5OI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N22	C17	sing	1.47Å	1.48Å
C17	C16	sing	1.53Å	1.53Å
C17	C11	sing	1.51Å	1.56Å
C16	C18	sing	1.53Å	1.53Å
C12	C15	sing	1.53Å	1.47Å
N21	C11	doub	1.33Å	1.34Å	Aromatic
N21	C10	sing	1.32Å	1.33Å	Aromatic
C15	C10	sing	1.51Å	1.51Å
C11	N20	sing	1.31Å	1.34Å	Aromatic
C10	C6	doub	1.41Å	1.43Å	Aromatic
C18	C14	sing	1.53Å	1.53Å
C18	C13	sing	1.53Å	1.52Å
N20	C8	doub	1.34Å	1.37Å	Aromatic
C6	C8	sing	1.42Å	1.42Å	Aromatic
C6	C3	sing	1.40Å	1.41Å	Aromatic
C8	C2	sing	1.40Å	1.41Å	Aromatic
C3	C7	doub	1.39Å	1.37Å	Aromatic
C2	C1	doub	1.36Å	1.36Å	Aromatic
C7	C1	sing	1.41Å	1.40Å	Aromatic
C7	C9	sing	1.48Å	1.47Å
O23	C9	sing	1.35Å	1.37Å	Aromatic
O23	C5	sing	1.34Å	1.35Å	Aromatic
C9	C4	doub	1.36Å	1.35Å	Aromatic
C5	N19	doub	1.30Å	1.28Å	Aromatic
C4	N19	sing	1.34Å	1.38Å	Aromatic
C13	H32	sing	1.09Å	1.10Å
C13	H33	sing	1.09Å	1.10Å
C13	H34	sing	1.09Å	1.10Å
C18	H43	sing	1.09Å	1.10Å
C17	H42	sing	1.09Å	1.10Å
C16	H40	sing	1.09Å	1.10Å
C16	H41	sing	1.09Å	1.10Å
C15	H39	sing	1.09Å	1.10Å
C15	H38	sing	1.09Å	1.10Å
C12	H30	sing	1.09Å	1.10Å
C12	H31	sing	1.09Å	1.10Å
C12	H29	sing	1.09Å	1.10Å
C1	H24	sing	1.08Å	1.08Å
C2	H25	sing	1.08Å	1.08Å
C3	H26	sing	1.08Å	1.08Å
C4	H27	sing	1.08Å	1.08Å
C5	H28	sing	1.08Å	1.08Å
C14	H37	sing	1.09Å	1.10Å
C14	H35	sing	1.09Å	1.10Å
C14	H36	sing	1.09Å	1.10Å
N22	H44	sing	1.01Å	1.00Å
N22	H1	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N22	C17	C16	108.4°	109.5°
N22	C17	C11	109.5°	109.5°
N22	C17	H42	110.1°	109.5°
C17	N22	H44	109.5°	111.0°
C17	N22	H1	109.4°	111.0°
C16	C17	C11	110.5°	109.5°
C17	C16	C18	114.2°	109.5°
C16	C17	H42	109.3°	109.4°
C17	C16	H40	108.3°	109.5°
C17	C16	H41	108.3°	109.4°
C17	C11	N21	116.1°	118.6°
C17	C11	N20	116.9°	118.6°
C11	C17	H42	109.0°	109.4°
C16	C18	C14	110.5°	109.5°
C16	C18	C13	110.1°	109.5°
C16	C18	H43	108.5°	109.5°
C18	C16	H40	108.3°	109.5°
C18	C16	H41	108.3°	109.4°
C12	C15	C10	113.9°	109.5°
C12	C15	H39	108.4°	109.4°
C12	C15	H38	108.3°	109.5°
C15	C12	H30	109.5°	109.5°
C15	C12	H31	109.5°	109.4°
C15	C12	H29	109.5°	109.5°
C11	N21	C10	117.4°	121.6°
N21	C11	N20	126.9°	122.8°
N21	C10	C15	116.0°	120.8°
N21	C10	C6	122.5°	118.3°
C15	C10	C6	121.4°	120.8°
C10	C15	H39	108.3°	109.5°
C10	C15	H38	108.4°	109.5°
C11	N20	C8	115.7°	120.3°
C10	C6	C8	114.8°	118.3°
C10	C6	C3	126.6°	122.0°
C14	C18	C13	110.4°	109.4°
C14	C18	H43	108.6°	109.5°
C18	C14	H37	109.5°	109.5°
C18	C14	H35	109.5°	109.5°
C18	C14	H36	109.5°	109.5°
C18	C13	H32	109.5°	109.5°
C18	C13	H33	109.5°	109.5°
C18	C13	H34	109.5°	109.5°
C13	C18	H43	108.7°	109.4°
N20	C8	C6	122.7°	118.6°
N20	C8	C2	118.5°	121.8°
C8	C6	C3	118.6°	119.8°
C6	C8	C2	118.9°	119.6°
C6	C3	C7	121.3°	119.2°
C6	C3	H26	119.4°	120.4°
C8	C2	C1	120.8°	119.9°
C8	C2	H25	119.6°	120.0°
C3	C7	C1	119.5°	120.5°
C3	C7	C9	119.9°	119.7°
C7	C3	H26	119.4°	120.4°
C2	C1	C7	120.9°	121.0°
C2	C1	H24	119.5°	119.5°
C1	C2	H25	119.6°	120.1°
C1	C7	C9	120.5°	119.8°
C7	C1	H24	119.6°	119.5°
C7	C9	O23	117.4°	126.6°
C7	C9	C4	135.6°	126.5°
C9	O23	C5	104.2°	107.7°
O23	C9	C4	106.8°	106.9°
O23	C5	N19	115.0°	109.1°
O23	C5	H28	122.5°	125.5°
C9	C4	N19	110.4°	107.5°
C9	C4	H27	124.8°	126.2°
C5	N19	C4	103.7°	108.9°
N19	C5	H28	122.5°	125.5°
N19	C4	H27	124.8°	126.3°
H32	C13	H33	109.5°	109.4°
H32	C13	H34	109.5°	109.5°
H33	C13	H34	109.5°	109.4°
H40	C16	H41	109.5°	109.5°
H39	C15	H38	109.5°	109.5°
H30	C12	H31	109.4°	109.5°
H30	C12	H29	109.5°	109.5°
H31	C12	H29	109.5°	109.5°
H37	C14	H35	109.5°	109.5°
H37	C14	H36	109.5°	109.4°
H35	C14	H36	109.5°	109.4°
H44	N22	H1	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N22	C17	C16	C11	120.0°	120.1°
N22	C17	C16	H42	120.1°	120.0°
N22	C17	C11	H42	120.6°	120.0°
N22	C17	C16	C18	167.6°	65.2°
N22	C17	C11	N21	44.2°	134.7°
N22	C17	C11	N20	136.6°	45.0°
N22	C17	C16	H40	46.9°	174.7°
N22	C17	C16	H41	71.7°	54.7°
C17	N22	H44	H1	120.0°	123.9°
C16	C17	C11	H42	120.1°	120.0°
C17	C16	C18	H40	120.7°	120.0°
C17	C16	C18	H41	120.7°	119.9°
C16	C17	C11	N21	75.2°	105.2°
C16	C17	C11	N20	104.1°	75.0°
C17	C16	C18	C14	71.4°	174.2°
C17	C16	C18	C13	166.3°	65.9°
C17	C16	C18	H43	47.5°	54.1°
C17	C16	H40	H41	117.9°	120.0°
C16	C17	N22	H44	180.0°	54.1°
C16	C17	N22	H1	60.0°	69.8°
C11	C17	C16	C18	72.4°	174.7°
C17	C11	N21	N20	179.1°	179.7°
C17	C11	N21	C10	178.5°	180.0°
C17	C11	N20	C8	179.8°	180.0°
C11	C17	C16	H40	166.9°	54.6°
C11	C17	C16	H41	48.3°	65.4°
C11	C17	N22	H44	59.4°	66.0°
C11	C17	N22	H1	60.6°	170.1°
C16	C18	C14	C13	122.1°	120.0°
C16	C18	C14	H43	118.9°	120.1°
C16	C18	C13	H43	118.8°	120.1°
C16	C18	C13	H32	180.0°	59.9°
C16	C18	C13	H33	60.0°	60.0°
C16	C18	C13	H34	60.0°	180.0°
C18	C16	C17	H42	47.5°	54.7°
C18	C16	H40	H41	117.9°	120.0°
C16	C18	C14	H37	180.0°	179.6°
C16	C18	C14	H35	60.0°	60.3°
C16	C18	C14	H36	60.0°	59.6°
C12	C15	C10	N21	44.5°	90.3°
C12	C15	C10	H39	120.7°	119.9°
C12	C15	C10	H38	120.6°	120.0°
C12	C15	C10	C6	131.0°	90.0°
C12	C15	H39	H38	118.0°	120.0°
C15	C12	H30	H31	120.0°	119.9°
C15	C12	H30	H29	120.0°	120.0°
C15	C12	H31	H29	120.0°	120.0°
C11	N21	C10	C15	172.5°	179.7°
C11	N21	C10	C6	2.9°	0.1°
N21	C11	N20	C8	1.1°	0.3°
N21	C11	C17	H42	164.8°	14.8°
N21	C10	C15	C6	175.4°	179.7°
C10	N21	C11	N20	0.6°	0.2°
N21	C10	C6	C8	3.3°	0.3°
N21	C10	C6	C3	177.1°	179.8°
N21	C10	C15	H39	165.1°	149.7°
N21	C10	C15	H38	76.1°	29.7°
C15	C10	C6	C8	171.9°	180.0°
C15	C10	C6	C3	7.8°	0.1°
C10	C15	H39	H38	118.0°	120.0°
C10	C15	C12	H30	180.0°	60.0°
C10	C15	C12	H31	60.0°	60.0°
C10	C15	C12	H29	60.0°	180.0°
C11	N20	C8	C6	0.6°	0.0°
C11	N20	C8	C2	179.8°	179.7°
N20	C11	C17	H42	16.0°	165.0°
C10	C6	C8	N20	1.4°	0.2°
C10	C6	C8	C3	179.7°	179.9°
C10	C6	C8	C2	178.2°	180.0°
C10	C6	C3	C7	178.2°	179.9°
C6	C10	C15	H39	10.3°	29.9°
C6	C10	C15	H38	108.4°	150.0°
C10	C6	C3	H26	1.8°	0.1°
C14	C18	C13	H43	119.0°	120.0°
C14	C18	C13	H32	57.7°	60.0°
C14	C18	C13	H33	62.2°	180.0°
C14	C18	C13	H34	177.7°	60.1°
C14	C18	C16	H40	49.3°	65.8°
C14	C18	C16	H41	167.9°	54.2°
C18	C14	H37	H35	120.0°	120.0°
C18	C14	H37	H36	120.0°	120.0°
C18	C14	H35	H36	120.0°	120.0°
C18	C13	H32	H33	120.0°	120.0°
C18	C13	H32	H34	120.0°	120.1°
C18	C13	H33	H34	120.0°	120.0°
C13	C18	C16	H40	73.0°	54.2°
C13	C18	C16	H41	45.6°	174.2°
C13	C18	C14	H37	57.9°	59.6°
C13	C18	C14	H35	177.9°	179.7°
C13	C18	C14	H36	62.1°	60.3°
N20	C8	C6	C2	179.6°	179.8°
N20	C8	C6	C3	178.9°	179.8°
N20	C8	C2	C1	179.7°	179.8°
N20	C8	C2	H25	0.3°	0.3°
C8	C6	C3	C7	1.5°	0.1°
C6	C8	C2	C1	0.6°	0.0°
C6	C8	C2	H25	179.4°	180.0°
C8	C6	C3	H26	178.5°	180.0°
C3	C6	C8	C2	1.5°	0.1°
C6	C3	C7	H26	180.0°	179.8°
C6	C3	C7	C1	0.5°	0.1°
C6	C3	C7	C9	177.8°	179.9°
C8	C2	C1	H25	180.0°	180.0°
C8	C2	C1	C7	0.4°	0.0°
C8	C2	C1	H24	179.6°	180.0°
C3	C7	C1	C2	0.4°	0.1°
C3	C7	C1	C9	177.3°	180.0°
C3	C7	C9	O23	5.4°	0.1°
C3	C7	C9	C4	168.2°	180.0°
C3	C7	C1	H24	179.5°	179.9°
C2	C1	C7	H24	180.0°	180.0°
C2	C1	C7	C9	176.8°	179.9°
C1	C7	C9	O23	177.3°	180.0°
C1	C7	C9	C4	9.1°	0.1°
C7	C1	C2	H25	179.6°	180.0°
C1	C7	C3	H26	179.5°	180.0°
C7	C9	O23	C4	175.3°	179.9°
C7	C9	O23	C5	174.4°	179.8°
C7	C9	C4	N19	173.1°	180.0°
C9	C7	C1	H24	3.2°	0.0°
C9	C7	C3	H26	2.2°	0.0°
C7	C9	C4	H27	6.9°	0.2°
C9	O23	C5	N19	0.6°	0.4°
O23	C9	C4	N19	0.9°	0.0°
O23	C9	C4	H27	179.1°	179.8°
C9	O23	C5	H28	179.4°	180.0°
C5	O23	C9	C4	0.9°	0.3°
O23	C5	N19	H28	180.0°	179.6°
O23	C5	N19	C4	0.1°	0.4°
C9	C4	N19	C5	0.5°	0.2°
C9	C4	N19	H27	180.0°	179.8°
C5	N19	C4	H27	179.5°	180.0°
C4	N19	C5	H28	179.9°	180.0°
H32	C13	H33	H34	120.0°	120.0°
H32	C13	C18	H43	61.2°	180.0°
H33	C13	C18	H43	178.8°	60.0°
H34	C13	C18	H43	58.7°	59.9°
H43	C18	C16	H40	168.2°	174.2°
H43	C18	C16	H41	73.2°	65.8°
H43	C18	C14	H37	61.1°	60.3°
H43	C18	C14	H35	58.9°	59.7°
H43	C18	C14	H36	178.9°	179.7°
H42	C17	C16	H40	73.2°	65.3°
H42	C17	C16	H41	168.2°	174.7°
H42	C17	N22	H44	60.5°	174.1°
H42	C17	N22	H1	179.5°	50.2°
H39	C15	C12	H30	59.3°	60.0°
H39	C15	C12	H31	60.6°	180.0°
H39	C15	C12	H29	179.3°	60.0°
H38	C15	C12	H30	59.4°	NaN°
H38	C15	C12	H31	179.3°	60.0°
H38	C15	C12	H29	60.6°	60.0°
H30	C12	H31	H29	120.0°	120.1°
H24	C1	C2	H25	0.4°	0.1°
H37	C14	H35	H36	120.0°	119.9°

Release date:	2022-02-23
Definition date:	2021-07-21
Last modified:	2022-02-18
Release status:	REL
Processing site:	RCSB
Derived from:	7RJ6