M8I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.37Å	1.33Å	Aromatic
C2	C3	doub	1.36Å	1.39Å	Aromatic
N1	C4	sing	1.37Å	1.36Å	Aromatic
C3	C5	sing	1.41Å	1.39Å	Aromatic
C4	C5	doub	1.35Å	1.37Å	Aromatic
N1	C7	sing	1.40Å	1.44Å
C2	C8	sing	1.48Å	1.46Å
C6	C9	sing	1.48Å	1.52Å
C6	O11	doub	1.22Å	1.23Å
C4	C12	sing	1.51Å	1.48Å
C10	O13	doub	1.21Å	1.26Å
C7	C14	doub	1.39Å	1.42Å	Aromatic
C7	C15	sing	1.39Å	1.38Å	Aromatic
C9	C16	sing	1.40Å	1.38Å	Aromatic
C15	C16	doub	1.38Å	1.38Å	Aromatic
C9	C17	doub	1.40Å	1.43Å	Aromatic
C14	C17	sing	1.38Å	1.40Å	Aromatic
C8	C18	doub	1.40Å	1.42Å	Aromatic
C8	C19	sing	1.40Å	1.36Å	Aromatic
C6	N20	sing	1.35Å	1.38Å
C10	C21	sing	1.51Å	1.51Å
C12	C21	sing	1.53Å	1.45Å
C10	O23	sing	1.34Å	1.28Å
C18	C24	sing	1.38Å	1.42Å	Aromatic
C22	C24	doub	1.39Å	1.39Å	Aromatic
C19	C25	doub	1.38Å	1.39Å	Aromatic
C22	C25	sing	1.39Å	1.40Å	Aromatic
C22	F26	sing	1.35Å	1.34Å
C15	H32	sing	1.08Å	1.08Å
C16	H33	sing	1.08Å	1.08Å
C17	H34	sing	1.08Å	1.08Å
C18	H35	sing	1.08Å	1.08Å
C19	H36	sing	1.08Å	1.08Å
C21	H40	sing	1.09Å	1.10Å
C21	H39	sing	1.09Å	1.10Å
C24	H42	sing	1.08Å	1.08Å
C25	H43	sing	1.08Å	1.08Å
C3	H27	sing	1.08Å	1.08Å
C5	H28	sing	1.08Å	1.08Å
C12	H30	sing	1.09Å	1.10Å
C12	H29	sing	1.09Å	1.10Å
C14	H31	sing	1.08Å	1.08Å
N20	H38	sing	0.97Å	1.00Å
N20	H37	sing	0.97Å	1.00Å
O23	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	C3	106.7°	107.9°
C2	N1	C4	109.7°	108.5°
C2	N1	C7	125.2°	125.8°
N1	C2	C8	128.5°	126.0°
C2	C3	C5	108.9°	107.4°
C3	C2	C8	124.3°	126.1°
C2	C3	H27	125.5°	126.3°
N1	C4	C5	109.7°	108.5°
C4	N1	C7	124.7°	125.7°
N1	C4	C12	119.1°	125.7°
C3	C5	C4	105.1°	107.8°
C5	C3	H27	125.6°	126.3°
C3	C5	H28	127.5°	126.1°
C5	C4	C12	131.3°	125.8°
C4	C5	H28	127.4°	126.2°
N1	C7	C14	116.0°	119.9°
N1	C7	C15	121.8°	119.9°
C2	C8	C18	120.5°	120.1°
C2	C8	C19	121.3°	120.1°
C9	C6	O11	120.7°	120.0°
C6	C9	C16	117.2°	120.1°
C6	C9	C17	122.5°	120.1°
C9	C6	N20	114.3°	120.1°
O11	C6	N20	124.9°	120.0°
C4	C12	C21	114.4°	109.4°
C4	C12	H30	108.3°	109.5°
C4	C12	H29	108.2°	109.5°
O13	C10	C21	116.7°	120.0°
O13	C10	O23	122.8°	120.0°
C14	C7	C15	122.1°	120.2°
C7	C14	C17	116.7°	120.0°
C7	C14	H31	121.7°	120.0°
C7	C15	C16	120.6°	120.1°
C7	C15	H32	119.7°	120.0°
C9	C16	C15	119.8°	119.9°
C16	C9	C17	120.3°	119.8°
C9	C16	H33	120.1°	120.1°
C16	C15	H32	119.7°	120.0°
C15	C16	H33	120.1°	120.0°
C9	C17	C14	120.4°	120.0°
C9	C17	H34	119.8°	120.0°
C14	C17	H34	119.8°	120.1°
C17	C14	H31	121.6°	120.0°
C18	C8	C19	118.2°	119.8°
C8	C18	C24	123.0°	119.9°
C8	C18	H35	118.5°	120.0°
C8	C19	C25	120.7°	119.9°
C8	C19	H36	119.6°	120.0°
C6	N20	H38	120.0°	120.0°
C6	N20	H37	120.0°	120.0°
C10	C21	C12	110.3°	109.5°
C21	C10	O23	120.5°	120.0°
C10	C21	H40	109.3°	109.5°
C10	C21	H39	109.3°	109.4°
C12	C21	H40	109.3°	109.5°
C12	C21	H39	109.3°	109.4°
C21	C12	H30	108.2°	109.5°
C21	C12	H29	108.2°	109.4°
C10	O23	H1	109.5°	117.0°
C18	C24	C22	115.4°	120.1°
C24	C18	H35	118.5°	120.1°
C18	C24	H42	122.3°	119.9°
C24	C22	C25	121.9°	120.2°
C24	C22	F26	116.7°	119.9°
C22	C24	H42	122.3°	119.9°
C19	C25	C22	120.7°	120.1°
C25	C19	H36	119.6°	120.1°
C19	C25	H43	119.6°	119.9°
C25	C22	F26	121.4°	119.9°
C22	C25	H43	119.7°	120.0°
H40	C21	H39	109.5°	109.5°
H30	C12	H29	109.5°	109.5°
H38	N20	H37	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	C8	172.5°	179.9°
C2	N1	C4	C7	173.0°	179.7°
N1	C2	C3	C5	0.8°	0.0°
C2	N1	C4	C5	1.0°	0.0°
C2	N1	C4	C12	178.3°	180.0°
C2	N1	C7	C14	73.0°	68.7°
C2	N1	C7	C15	110.4°	111.3°
N1	C2	C8	C18	33.0°	159.4°
N1	C2	C8	C19	145.2°	20.6°
N1	C2	C3	H27	179.2°	180.0°
C3	C2	N1	C4	1.1°	0.0°
C2	C3	C5	H27	180.0°	180.0°
C2	C3	C5	C4	0.2°	0.0°
C3	C2	N1	C7	174.0°	179.7°
C3	C2	C8	C18	137.9°	20.5°
C3	C2	C8	C19	43.9°	159.5°
C2	C3	C5	H28	179.8°	180.0°
N1	C4	C5	C3	0.4°	0.0°
N1	C4	C5	C12	179.2°	179.9°
C4	N1	C2	C8	173.2°	180.0°
C4	N1	C7	C14	98.9°	111.6°
C4	N1	C7	C15	77.7°	68.4°
N1	C4	C12	C21	176.8°	95.0°
N1	C4	C5	H28	179.6°	180.0°
N1	C4	C12	H30	62.5°	145.0°
N1	C4	C12	H29	56.1°	24.9°
C3	C5	C4	H28	180.0°	180.0°
C5	C3	C2	C8	173.4°	179.9°
C3	C5	C4	C12	178.8°	180.0°
C5	C4	N1	C7	173.9°	179.8°
C5	C4	C12	C21	2.3°	85.1°
C4	C5	C3	H27	179.8°	180.0°
C5	C4	C12	H30	118.4°	34.9°
C5	C4	C12	H29	123.0°	155.0°
C7	N1	C2	C8	13.9°	0.3°
C7	N1	C4	C12	5.4°	0.3°
N1	C7	C14	C15	176.6°	180.0°
N1	C7	C15	C16	179.6°	180.0°
N1	C7	C14	C17	179.7°	179.5°
N1	C7	C15	H32	0.4°	0.3°
N1	C7	C14	H31	0.3°	0.1°
C2	C8	C18	C19	178.3°	180.0°
C2	C8	C18	C24	180.0°	179.9°
C2	C8	C19	C25	179.2°	180.0°
C2	C8	C18	H35	0.0°	0.2°
C2	C8	C19	H36	0.8°	0.2°
C8	C2	C3	H27	6.7°	0.0°
C9	C6	O11	N20	176.7°	180.0°
C6	C9	C16	C17	178.4°	179.9°
C6	C9	C16	C15	179.8°	180.0°
C6	C9	C17	C14	179.2°	179.5°
C6	C9	C16	H33	0.2°	0.0°
C6	C9	C17	H34	0.8°	0.0°
C9	C6	N20	H38	176.9°	0.0°
C9	C6	N20	H37	3.2°	180.0°
O11	C6	C9	C16	20.6°	0.0°
O11	C6	C9	C17	157.7°	179.9°
O11	C6	N20	H38	0.0°	180.0°
O11	C6	N20	H37	180.0°	0.0°
C4	C12	C21	C10	177.1°	180.0°
C4	C12	C21	H30	120.7°	120.0°
C4	C12	C21	H29	120.7°	120.0°
C4	C12	C21	H40	57.0°	60.0°
C4	C12	C21	H39	62.8°	60.0°
C12	C4	C5	H28	1.3°	0.1°
C4	C12	H30	H29	117.8°	120.1°
O13	C10	C21	O23	179.7°	179.7°
O13	C10	C21	C12	66.3°	0.0°
O13	C10	C21	H40	53.9°	120.0°
O13	C10	C21	H39	173.6°	119.9°
O13	C10	O23	H1	0.0°	0.1°
C14	C7	C15	C16	3.2°	0.0°
C7	C14	C17	C9	3.3°	0.8°
C7	C14	C17	H31	180.0°	179.4°
C14	C7	C15	H32	176.8°	179.7°
C7	C14	C17	H34	176.7°	179.7°
C7	C15	C16	C9	2.2°	0.2°
C7	C15	C16	H32	180.0°	179.7°
C15	C7	C14	C17	3.7°	0.5°
C7	C15	C16	H33	177.8°	179.8°
C15	C7	C14	H31	176.3°	179.9°
C9	C16	C15	H33	180.0°	180.0°
C16	C9	C17	C14	2.5°	0.6°
C16	C9	C6	N20	162.4°	180.0°
C9	C16	C15	H32	177.8°	179.9°
C16	C9	C17	H34	177.5°	180.0°
C15	C16	C9	C17	1.9°	0.1°
C9	C17	C14	H34	180.0°	179.5°
C17	C9	C6	N20	19.3°	0.0°
C17	C9	C16	H33	178.1°	180.0°
C9	C17	C14	H31	176.7°	179.8°
C8	C18	C24	H35	180.0°	179.8°
C8	C18	C24	C22	0.6°	0.2°
C18	C8	C19	C25	2.5°	0.0°
C18	C8	C19	H36	177.5°	179.8°
C8	C18	C24	H42	179.4°	179.7°
C19	C8	C18	C24	1.7°	0.0°
C8	C19	C25	H36	180.0°	179.8°
C8	C19	C25	C22	2.3°	0.2°
C19	C8	C18	H35	178.3°	179.8°
C8	C19	C25	H43	177.7°	179.7°
C6	N20	H38	H37	180.0°	179.9°
C10	C21	C12	H40	120.1°	120.0°
C10	C21	C12	H39	120.1°	120.0°
C10	C21	H40	H39	119.6°	120.0°
C10	C21	C12	H30	56.4°	60.0°
C10	C21	C12	H29	62.2°	60.0°
C21	C10	O23	H1	179.7°	179.7°
C12	C21	C10	O23	113.5°	179.7°
C12	C21	H40	H39	119.6°	120.0°
C21	C12	H30	H29	117.8°	119.9°
O23	C10	C21	H40	126.4°	60.3°
O23	C10	C21	H39	6.6°	59.7°
C18	C24	C22	H42	180.0°	179.9°
C18	C24	C22	C25	0.2°	0.5°
C18	C24	C22	F26	179.5°	180.0°
C24	C22	C25	C19	1.0°	0.5°
C24	C22	C25	F26	179.7°	179.6°
C22	C24	C18	H35	179.4°	180.0°
C24	C22	C25	H43	178.9°	179.5°
C19	C25	C22	H43	180.0°	179.9°
C19	C25	C22	F26	178.7°	180.0°
C22	C25	C19	H36	177.7°	180.0°
C25	C22	C24	H42	179.8°	179.5°
F26	C22	C24	H42	0.5°	0.1°
F26	C22	C25	H43	1.4°	0.1°
H32	C15	C16	H33	2.2°	0.0°
H34	C17	C14	H31	3.3°	0.3°
H35	C18	C24	H42	0.6°	0.1°
H36	C19	C25	H43	2.3°	0.1°
H40	C21	C12	H30	63.8°	NaN°
H40	C21	C12	H29	177.7°	60.0°
H39	C21	C12	H30	176.5°	60.0°
H39	C21	C12	H29	57.9°	179.9°
H27	C3	C5	H28	0.2°	0.0°

Release date:	2023-06-14
Definition date:	2023-05-05
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7FWD