6HM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	doub	1.38Å	1.39Å	Aromatic
C02	C03	sing	1.38Å	1.39Å	Aromatic
C01	C06	sing	1.38Å	1.39Å	Aromatic
C03	C04	doub	1.39Å	1.39Å	Aromatic
C06	C05	doub	1.38Å	1.39Å	Aromatic
O20	C18	doub	1.21Å	1.26Å
C04	C05	sing	1.39Å	1.39Å	Aromatic
C04	C07	sing	1.48Å	1.52Å
O16	C15	doub	1.21Å	1.26Å
C13	C14	sing	1.53Å	1.53Å
C13	C12	sing	1.51Å	1.53Å
C18	C14	sing	1.51Å	1.52Å
C18	O19	sing	1.34Å	1.26Å
C07	C12	doub	1.39Å	1.40Å	Aromatic
C07	C08	sing	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.51Å	1.51Å
C15	O17	sing	1.34Å	1.26Å
C12	C11	sing	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.38Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.08Å	1.08Å
C02	H5	sing	1.08Å	1.08Å
C03	H6	sing	1.08Å	1.08Å
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	1.08Å	1.08Å
C14	H12	sing	1.09Å	1.10Å
O17	H13	sing	0.97Å	0.95Å
O19	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	120.2°	120.1°
C02	C01	C06	119.9°	120.2°
C02	C01	H4	120.1°	119.9°
C01	C02	H5	119.9°	120.0°
C02	C03	C04	120.2°	119.9°
C03	C02	H5	119.9°	119.9°
C02	C03	H6	119.9°	120.1°
C01	C06	C05	119.8°	120.1°
C06	C01	H4	120.1°	119.9°
C01	C06	H8	120.1°	120.0°
C03	C04	C05	119.3°	119.7°
C03	C04	C07	121.0°	120.1°
C04	C03	H6	119.9°	120.0°
C06	C05	C04	120.7°	119.9°
C06	C05	H7	119.6°	120.0°
C05	C06	H8	120.1°	119.9°
O20	C18	C14	119.4°	120.0°
O20	C18	O19	119.5°	120.1°
C05	C04	C07	119.7°	120.2°
C04	C05	H7	119.7°	120.1°
C04	C07	C12	123.8°	120.1°
C04	C07	C08	116.6°	120.1°
O16	C15	C14	120.7°	120.0°
O16	C15	O17	120.3°	120.0°
C14	C13	C12	115.3°	109.5°
C13	C14	C18	112.7°	109.4°
C13	C14	C15	114.1°	109.5°
C14	C13	H2	108.0°	109.4°
C14	C13	H3	108.0°	109.5°
C13	C14	H12	106.6°	109.4°
C13	C12	C07	122.3°	120.1°
C13	C12	C11	119.2°	120.1°
C12	C13	H2	108.0°	109.5°
C12	C13	H3	108.0°	109.5°
C14	C18	O19	121.1°	119.9°
C18	C14	C15	109.5°	109.5°
C18	C14	H12	106.7°	109.5°
C18	O19	H14	109.5°	117.0°
C12	C07	C08	119.6°	119.8°
C07	C12	C11	118.5°	119.9°
C07	C08	C09	121.1°	119.9°
C07	C08	H9	119.4°	120.0°
C14	C15	O17	119.0°	120.0°
C15	C14	H12	106.7°	109.5°
C15	O17	H13	109.5°	117.0°
C12	C11	C10	121.6°	120.2°
C12	C11	H11	119.2°	119.9°
C08	C09	C10	119.5°	120.1°
C09	C08	H9	119.4°	120.1°
C08	C09	H10	120.2°	119.9°
C11	C10	C09	119.6°	120.2°
C11	C10	H1	120.2°	119.9°
C10	C11	H11	119.2°	119.9°
C09	C10	H1	120.2°	119.8°
C10	C09	H10	120.2°	120.0°
H2	C13	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	H5	180.0°	180.0°
C02	C01	C06	H4	180.0°	179.7°
C01	C02	C03	C04	0.9°	0.1°
C02	C01	C06	C05	0.1°	0.0°
C01	C02	C03	H6	179.1°	180.0°
C02	C01	C06	H8	179.9°	179.7°
C03	C02	C01	C06	0.1°	0.0°
C02	C03	C04	H6	180.0°	179.9°
C02	C03	C04	C05	1.6°	0.1°
C02	C03	C04	C07	179.3°	179.9°
C03	C02	C01	H4	179.9°	179.7°
C01	C06	C05	H8	180.0°	179.7°
C01	C06	C05	C04	0.8°	0.1°
C06	C01	C02	H5	179.9°	180.0°
C01	C06	C05	H7	179.2°	179.9°
C03	C04	C05	C06	1.6°	0.1°
C03	C04	C05	C07	177.7°	180.0°
C03	C04	C07	C12	69.8°	123.3°
C03	C04	C07	C08	110.1°	56.9°
C04	C03	C02	H5	179.1°	179.9°
C03	C04	C05	H7	178.4°	180.0°
C06	C05	C04	H7	180.0°	179.9°
C06	C05	C04	C07	179.3°	179.9°
C05	C06	C01	H4	179.9°	179.7°
O20	C18	C14	C13	75.3°	35.8°
O20	C18	C14	O19	179.9°	180.0°
O20	C18	C14	C15	52.9°	84.2°
O20	C18	C14	H12	168.1°	155.7°
O20	C18	O19	H14	0.0°	0.0°
C05	C04	C07	C12	112.5°	56.6°
C05	C04	C07	C08	67.6°	123.1°
C05	C04	C03	H6	178.4°	180.0°
C04	C05	C06	H8	179.2°	179.8°
C04	C07	C12	C13	0.0°	0.0°
C04	C07	C12	C08	179.9°	179.8°
C04	C07	C12	C11	179.8°	180.0°
C04	C07	C08	C09	179.7°	180.0°
C07	C04	C03	H6	0.8°	0.1°
C07	C04	C05	H7	0.8°	0.1°
C04	C07	C08	H9	0.3°	0.0°
O16	C15	C14	C13	15.8°	0.1°
O16	C15	C14	C18	111.6°	120.0°
O16	C15	C14	O17	179.6°	179.9°
O16	C15	C14	H12	133.3°	119.9°
O16	C15	O17	H13	0.0°	0.1°
C14	C13	C12	H2	120.8°	120.0°
C14	C13	C12	H3	120.8°	120.0°
C13	C14	C18	C15	128.2°	120.0°
C13	C14	C18	H12	116.7°	120.0°
C13	C14	C18	O19	104.8°	144.2°
C14	C13	C12	C07	158.3°	78.2°
C13	C14	C15	H12	117.4°	120.0°
C13	C14	C15	O17	163.8°	180.0°
C14	C13	C12	C11	21.9°	101.8°
C14	C13	H2	H3	117.3°	120.0°
C12	C13	C14	C18	155.1°	65.7°
C13	C12	C07	C11	179.8°	180.0°
C13	C12	C07	C08	179.9°	179.8°
C12	C13	C14	C15	79.2°	174.4°
C13	C12	C11	C10	179.8°	180.0°
C12	C13	H2	H3	117.3°	120.0°
C13	C12	C11	H11	0.2°	0.0°
C12	C13	C14	H12	38.3°	54.3°
C18	C14	C15	H12	115.1°	120.1°
C18	C14	C15	O17	68.7°	60.1°
C18	C14	C13	H2	34.2°	174.3°
C18	C14	C13	H3	84.1°	54.4°
C14	C18	O19	H14	179.9°	180.0°
O19	C18	C14	C15	127.0°	95.8°
O19	C18	C14	H12	11.9°	24.3°
C12	C07	C08	C09	0.2°	0.2°
C07	C12	C11	C10	0.0°	0.0°
C07	C12	C13	H2	37.5°	41.7°
C07	C12	C13	H3	80.8°	161.8°
C12	C07	C08	H9	179.7°	179.7°
C07	C12	C11	H11	180.0°	180.0°
C08	C07	C12	C11	0.1°	0.2°
C07	C08	C09	H9	180.0°	180.0°
C07	C08	C09	C10	0.2°	0.0°
C07	C08	C09	H10	179.8°	180.0°
C15	C14	C13	H2	160.0°	54.4°
C15	C14	C13	H3	41.7°	65.6°
C14	C15	O17	H13	179.6°	179.9°
O17	C15	C14	H12	46.4°	60.0°
C12	C11	C10	H11	180.0°	180.0°
C12	C11	C10	C09	0.0°	0.3°
C12	C11	C10	H1	180.0°	180.0°
C11	C12	C13	H2	142.7°	138.2°
C11	C12	C13	H3	99.0°	18.2°
C08	C09	C10	C11	0.1°	0.3°
C08	C09	C10	H10	180.0°	180.0°
C08	C09	C10	H1	179.9°	180.0°
C11	C10	C09	H1	180.0°	179.7°
C11	C10	C09	H10	179.9°	179.7°
C10	C09	C08	H9	179.7°	180.0°
C09	C10	C11	H11	180.0°	179.7°
H1	C10	C09	H10	0.1°	0.1°
H1	C10	C11	H11	0.0°	0.0°
H2	C13	C14	H12	82.5°	65.7°
H3	C13	C14	H12	159.2°	174.4°
H4	C01	C02	H5	0.1°	0.3°
H4	C01	C06	H8	0.1°	0.0°
H5	C02	C03	H6	0.9°	0.1°
H7	C05	C06	H8	0.8°	0.4°
H9	C08	C09	H10	0.3°	0.0°

Release date:	2016-11-30
Definition date:	2016-04-12
Last modified:	2016-11-25
Release status:	REL
Processing site:	EBI
Derived from:	5JA7