sing	1.40Å	1.39Å	Aromatic
C08	C07	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.53Å	1.51Å
C15	C10	sing	1.53Å	1.51Å
C05	C06	doub	1.38Å	1.39Å	Aromatic
C07	C06	sing	1.38Å	1.39Å	Aromatic
C07	C10	sing	1.51Å	1.52Å
C14	C13	sing	1.53Å	1.51Å
C10	C11	sing	1.53Å	1.54Å
C13	C12	sing	1.53Å	1.51Å
C11	C12	sing	1.53Å	1.51Å
C10	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
O03	H6	sing	0.97Å	0.95Å
C05	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C09	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	O03	122.1°	120.0°
O01	C02	C04	117.5°	120.0°
O03	C02	C04	120.2°	120.0°
C02	O03	H6	109.5°	117.0°
C02	C04	C09	120.2°	120.2°
C02	C04	C05	119.6°	120.1°
C04	C09	C08	119.7°	119.9°
C09	C04	C05	120.2°	119.7°
C04	C09	H10	120.1°	120.1°
C09	C08	C07	119.8°	120.1°
C09	C08	H9	120.1°	119.9°
C08	C09	H10	120.1°	120.0°
C04	C05	C06	119.3°	119.8°
C04	C05	H7	120.4°	120.1°
C08	C07	C06	120.3°	120.3°
C08	C07	C10	120.6°	119.8°
C07	C08	H9	120.1°	120.0°
C14	C15	C10	110.8°	109.5°
C15	C14	C13	111.1°	109.5°
C14	C15	H4	109.1°	109.5°
C14	C15	H5	109.1°	109.5°
C15	C14	H15	109.1°	109.5°
C15	C14	H16	109.1°	109.5°
C15	C10	C07	114.9°	109.5°
C15	C10	C11	109.9°	109.5°
C15	C10	H1	109.5°	109.5°
C10	C15	H4	109.2°	109.5°
C10	C15	H5	109.1°	109.5°
C05	C06	C07	120.7°	120.1°
C06	C05	H7	120.3°	120.1°
C05	C06	H8	119.6°	119.9°
C06	C07	C10	119.1°	119.9°
C07	C06	H8	119.7°	119.9°
C07	C10	C11	103.9°	109.5°
C07	C10	H1	109.3°	109.4°
C14	C13	C12	112.0°	109.5°
C14	C13	H2	108.8°	109.5°
C14	C13	H3	108.8°	109.5°
C13	C14	H15	109.1°	109.5°
C13	C14	H16	109.1°	109.5°
C10	C11	C12	112.9°	109.5°
C11	C10	H1	109.1°	109.5°
C10	C11	H11	108.6°	109.5°
C10	C11	H12	108.6°	109.5°
C13	C12	C11	114.1°	109.5°
C12	C13	H2	108.9°	109.5°
C12	C13	H3	108.9°	109.4°
C13	C12	H13	108.3°	109.5°
C13	C12	H14	108.3°	109.4°
C12	C11	H11	108.6°	109.5°
C12	C11	H12	108.6°	109.5°
C11	C12	H13	108.3°	109.5°
C11	C12	H14	108.3°	109.5°
H2	C13	H3	109.5°	109.5°
H4	C15	H5	109.5°	109.4°
H11	C11	H12	109.5°	109.5°
H13	C12	H14	109.5°	109.5°
H15	C14	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	O03	C04	174.7°	180.0°
O01	C02	C04	C09	12.4°	179.8°
O01	C02	C04	C05	165.9°	0.0°
O01	C02	O03	H6	0.0°	0.1°
O03	C02	C04	C09	172.6°	0.2°
O03	C02	C04	C05	9.0°	180.0°
C02	C04	C09	C05	178.3°	179.8°
C02	C04	C09	C08	177.7°	179.7°
C02	C04	C05	C06	177.9°	180.0°
C04	C02	O03	H6	174.7°	180.0°
C02	C04	C05	H7	2.1°	0.0°
C02	C04	C09	H10	2.2°	0.1°
C04	C09	C08	H10	180.0°	179.8°
C04	C09	C08	C07	0.4°	0.5°
C09	C04	C05	C06	0.5°	0.2°
C09	C04	C05	H7	179.5°	179.8°
C04	C09	C08	H9	179.6°	179.7°
C08	C09	C04	C05	0.6°	0.5°
C09	C08	C07	H9	180.0°	179.8°
C09	C08	C07	C06	0.1°	0.2°
C09	C08	C07	C10	179.6°	179.8°
C04	C05	C06	H7	180.0°	180.0°
C04	C05	C06	C07	0.1°	0.0°
C04	C05	C06	H8	179.9°	179.9°
C05	C04	C09	H10	179.4°	179.8°
C08	C07	C10	C15	45.3°	60.0°
C08	C07	C06	C05	0.2°	0.0°
C08	C07	C06	C10	179.7°	180.0°
C08	C07	C10	C11	74.8°	60.0°
C08	C07	C10	H1	168.8°	180.0°
C08	C07	C06	H8	179.8°	179.9°
C07	C08	C09	H10	179.7°	179.8°
C14	C15	C10	H4	120.2°	120.0°
C14	C15	C10	H5	120.2°	120.0°
C14	C15	C10	C07	175.5°	180.0°
C15	C14	C13	H15	120.3°	120.0°
C15	C14	C13	H16	120.2°	120.0°
C14	C15	C10	C11	58.8°	60.0°
C15	C14	C13	C12	53.8°	59.9°
C14	C15	C10	H1	61.1°	60.0°
C15	C14	C13	H2	66.6°	180.0°
C15	C14	C13	H3	174.1°	60.0°
C14	C15	H4	H5	119.3°	120.0°
C15	C14	H15	H16	119.2°	120.0°
C15	C10	C07	C06	135.1°	120.0°
C15	C10	C07	C11	120.1°	120.0°
C15	C10	C07	H1	123.5°	120.0°
C10	C15	C14	C13	60.3°	60.0°
C15	C10	C11	H1	120.0°	120.0°
C15	C10	C11	C12	52.3°	60.0°
C10	C15	H4	H5	119.4°	120.0°
C15	C10	C11	H11	172.8°	180.0°
C15	C10	C11	H12	68.2°	60.0°
C10	C15	C14	H15	179.4°	60.0°
C10	C15	C14	H16	59.9°	180.0°
C05	C06	C07	H8	180.0°	179.9°
C05	C06	C07	C10	179.4°	180.0°
C06	C07	C10	C11	104.8°	120.0°
C06	C07	C10	H1	11.5°	0.0°
C07	C06	C05	H7	180.0°	180.0°
C06	C07	C08	H9	180.0°	179.9°
C07	C10	C11	H1	116.5°	120.0°
C07	C10	C11	C12	175.8°	180.0°
C07	C10	C15	H4	64.3°	60.0°
C07	C10	C15	H5	55.3°	59.9°
C10	C07	C06	H8	0.6°	0.1°
C10	C07	C08	H9	0.4°	0.1°
C07	C10	C11	H11	63.7°	60.0°
C07	C10	C11	H12	55.3°	60.0°
C14	C13	C12	H2	120.4°	120.0°
C14	C13	C12	H3	120.4°	120.0°
C14	C13	C12	C11	47.9°	60.0°
C14	C13	H2	H3	118.8°	120.0°
C13	C14	C15	H4	179.4°	60.1°
C13	C14	C15	H5	59.9°	180.0°
C14	C13	C12	H13	168.5°	180.0°
C14	C13	C12	H14	72.8°	60.0°
C13	C14	H15	H16	119.3°	120.0°
C10	C11	C12	C13	47.5°	60.0°
C10	C11	C12	H11	120.5°	120.0°
C10	C11	C12	H12	120.5°	120.0°
C11	C10	C15	H4	179.0°	60.1°
C11	C10	C15	H5	61.4°	180.0°
C10	C11	H11	H12	118.4°	120.0°
C10	C11	C12	H13	168.2°	180.0°
C10	C11	C12	H14	73.2°	60.0°
C13	C12	C11	H13	120.7°	120.0°
C13	C12	C11	H14	120.7°	120.0°
C12	C13	H2	H3	118.9°	120.0°
C13	C12	C11	H11	168.0°	180.0°
C13	C12	C11	H12	73.0°	60.0°
C13	C12	H13	H14	117.9°	120.0°
C12	C13	C14	H15	174.0°	60.0°
C12	C13	C14	H16	66.5°	180.0°
C12	C11	C10	H1	67.7°	60.0°
C11	C12	C13	H2	72.5°	180.0°
C11	C12	C13	H3	168.2°	60.0°
C12	C11	H11	H12	118.4°	120.0°
C11	C12	H13	H14	117.9°	120.0°
H1	C10	C15	H4	59.2°	180.0°
H1	C10	C15	H5	178.8°	60.0°
H1	C10	C11	H11	52.8°	60.0°
H1	C10	C11	H12	171.8°	180.0°
H2	C13	C12	H13	48.2°	60.0°
H2	C13	C12	H14	166.8°	60.0°
H2	C13	C14	H15	53.6°	60.0°
H2	C13	C14	H16	173.1°	60.0°
H3	C13	C12	H13	71.1°	60.0°
H3	C13	C12	H14	47.6°	180.0°
H3	C13	C14	H15	65.6°	180.0°
H3	C13	C14	H16	53.9°	60.0°
H4	C15	C14	H15	59.2°	179.9°
H4	C15	C14	H16	60.3°	59.9°
H5	C15	C14	H15	60.4°	60.0°
H5	C15	C14	H16	179.9°	60.0°
H7	C05	C06	H8	0.0°	0.1°
H9	C08	C09	H10	0.3°	0.1°
H11	C11	C12	H13	71.3°	60.0°
H11	C11	C12	H14	47.3°	60.0°
H12	C11	C12	H13	47.7°	60.0°
H12	C11	C12	H14	166.3°	180.0°

Release date:	2019-01-16
Definition date:	2018-01-10
Last modified:	2019-01-11
Release status:	REL
Processing site:	RCSB
Derived from:	6C2D