3FR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C31	C30	doub	1.38Å	1.39Å	Aromatic
C31	C32	sing	1.38Å	1.39Å	Aromatic
C30	C29	sing	1.38Å	1.39Å	Aromatic
C28	C22	sing	1.48Å	1.49Å	Aromatic
C28	C33	sing	1.41Å	1.40Å	Aromatic
C28	C29	doub	1.39Å	1.40Å	Aromatic
C26	C17	sing	1.51Å	1.50Å
C24	C7	sing	1.53Å	1.53Å
C23	C22	doub	1.39Å	1.40Å	Aromatic
C23	C18	sing	1.39Å	1.41Å	Aromatic
C22	C21	sing	1.40Å	1.39Å	Aromatic
C17	C12	sing	1.46Å	1.49Å	Aromatic
C17	N16	doub	1.30Å	1.35Å	Aromatic
C20	C21	doub	1.38Å	1.39Å	Aromatic
C20	CL	sing	1.74Å	1.79Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
C12	C13	doub	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.41Å	1.39Å	Aromatic
C13	N14	sing	1.32Å	1.34Å	Aromatic
C11	C10	doub	1.39Å	1.39Å	Aromatic
C11	N15	sing	1.37Å	1.35Å	Aromatic
C10	C9	sing	1.38Å	1.40Å	Aromatic
C9	N14	doub	1.33Å	1.36Å	Aromatic
C9	N8	sing	1.39Å	1.36Å
C7	C5	sing	1.51Å	1.49Å
C7	N8	sing	1.47Å	1.46Å
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C6	C1	doub	1.38Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.39Å	Aromatic
O36	C34	doub	1.22Å	1.22Å
C34	N35	sing	1.35Å	1.33Å
C34	C33	sing	1.48Å	1.50Å
C33	C32	doub	1.39Å	1.40Å	Aromatic
C19	C18	doub	1.39Å	1.40Å	Aromatic
C18	N15	sing	1.40Å	1.35Å	Aromatic
N15	N16	sing	1.40Å	1.41Å	Aromatic
C31	H31	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C26	H26B	sing	1.09Å	1.10Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C24	H24B	sing	1.09Å	1.10Å
C23	H23	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
N35	HN35	sing	0.97Å	1.00Å
N35	HN3A	sing	0.97Å	1.00Å
C32	H32	sing	1.08Å	1.08Å
C29	H29	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
N8	HN8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C30	C31	C32	119.8°	120.4°
C31	C30	C29	119.9°	120.4°
C30	C31	H31	120.1°	119.8°
C31	C30	H30	120.1°	119.8°
C31	C32	C33	120.4°	120.0°
C32	C31	H31	120.1°	119.8°
C31	C32	H32	119.8°	120.0°
C30	C29	C28	120.5°	120.0°
C29	C30	H30	120.0°	119.8°
C30	C29	H29	119.7°	119.9°
C22	C28	C33	121.7°	120.2°
C22	C28	C29	118.9°	120.1°
C28	C22	C23	121.6°	120.1°
C28	C22	C21	118.6°	120.1°
C33	C28	C29	119.4°	119.6°
C28	C33	C34	121.3°	120.2°
C28	C33	C32	120.0°	119.6°
C28	C29	H29	119.8°	120.1°
C26	C17	C12	117.1°	126.0°
C26	C17	N16	133.3°	126.1°
C17	C26	H26	109.5°	109.5°
C17	C26	H26A	109.5°	109.4°
C17	C26	H26B	109.5°	109.5°
C24	C7	C5	109.5°	109.5°
C24	C7	N8	108.8°	109.5°
C7	C24	H24	109.5°	109.5°
C7	C24	H24A	109.5°	109.4°
C7	C24	H24B	109.4°	109.5°
C24	C7	H7	111.4°	109.5°
C22	C23	C18	123.1°	119.8°
C23	C22	C21	119.8°	119.8°
C22	C23	H23	118.4°	120.1°
C23	C18	C19	114.6°	120.0°
C23	C18	N15	124.9°	120.0°
C18	C23	H23	118.5°	120.1°
C22	C21	C20	119.0°	120.0°
C22	C21	H21	120.5°	120.0°
C12	C17	N16	109.5°	107.8°
C17	C12	C13	132.1°	134.8°
C17	C12	C11	106.3°	106.1°
C17	N16	N15	103.4°	110.2°
C21	C20	CL	120.2°	119.9°
C21	C20	C19	119.8°	120.1°
C20	C21	H21	120.5°	119.9°
CL	C20	C19	120.0°	119.9°
C20	C19	C18	123.7°	120.2°
C20	C19	H19	118.2°	119.9°
C13	C12	C11	121.6°	119.1°
C12	C13	N14	118.8°	120.3°
C12	C13	H13	120.6°	119.9°
C12	C11	C10	118.3°	118.3°
C12	C11	N15	105.0°	106.8°
C13	N14	C9	121.9°	122.3°
N14	C13	H13	120.6°	119.8°
C10	C11	N15	136.7°	134.9°
C11	C10	C9	119.2°	118.8°
C11	C10	H10	120.4°	120.6°
C11	N15	C18	125.2°	125.5°
C11	N15	N16	115.7°	109.1°
C10	C9	N14	120.2°	121.3°
C10	C9	N8	122.3°	119.4°
C9	C10	H10	120.4°	120.6°
N14	C9	N8	117.5°	119.3°
C9	N8	C7	126.2°	120.0°
C9	N8	HN8	104.2°	120.1°
C5	C7	N8	113.7°	109.4°
C7	C5	C4	118.9°	120.0°
C7	C5	C6	122.0°	120.0°
C5	C7	H7	106.3°	109.5°
N8	C7	H7	107.1°	109.4°
C7	N8	HN8	104.2°	120.0°
C5	C4	C3	120.4°	120.0°
C4	C5	C6	119.1°	120.0°
C5	C4	H4	119.8°	120.0°
C4	C3	C2	120.2°	120.1°
C3	C4	H4	119.8°	120.0°
C4	C3	H3	119.9°	120.0°
C5	C6	C1	120.6°	120.0°
C5	C6	H6	119.7°	120.0°
C6	C1	C2	119.9°	120.0°
C1	C6	H6	119.7°	120.0°
C6	C1	H1	120.0°	120.0°
C3	C2	C1	119.8°	120.0°
C2	C3	H3	119.9°	119.9°
C3	C2	H2	120.1°	120.1°
C1	C2	H2	120.1°	120.0°
C2	C1	H1	120.0°	120.0°
O36	C34	N35	121.9°	120.0°
O36	C34	C33	119.4°	120.0°
N35	C34	C33	118.7°	120.0°
C34	N35	HN35	112.7°	120.0°
C34	N35	HN3A	123.6°	120.0°
C34	C33	C32	118.7°	120.2°
C33	C32	H32	119.8°	120.0°
C19	C18	N15	120.5°	120.1°
C18	C19	H19	118.1°	119.9°
C18	N15	N16	119.1°	125.5°
H26	C26	H26A	109.5°	109.5°
H26	C26	H26B	109.5°	109.5°
H26A	C26	H26B	109.5°	109.4°
H24	C24	H24A	109.5°	109.5°
H24	C24	H24B	109.4°	109.5°
H24A	C24	H24B	109.5°	109.4°
HN35	N35	HN3A	123.7°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C30	C31	C32	H31	180.0°	179.7°
C31	C30	C29	H30	180.0°	179.9°
C31	C30	C29	C28	0.2°	0.0°
C30	C31	C32	C33	0.0°	0.0°
C30	C31	C32	H32	180.0°	180.0°
C31	C30	C29	H29	179.8°	179.9°
C32	C31	C30	C29	0.0°	0.0°
C31	C32	C33	C28	0.2°	0.0°
C31	C32	C33	C34	179.9°	180.0°
C31	C32	C33	H32	180.0°	180.0°
C32	C31	C30	H30	180.0°	179.9°
C30	C29	C28	C22	179.7°	180.0°
C30	C29	C28	C33	0.5°	0.0°
C30	C29	C28	H29	180.0°	179.9°
C29	C30	C31	H31	180.0°	179.7°
C22	C28	C33	C29	179.2°	180.0°
C28	C22	C23	C21	179.8°	180.0°
C28	C22	C23	C18	179.6°	180.0°
C28	C22	C21	C20	179.9°	180.0°
C22	C28	C33	C34	0.5°	0.1°
C22	C28	C33	C32	179.6°	180.0°
C28	C22	C23	H23	0.4°	0.3°
C22	C28	C29	H29	0.4°	0.1°
C28	C22	C21	H21	0.1°	0.0°
C33	C28	C22	C23	64.9°	123.2°
C33	C28	C22	C21	115.3°	56.8°
C28	C33	C34	O36	74.0°	23.8°
C28	C33	C34	N35	106.0°	156.2°
C28	C33	C34	C32	179.8°	179.9°
C28	C33	C32	H32	179.7°	180.0°
C33	C28	C29	H29	179.5°	179.9°
C29	C28	C22	C23	115.9°	56.8°
C29	C28	C22	C21	63.9°	123.2°
C29	C28	C33	C34	179.7°	179.9°
C29	C28	C33	C32	0.5°	0.0°
C28	C29	C30	H30	179.8°	180.0°
C26	C17	C12	N16	179.9°	179.8°
C26	C17	C12	C13	0.0°	0.0°
C26	C17	C12	C11	180.0°	180.0°
C26	C17	N16	N15	179.9°	179.8°
C17	C26	H26	H26A	120.0°	120.0°
C17	C26	H26	H26B	120.0°	120.1°
C17	C26	H26A	H26B	120.0°	120.0°
C24	C7	N8	C9	179.3°	85.0°
C24	C7	C5	N8	121.9°	120.0°
C24	C7	C5	H7	120.5°	120.1°
C24	C7	N8	H7	120.5°	120.0°
C24	C7	C5	C4	85.4°	99.9°
C24	C7	C5	C6	94.9°	79.9°
C7	C24	H24	H24A	120.0°	120.0°
C7	C24	H24	H24B	120.0°	120.1°
C7	C24	H24A	H24B	120.0°	120.0°
C24	C7	N8	HN8	60.7°	94.9°
C22	C23	C18	H23	180.0°	179.7°
C23	C22	C21	C20	0.1°	0.0°
C22	C23	C18	C19	0.5°	0.1°
C22	C23	C18	N15	179.3°	180.0°
C23	C22	C21	H21	179.9°	180.0°
C18	C23	C22	C21	0.2°	0.0°
C23	C18	C19	C20	0.6°	0.1°
C23	C18	N15	C11	48.2°	145.0°
C23	C18	C19	N15	178.8°	179.9°
C23	C18	N15	N16	132.1°	34.8°
C23	C18	C19	H19	179.4°	180.0°
C22	C21	C20	H21	180.0°	180.0°
C22	C21	C20	CL	180.0°	180.0°
C22	C21	C20	C19	0.1°	0.0°
C21	C22	C23	H23	179.8°	179.7°
C17	C12	C13	C11	180.0°	179.9°
C17	C12	C13	N14	180.0°	180.0°
C17	C12	C11	C10	179.8°	180.0°
C17	C12	C11	N15	0.2°	0.1°
C12	C17	N16	N15	0.0°	0.3°
C12	C17	C26	H26	146.9°	90.0°
C12	C17	C26	H26A	93.1°	150.0°
C12	C17	C26	H26B	26.9°	30.1°
C17	C12	C13	H13	0.0°	0.0°
N16	C17	C12	C13	179.9°	179.8°
N16	C17	C12	C11	0.1°	0.2°
C17	N16	N15	C11	0.1°	0.4°
C17	N16	N15	C18	179.8°	179.8°
N16	C17	C26	H26	33.2°	90.2°
N16	C17	C26	H26A	86.8°	29.7°
N16	C17	C26	H26B	153.2°	149.7°
C21	C20	CL	C19	179.9°	180.0°
C21	C20	C19	C18	0.3°	0.1°
C21	C20	C19	H19	179.7°	180.0°
CL	C20	C19	C18	179.6°	179.9°
CL	C20	C21	H21	0.1°	0.1°
CL	C20	C19	H19	0.4°	0.0°
C20	C19	C18	H19	180.0°	179.9°
C20	C19	C18	N15	179.4°	180.0°
C19	C20	C21	H21	179.9°	180.0°
C12	C13	N14	H13	180.0°	180.0°
C13	C12	C11	C10	0.2°	0.1°
C13	C12	C11	N15	179.8°	180.0°
C12	C13	N14	C9	0.0°	0.1°
C11	C12	C13	N14	0.0°	0.0°
C12	C11	C10	N15	179.9°	179.9°
C12	C11	C10	C9	0.3°	0.1°
C12	C11	N15	C18	179.9°	179.9°
C12	C11	N15	N16	0.2°	0.3°
C11	C12	C13	H13	180.0°	180.0°
C12	C11	C10	H10	179.7°	180.0°
C13	N14	C9	C10	0.1°	0.1°
C13	N14	C9	N8	179.6°	179.9°
C11	C10	C9	H10	180.0°	179.9°
C11	C10	C9	N14	0.2°	0.1°
C11	C10	C9	N8	179.4°	179.9°
C10	C11	N15	C18	0.1°	0.0°
C10	C11	N15	N16	179.8°	179.8°
N15	C11	C10	C9	179.8°	180.0°
C11	N15	C18	C19	133.1°	35.0°
C11	N15	C18	N16	179.7°	179.8°
N15	C11	C10	H10	0.2°	0.1°
C10	C9	N14	N8	179.7°	180.0°
C10	C9	N8	C7	0.4°	0.0°
C10	C9	N8	HN8	120.5°	180.0°
N14	C9	N8	C7	179.9°	179.9°
C9	N14	C13	H13	180.0°	179.9°
N14	C9	C10	H10	179.8°	180.0°
N14	C9	N8	HN8	59.9°	0.0°
C9	N8	C7	C5	57.0°	155.0°
C9	N8	C7	HN8	120.0°	179.9°
N8	C9	C10	H10	0.5°	0.0°
C9	N8	C7	H7	60.1°	35.0°
C5	C7	N8	H7	117.1°	119.9°
C7	C5	C4	C6	179.7°	179.8°
C7	C5	C4	C3	180.0°	180.0°
C7	C5	C6	C1	179.7°	179.9°
C5	C7	C24	H24	115.4°	60.0°
C5	C7	C24	H24A	4.6°	180.0°
C5	C7	C24	H24B	124.6°	60.0°
C7	C5	C4	H4	0.0°	0.4°
C7	C5	C6	H6	0.3°	0.1°
C5	C7	N8	HN8	177.0°	25.1°
N8	C7	C5	C4	152.7°	140.0°
N8	C7	C5	C6	27.0°	40.1°
N8	C7	C24	H24	9.4°	180.0°
N8	C7	C24	H24A	129.5°	60.0°
N8	C7	C24	H24B	110.5°	60.0°
C5	C4	C3	H4	180.0°	179.6°
C4	C5	C6	C1	0.0°	0.1°
C5	C4	C3	C2	0.3°	0.1°
C4	C5	C7	H7	35.2°	20.1°
C4	C5	C6	H6	180.0°	179.9°
C5	C4	C3	H3	179.6°	179.9°
C3	C4	C5	C6	0.3°	0.1°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	H2	179.9°	180.0°
C5	C6	C1	H6	180.0°	180.0°
C5	C6	C1	C2	0.3°	0.0°
C6	C5	C7	H7	144.5°	160.0°
C6	C5	C4	H4	179.7°	179.7°
C5	C6	C1	H1	179.7°	180.0°
C6	C1	C2	C3	0.2°	0.1°
C6	C1	C2	H1	180.0°	180.0°
C6	C1	C2	H2	179.8°	180.0°
C3	C2	C1	H2	180.0°	180.0°
C2	C3	C4	H4	179.6°	179.7°
C3	C2	C1	H1	179.8°	180.0°
C2	C1	C6	H6	179.7°	180.0°
C1	C2	C3	H3	179.9°	180.0°
O36	C34	N35	C33	179.9°	179.9°
O36	C34	C33	C32	106.2°	156.2°
O36	C34	N35	HN35	180.0°	0.1°
O36	C34	N35	HN3A	0.0°	180.0°
N35	C34	C33	C32	73.9°	23.7°
C34	N35	HN35	HN3A	180.0°	180.0°
C33	C34	N35	HN35	0.1°	180.0°
C33	C34	N35	HN3A	179.9°	0.0°
C34	C33	C32	H32	0.1°	0.0°
C33	C32	C31	H31	180.0°	179.7°
C19	C18	N15	N16	46.5°	145.3°
C19	C18	C23	H23	179.5°	179.7°
N15	C18	C23	H23	0.7°	0.3°
N15	C18	C19	H19	0.6°	0.0°
H31	C31	C30	H30	0.0°	0.2°
H31	C31	C32	H32	0.0°	0.3°
H30	C30	C29	H29	0.2°	0.1°
H26	C26	H26A	H26B	120.0°	120.0°
H24	C24	H24A	H24B	120.0°	120.0°
H24	C24	C7	H7	127.3°	60.0°
H24A	C24	C7	H7	112.7°	60.0°
H24B	C24	C7	H7	7.3°	179.9°
H7	C7	N8	HN8	59.9°	145.1°
H4	C4	C3	H3	0.4°	0.3°
H6	C6	C1	H1	0.3°	0.0°
H3	C3	C2	H2	0.1°	0.0°
H2	C2	C1	H1	0.2°	0.0°

Definition date:	2008-06-16
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3DBD