O5E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.39Å	1.38Å	Aromatic
C16	C11	sing	1.39Å	1.39Å	Aromatic
C11	N10	sing	1.40Å	1.46Å
N06	N05	sing	1.41Å	1.36Å	Aromatic
N06	N07	doub	1.29Å	1.36Å	Aromatic
N05	C04	sing	1.35Å	1.32Å	Aromatic
C19	C18	doub	1.38Å	1.38Å	Aromatic
C19	C20	sing	1.38Å	1.38Å	Aromatic
N07	N08	sing	1.28Å	1.36Å	Aromatic
C18	C17	sing	1.38Å	1.38Å	Aromatic
C04	N03	sing	1.39Å	1.45Å
C04	N08	doub	1.31Å	1.32Å	Aromatic
N10	C09	sing	1.47Å	1.46Å
C20	C21	doub	1.38Å	1.39Å	Aromatic
N03	C02	sing	1.35Å	1.45Å
C17	C09	sing	1.51Å	1.53Å
C17	C22	doub	1.38Å	1.39Å	Aromatic
C02	C09	sing	1.51Å	1.53Å
C02	O01	doub	1.21Å	1.19Å
C21	C22	sing	1.38Å	1.39Å	Aromatic
C09	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C18	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
N03	H12	sing	0.97Å	1.00Å
N05	H13	sing	0.97Å	1.00Å
N10	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	C15	119.1°	120.1°
C14	C13	C12	120.0°	120.1°
C14	C13	H3	120.0°	120.0°
C13	C14	H4	120.4°	119.9°
C14	C15	C16	121.0°	120.1°
C15	C14	H4	120.4°	119.9°
C14	C15	H5	119.5°	120.0°
C13	C12	C11	121.0°	119.9°
C13	C12	H2	119.5°	120.0°
C12	C13	H3	120.0°	119.9°
C15	C16	C11	119.8°	120.0°
C16	C15	H5	119.5°	119.9°
C15	C16	H6	120.1°	120.0°
C12	C11	C16	119.1°	119.8°
C12	C11	N10	120.3°	120.1°
C11	C12	H2	119.5°	120.0°
C16	C11	N10	120.6°	120.1°
C11	C16	H6	120.1°	120.0°
C11	N10	C09	120.1°	120.0°
C11	N10	H14	106.8°	120.0°
N05	N06	N07	107.1°	106.8°
N06	N05	C04	108.6°	105.3°
N06	N05	H13	125.7°	127.4°
N06	N07	N08	106.7°	110.3°
N05	C04	N03	123.3°	126.5°
N05	C04	N08	109.2°	107.1°
C04	N05	H13	125.7°	127.3°
C18	C19	C20	119.7°	120.0°
C19	C18	C17	121.1°	120.0°
C19	C18	H7	119.5°	120.0°
C18	C19	H8	120.1°	120.0°
C19	C20	C21	119.9°	120.0°
C20	C19	H8	120.2°	120.0°
C19	C20	H9	120.1°	120.0°
N07	N08	C04	108.5°	110.5°
C18	C17	C09	122.2°	120.0°
C18	C17	C22	119.1°	120.1°
C17	C18	H7	119.5°	120.0°
N03	C04	N08	127.5°	126.4°
C04	N03	C02	127.0°	120.0°
C04	N03	H12	116.5°	120.0°
N10	C09	C17	107.1°	109.5°
N10	C09	C02	105.4°	109.5°
N10	C09	H1	109.9°	109.5°
C09	N10	H14	106.7°	120.0°
C20	C21	C22	120.3°	120.0°
C21	C20	H9	120.0°	120.0°
C20	C21	H10	119.9°	120.0°
N03	C02	C09	114.2°	120.0°
N03	C02	O01	122.0°	119.9°
C02	N03	H12	116.4°	120.0°
C09	C17	C22	118.7°	120.0°
C17	C09	C02	116.5°	109.5°
C17	C09	H1	109.0°	109.5°
C17	C22	C21	120.1°	120.0°
C17	C22	H11	120.0°	120.0°
C09	C02	O01	123.8°	120.0°
C02	C09	H1	108.9°	109.5°
C22	C21	H10	119.9°	120.0°
C21	C22	H11	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	C15	H4	180.0°	180.0°
C14	C13	C12	H3	180.0°	179.9°
C13	C14	C15	C16	0.1°	0.2°
C14	C13	C12	C11	1.0°	0.0°
C14	C13	C12	H2	179.0°	179.9°
C13	C14	C15	H5	179.9°	180.0°
C15	C14	C13	C12	0.7°	0.0°
C14	C15	C16	H5	180.0°	179.7°
C14	C15	C16	C11	0.6°	0.6°
C15	C14	C13	H3	179.3°	180.0°
C14	C15	C16	H6	179.4°	180.0°
C13	C12	C11	H2	180.0°	179.9°
C13	C12	C11	C16	0.5°	0.3°
C13	C12	C11	N10	178.9°	180.0°
C12	C13	C14	H4	179.3°	180.0°
C15	C16	C11	C12	0.3°	0.6°
C15	C16	C11	H6	180.0°	179.4°
C15	C16	C11	N10	179.7°	179.7°
C16	C15	C14	H4	179.9°	179.7°
C12	C11	C16	N10	179.4°	179.7°
C12	C11	N10	C09	63.8°	180.0°
C11	C12	C13	H3	179.0°	179.9°
C12	C11	C16	H6	179.7°	179.9°
C12	C11	N10	H14	174.7°	0.0°
C16	C11	N10	C09	115.6°	0.3°
C16	C11	C12	H2	179.5°	179.7°
C11	C16	C15	H5	179.4°	179.7°
C16	C11	N10	H14	5.9°	179.7°
C11	N10	C09	H14	121.5°	180.0°
C11	N10	C09	C17	32.2°	85.0°
C11	N10	C09	C02	92.4°	155.0°
C11	N10	C09	H1	150.4°	35.0°
N10	C11	C12	H2	1.1°	0.1°
N10	C11	C16	H6	0.3°	0.3°
N06	N05	C04	H13	180.0°	180.0°
N05	N06	N07	N08	0.7°	0.3°
N06	N05	C04	N03	179.2°	179.9°
N06	N05	C04	N08	0.3°	0.2°
N07	N06	N05	C04	0.6°	0.0°
N06	N07	N08	C04	0.5°	0.5°
N07	N06	N05	H13	179.4°	180.0°
N05	C04	N08	N07	0.2°	0.4°
N05	C04	N03	N08	178.7°	179.6°
N05	C04	N03	C02	177.0°	0.3°
N05	C04	N03	H12	3.0°	179.7°
C18	C19	C20	H8	180.0°	180.0°
C19	C18	C17	H7	180.0°	179.9°
C18	C19	C20	C21	0.4°	0.0°
C19	C18	C17	C09	178.5°	179.9°
C19	C18	C17	C22	0.4°	0.3°
C18	C19	C20	H9	179.6°	180.0°
C20	C19	C18	C17	0.3°	0.1°
C19	C20	C21	H9	180.0°	179.9°
C19	C20	C21	C22	0.1°	0.1°
C20	C19	C18	H7	179.8°	180.0°
C19	C20	C21	H10	179.9°	179.9°
N07	N08	C04	N03	178.7°	179.9°
C18	C17	C09	N10	98.8°	39.7°
C18	C17	C09	C22	178.1°	179.7°
C18	C17	C09	C02	18.7°	80.3°
C18	C17	C22	C21	0.9°	0.5°
C18	C17	C09	H1	142.3°	159.7°
C17	C18	C19	H8	179.8°	180.0°
C18	C17	C22	H11	179.1°	179.7°
C04	N03	C02	H12	180.0°	180.0°
C04	N03	C02	C09	179.0°	180.0°
C04	N03	C02	O01	0.5°	0.2°
N03	C04	N05	H13	0.8°	0.1°
N08	C04	N03	C02	4.3°	180.0°
N08	C04	N03	H12	175.7°	0.0°
N08	C04	N05	H13	179.7°	179.8°
N10	C09	C02	N03	22.5°	179.7°
N10	C09	C17	C02	117.5°	120.0°
N10	C09	C17	H1	118.8°	120.0°
N10	C09	C17	C22	79.3°	140.0°
N10	C09	C02	H1	117.9°	120.0°
N10	C09	C02	O01	158.0°	0.0°
C20	C21	C22	C17	0.8°	0.4°
C20	C21	C22	H10	180.0°	179.9°
C21	C20	C19	H8	179.6°	179.9°
C20	C21	C22	H11	179.2°	179.8°
N03	C02	C09	C17	140.9°	60.3°
N03	C02	C09	O01	179.6°	179.8°
N03	C02	C09	H1	95.4°	59.8°
C17	C09	C02	H1	123.7°	120.0°
C17	C09	C02	O01	39.5°	120.0°
C09	C17	C22	C21	179.0°	179.8°
C09	C17	C18	H7	1.5°	0.0°
C09	C17	C22	H11	0.9°	0.0°
C17	C09	N10	H14	89.3°	95.0°
C22	C17	C09	C02	163.2°	100.0°
C17	C22	C21	H11	180.0°	179.8°
C22	C17	C09	H1	39.5°	20.0°
C22	C17	C18	H7	179.6°	179.7°
C17	C22	C21	H10	179.2°	179.7°
C09	C02	N03	H12	0.9°	0.0°
C02	C09	N10	H14	146.1°	25.0°
O01	C02	C09	H1	84.2°	120.0°
O01	C02	N03	H12	179.5°	179.8°
C22	C21	C20	H9	179.9°	179.8°
H1	C09	N10	H14	28.9°	145.0°
H2	C12	C13	H3	1.0°	0.0°
H3	C13	C14	H4	0.7°	0.1°
H4	C14	C15	H5	0.1°	0.0°
H5	C15	C16	H6	0.6°	0.3°
H7	C18	C19	H8	0.2°	0.0°
H8	C19	C20	H9	0.4°	0.0°
H9	C20	C21	H10	0.1°	0.1°
H10	C21	C22	H11	0.8°	0.1°

Release date:	2019-04-17
Definition date:	2018-08-22
Last modified:	2019-04-12
Release status:	REL
Processing site:	RCSB
Derived from:	6EFJ