OGY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	sing	1.43Å	1.40Å
C02	C03	sing	1.51Å	1.52Å
C03	C04	doub	1.35Å	1.38Å	Aromatic
C03	N16	sing	1.34Å	1.33Å	Aromatic
C04	N05	sing	1.37Å	1.31Å	Aromatic
N16	C06	doub	1.30Å	1.35Å	Aromatic
N05	C06	sing	1.35Å	1.32Å	Aromatic
C08	C09	sing	1.53Å	1.53Å
C08	C07	sing	1.53Å	1.53Å
C06	C07	sing	1.51Å	1.54Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.40Å	Aromatic
C09	C10	sing	1.51Å	1.52Å
C12	C13	sing	1.38Å	1.39Å	Aromatic
C10	C15	doub	1.38Å	1.40Å	Aromatic
C13	C14	doub	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
O01	H3	sing	0.97Å	0.95Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.08Å	1.08Å
N05	H7	sing	0.97Å	1.00Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.08Å	1.08Å
C12	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	110.4°	109.5°
C02	O01	H3	109.5°	114.0°
O01	C02	H4	109.2°	109.5°
O01	C02	H5	109.2°	109.4°
C02	C03	C04	126.0°	126.0°
C02	C03	N16	125.4°	126.0°
C03	C02	H4	109.2°	109.5°
C03	C02	H5	109.2°	109.5°
C04	C03	N16	108.6°	108.0°
C03	C04	N05	105.8°	106.9°
C03	C04	H6	127.1°	126.5°
C03	N16	C06	107.4°	109.3°
C04	N05	C06	110.7°	107.2°
N05	C04	H6	127.1°	126.6°
C04	N05	H7	124.7°	126.4°
N16	C06	N05	107.5°	108.7°
N16	C06	C07	128.5°	125.7°
N05	C06	C07	124.0°	125.7°
C06	N05	H7	124.7°	126.4°
C09	C08	C07	113.0°	109.5°
C08	C09	C10	116.3°	109.5°
C09	C08	H10	108.6°	109.4°
C09	C08	H11	108.6°	109.5°
C08	C09	H12	107.7°	109.5°
C08	C09	H13	107.7°	109.4°
C08	C07	C06	112.1°	109.5°
C08	C07	H8	108.8°	109.5°
C08	C07	H9	108.8°	109.5°
C07	C08	H10	108.6°	109.5°
C07	C08	H11	108.6°	109.5°
C06	C07	H8	108.8°	109.5°
C06	C07	H9	108.8°	109.5°
C12	C11	C10	120.5°	120.0°
C11	C12	C13	119.6°	120.0°
C12	C11	H14	119.7°	120.0°
C11	C12	H15	120.2°	120.0°
C11	C10	C09	121.7°	120.0°
C11	C10	C15	119.9°	120.0°
C10	C11	H14	119.7°	120.0°
C09	C10	C15	118.3°	120.0°
C10	C09	H12	107.8°	109.5°
C10	C09	H13	107.7°	109.5°
C12	C13	C14	119.9°	120.0°
C12	C13	H1	120.0°	120.0°
C13	C12	H15	120.2°	120.0°
C10	C15	C14	119.0°	120.0°
C10	C15	H2	120.5°	120.0°
C13	C14	C15	121.1°	120.0°
C14	C13	H1	120.0°	120.0°
C13	C14	H16	119.5°	120.0°
C14	C15	H2	120.5°	120.1°
C15	C14	H16	119.5°	120.0°
H4	C02	H5	109.5°	109.5°
H8	C07	H9	109.5°	109.5°
H10	C08	H11	109.5°	109.5°
H12	C09	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	H4	120.1°	120.0°
O01	C02	C03	H5	120.1°	119.9°
O01	C02	C03	C04	4.9°	0.0°
O01	C02	C03	N16	175.1°	179.7°
O01	C02	H4	H5	119.6°	119.9°
C02	C03	C04	N16	180.0°	179.7°
C02	C03	C04	N05	179.1°	180.0°
C02	C03	N16	C06	178.9°	179.9°
C03	C02	O01	H3	180.0°	180.0°
C03	C02	H4	H5	119.6°	120.0°
C02	C03	C04	H6	0.9°	0.0°
C03	C04	N05	H6	180.0°	180.0°
C04	C03	N16	C06	1.1°	0.4°
C03	C04	N05	C06	0.2°	0.0°
C04	C03	C02	H4	115.3°	120.0°
C04	C03	C02	H5	125.0°	119.9°
C03	C04	N05	H7	179.7°	179.9°
N16	C03	C04	N05	0.8°	0.2°
C03	N16	C06	N05	0.9°	0.4°
C03	N16	C06	C07	178.9°	179.8°
N16	C03	C02	H4	64.8°	59.7°
N16	C03	C02	H5	55.0°	60.4°
N16	C03	C04	H6	179.2°	179.8°
C04	N05	C06	N16	0.4°	0.2°
C04	N05	C06	H7	180.0°	179.9°
C04	N05	C06	C07	179.4°	180.0°
N16	C06	N05	C07	179.8°	179.8°
N16	C06	C07	C08	87.2°	54.8°
N16	C06	N05	H7	179.6°	179.7°
N16	C06	C07	H8	152.3°	65.3°
N16	C06	C07	H9	33.1°	174.7°
N05	C06	C07	C08	93.0°	125.0°
C06	N05	C04	H6	179.7°	180.0°
N05	C06	C07	H8	27.5°	115.0°
N05	C06	C07	H9	146.7°	5.0°
C09	C08	C07	H10	120.5°	120.0°
C09	C08	C07	H11	120.5°	120.0°
C09	C08	C07	C06	175.5°	180.0°
C08	C09	C10	C11	39.4°	89.8°
C08	C09	C10	H12	121.0°	120.0°
C08	C09	C10	H13	121.0°	120.0°
C08	C09	C10	C15	141.5°	90.0°
C09	C08	C07	H8	64.1°	60.0°
C09	C08	C07	H9	55.1°	60.0°
C09	C08	H10	H11	118.4°	120.0°
C08	C09	H12	H13	116.9°	120.0°
C08	C07	C06	H8	120.4°	120.0°
C08	C07	C06	H9	120.4°	120.0°
C07	C08	C09	C10	87.6°	180.0°
C08	C07	H8	H9	118.8°	120.0°
C07	C08	H10	H11	118.4°	120.0°
C07	C08	C09	H12	151.4°	60.0°
C07	C08	C09	H13	33.4°	60.0°
C07	C06	N05	H7	0.6°	0.1°
C06	C07	H8	H9	118.8°	120.0°
C06	C07	C08	H10	55.0°	60.0°
C06	C07	C08	H11	64.0°	60.0°
C12	C11	C10	H14	180.0°	180.0°
C12	C11	C10	C09	179.4°	179.7°
C11	C12	C13	H15	180.0°	179.9°
C12	C11	C10	C15	0.3°	0.0°
C11	C12	C13	C14	0.0°	0.4°
C11	C12	C13	H1	180.0°	179.7°
C11	C10	C09	C15	179.1°	179.8°
C10	C11	C12	C13	0.0°	0.0°
C11	C10	C15	C14	0.7°	0.3°
C11	C10	C15	H2	179.4°	179.7°
C11	C10	C09	H12	81.6°	30.3°
C11	C10	C09	H13	160.4°	150.3°
C10	C11	C12	H15	180.0°	180.0°
C09	C10	C15	C14	179.8°	180.0°
C09	C10	C15	H2	0.3°	0.1°
C10	C09	C08	H10	151.9°	60.0°
C10	C09	C08	H11	32.9°	60.0°
C10	C09	H12	H13	116.9°	120.0°
C09	C10	C11	H14	0.6°	0.2°
C12	C13	C14	H1	180.0°	179.3°
C12	C13	C14	C15	0.3°	0.7°
C13	C12	C11	H14	180.0°	180.0°
C12	C13	C14	H16	179.7°	180.0°
C10	C15	C14	C13	0.6°	0.6°
C10	C15	C14	H2	180.0°	180.0°
C15	C10	C09	H12	97.5°	150.0°
C15	C10	C09	H13	20.5°	30.0°
C15	C10	C11	H14	179.7°	180.0°
C10	C15	C14	H16	179.3°	179.9°
C13	C14	C15	H16	180.0°	179.3°
C13	C14	C15	H2	179.4°	179.4°
C14	C13	C12	H15	180.0°	179.7°
C15	C14	C13	H1	179.7°	180.0°
H1	C13	C12	H15	0.0°	0.4°
H1	C13	C14	H16	0.3°	0.7°
H2	C15	C14	H16	0.6°	0.0°
H3	O01	C02	H4	59.9°	59.9°
H3	O01	C02	H5	59.8°	60.1°
H6	C04	N05	H7	0.3°	0.1°
H8	C07	C08	H10	175.4°	180.0°
H8	C07	C08	H11	56.4°	60.0°
H9	C07	C08	H10	65.4°	60.0°
H9	C07	C08	H11	175.6°	180.0°
H10	C08	C09	H12	30.9°	60.0°
H10	C08	C09	H13	87.1°	180.0°
H11	C08	C09	H12	88.1°	180.0°
H11	C08	C09	H13	153.9°	60.0°
H14	C11	C12	H15	0.0°	0.0°

Release date:	2019-12-11
Definition date:	2019-06-24
Last modified:	2019-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	6PG8