RKY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	sing	1.52Å	1.47Å
C15	O16	sing	1.43Å	1.39Å
C14	C13	sing	1.52Å	1.55Å
O16	C17	sing	1.36Å	1.46Å
C13	O12	sing	1.43Å	1.41Å
O12	C11	sing	1.36Å	1.43Å
C17	C11	doub	1.39Å	1.38Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.39Å	1.39Å	Aromatic
C18	C08	doub	1.40Å	1.37Å	Aromatic
O03	C02	doub	1.21Å	1.24Å
C10	C09	doub	1.38Å	1.36Å	Aromatic
C08	C09	sing	1.40Å	1.40Å	Aromatic
C08	C06	sing	1.47Å	1.55Å
O01	C02	sing	1.34Å	1.26Å
C02	C04	sing	1.51Å	1.54Å
O07	C06	doub	1.21Å	1.17Å
C06	C05	sing	1.51Å	1.59Å
C05	C04	sing	1.53Å	1.57Å
C10	H1	sing	1.08Å	1.08Å
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
O01	H6	sing	0.97Å	0.95Å
C04	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C15	O16	111.1°	110.8°
C15	C14	C13	109.6°	112.4°
C14	C15	H4	109.1°	109.2°
C14	C15	H5	109.1°	109.3°
C15	C14	H12	109.4°	108.9°
C15	C14	H13	109.4°	108.9°
C15	O16	C17	112.5°	115.9°
O16	C15	H4	109.1°	109.2°
O16	C15	H5	109.1°	109.2°
C14	C13	O12	111.0°	110.8°
C14	C13	H2	109.1°	109.2°
C14	C13	H3	109.1°	109.2°
C13	C14	H12	109.5°	108.9°
C13	C14	H13	109.4°	108.9°
O16	C17	C11	122.2°	119.6°
O16	C17	C18	118.0°	120.2°
C13	O12	C11	118.5°	115.9°
O12	C13	H2	109.1°	109.2°
O12	C13	H3	109.1°	109.2°
O12	C11	C17	122.8°	119.6°
O12	C11	C10	117.3°	120.1°
C11	C17	C18	119.9°	120.3°
C17	C11	C10	119.9°	120.3°
C17	C18	C08	119.7°	119.6°
C17	C18	H14	120.1°	120.2°
C11	C10	C09	120.3°	120.0°
C11	C10	H1	119.8°	120.0°
C18	C08	C09	120.4°	119.8°
C18	C08	C06	119.0°	120.0°
C08	C18	H14	120.1°	120.2°
O03	C02	O01	119.9°	120.0°
O03	C02	C04	119.0°	120.0°
C10	C09	C08	119.8°	120.1°
C09	C10	H1	119.8°	120.0°
C10	C09	H11	120.1°	120.0°
C09	C08	C06	120.7°	120.1°
C08	C09	H11	120.1°	119.9°
C08	C06	O07	120.7°	120.0°
C08	C06	C05	120.1°	120.0°
O01	C02	C04	121.1°	120.0°
C02	O01	H6	109.5°	117.0°
C02	C04	C05	113.5°	109.5°
C02	C04	H7	108.5°	109.5°
C02	C04	H8	108.4°	109.5°
O07	C06	C05	119.2°	120.0°
C06	C05	C04	110.2°	109.5°
C06	C05	H9	109.3°	109.4°
C06	C05	H10	109.3°	109.5°
C05	C04	H7	108.4°	109.5°
C05	C04	H8	108.5°	109.5°
C04	C05	H9	109.3°	109.5°
C04	C05	H10	109.3°	109.5°
H2	C13	H3	109.5°	109.2°
H4	C15	H5	109.5°	109.2°
H7	C04	H8	109.5°	109.4°
H9	C05	H10	109.5°	109.5°
H12	C14	H13	109.5°	108.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C15	O16	H4	120.2°	120.3°
C14	C15	O16	H5	120.2°	120.4°
C15	C14	C13	H12	120.0°	120.7°
C15	C14	C13	H13	120.0°	120.8°
C14	C15	O16	C17	93.9°	84.4°
C15	C14	C13	O12	26.8°	64.9°
C15	C14	C13	H2	93.4°	174.8°
C15	C14	C13	H3	147.0°	55.4°
C14	C15	H4	H5	119.3°	119.4°
C15	C14	H12	H13	119.9°	118.6°
O16	C15	C14	C13	64.2°	64.8°
C15	O16	C17	C11	33.5°	68.2°
C15	O16	C17	C18	147.9°	111.7°
O16	C15	H4	H5	119.3°	119.3°
O16	C15	C14	H12	55.8°	55.9°
O16	C15	C14	H13	175.8°	174.4°
C14	C13	O12	H2	120.2°	120.3°
C14	C13	O12	H3	120.2°	120.3°
C14	C13	O12	C11	82.5°	84.5°
C14	C13	H2	H3	119.3°	119.4°
C13	C14	C15	H4	56.0°	174.9°
C13	C14	C15	H5	175.6°	55.5°
C13	C14	H12	H13	119.9°	118.6°
O16	C17	C11	O12	2.6°	0.0°
O16	C17	C11	C18	178.6°	180.0°
O16	C17	C11	C10	179.8°	179.9°
O16	C17	C18	C08	179.4°	179.9°
C17	O16	C15	H4	26.4°	155.3°
C17	O16	C15	H5	145.9°	36.0°
O16	C17	C18	H14	0.7°	0.0°
C13	O12	C11	C17	46.4°	68.3°
C13	O12	C11	C10	136.0°	111.8°
O12	C13	H2	H3	119.3°	119.3°
O12	C13	C14	H12	146.8°	55.9°
O12	C13	C14	H13	93.2°	174.4°
O12	C11	C17	C10	177.6°	179.9°
O12	C11	C17	C18	178.8°	180.0°
O12	C11	C10	C09	178.4°	179.9°
O12	C11	C10	H1	1.6°	0.2°
C11	O12	C13	H2	37.7°	155.2°
C11	O12	C13	H3	157.3°	35.8°
C11	C17	C18	C08	0.7°	0.1°
C17	C11	C10	C09	0.6°	0.0°
C17	C11	C10	H1	179.3°	179.7°
C11	C17	C18	H14	179.3°	180.0°
C18	C17	C11	C10	1.2°	0.1°
C17	C18	C08	H14	180.0°	179.9°
C17	C18	C08	C09	0.3°	0.4°
C17	C18	C08	C06	178.9°	180.0°
C11	C10	C09	H1	180.0°	179.7°
C11	C10	C09	C08	0.4°	0.3°
C11	C10	C09	H11	179.6°	179.8°
C18	C08	C09	C10	0.9°	0.4°
C18	C08	C09	C06	178.5°	179.6°
C18	C08	C06	O07	6.0°	0.4°
C18	C08	C06	C05	171.8°	179.5°
C18	C08	C09	H11	179.1°	179.6°
O03	C02	O01	C04	179.5°	180.0°
O03	C02	C04	C05	22.6°	0.0°
O03	C02	O01	H6	0.0°	0.0°
O03	C02	C04	H7	98.0°	120.0°
O03	C02	C04	H8	143.2°	120.0°
C10	C09	C08	H11	180.0°	180.0°
C10	C09	C08	C06	179.4°	180.0°
C09	C08	C06	O07	175.5°	180.0°
C09	C08	C06	C05	6.7°	0.1°
C08	C09	C10	H1	179.6°	180.0°
C09	C08	C18	H14	179.6°	179.8°
C08	C06	O07	C05	177.9°	179.9°
C08	C06	C05	C04	155.4°	180.0°
C08	C06	C05	H9	84.4°	60.0°
C08	C06	C05	H10	35.3°	60.1°
C06	C08	C09	H11	0.6°	0.0°
C06	C08	C18	H14	1.1°	0.2°
O01	C02	C04	C05	157.9°	180.0°
O01	C02	C04	H7	81.5°	60.0°
O01	C02	C04	H8	37.3°	60.0°
C02	C04	C05	C06	56.6°	180.0°
C02	C04	C05	H7	120.6°	120.1°
C02	C04	C05	H8	120.6°	120.0°
C04	C02	O01	H6	179.5°	180.0°
C02	C04	H7	H8	118.1°	120.0°
C02	C04	C05	H9	176.8°	60.0°
C02	C04	C05	H10	63.5°	60.0°
O07	C06	C05	C04	22.4°	0.0°
O07	C06	C05	H9	97.7°	120.0°
O07	C06	C05	H10	142.5°	120.0°
C06	C05	C04	H9	120.1°	120.0°
C06	C05	C04	H10	120.1°	120.0°
C06	C05	C04	H7	177.2°	59.9°
C06	C05	C04	H8	63.9°	60.0°
C06	C05	H9	H10	119.7°	120.0°
C05	C04	H7	H8	118.2°	120.0°
C04	C05	H9	H10	119.6°	120.0°
H1	C10	C09	H11	0.4°	0.1°
H2	C13	C14	H12	26.6°	64.4°
H2	C13	C14	H13	146.5°	54.1°
H3	C13	C14	H12	92.9°	176.2°
H3	C13	C14	H13	27.0°	65.3°
H4	C15	C14	H12	176.1°	64.4°
H4	C15	C14	H13	64.0°	54.1°
H5	C15	C14	H12	64.4°	176.2°
H5	C15	C14	H13	55.6°	65.3°
H7	C04	C05	H9	62.6°	179.9°
H7	C04	C05	H10	57.1°	60.0°
H8	C04	C05	H9	56.2°	60.0°
H8	C04	C05	H10	175.9°	180.0°

Release date:	2020-07-15
Definition date:	2020-02-13
Last modified:	2020-07-10
Release status:	REL
Processing site:	RCSB
Derived from:	6VSF