SB8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.40Å	1.42Å	Aromatic
C1	C6	doub	1.38Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	doub	1.40Å	1.42Å	Aromatic
C2	C7	sing	1.48Å	1.48Å
C3	C4	sing	1.38Å	1.42Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	doub	1.39Å	1.42Å	Aromatic
C4	O24	sing	1.36Å	1.42Å
C5	C6	sing	1.38Å	1.42Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	O8	doub	1.22Å	1.23Å
C7	C9	sing	1.48Å	1.49Å
C9	C10	sing	1.40Å	1.44Å	Aromatic
C9	C14	doub	1.40Å	1.43Å	Aromatic
C10	C11	doub	1.38Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C11	C12	sing	1.38Å	1.53Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C12	C13	doub	1.38Å	1.41Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	sing	1.38Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	H14	sing	1.08Å	1.10Å
O24	C25	sing	1.43Å	1.43Å
C25	C26	sing	1.53Å	1.53Å
C25	H251	sing	1.09Å	1.11Å
C25	H252	sing	1.09Å	1.11Å
C26	N29	sing	1.46Å	1.46Å
C26	H261	sing	1.09Å	1.11Å
C26	H262	sing	1.09Å	1.11Å
N29	O32	sing	1.42Å	1.40Å
N29	C34	sing	1.35Å	1.36Å
O32	H32	sing	0.97Å	0.95Å
C34	O35	doub	1.21Å	1.22Å
C34	H34	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.1°	120.0°
C2	C1	H1	120.4°	120.1°
C1	C2	C3	119.3°	119.8°
C1	C2	C7	119.4°	120.1°
C6	C1	H1	119.5°	120.0°
C1	C6	C5	120.1°	120.2°
C1	C6	H6	119.7°	119.9°
C3	C2	C7	121.3°	120.1°
C2	C3	C4	121.4°	119.8°
C2	C3	H3	119.2°	120.1°
C2	C7	O8	119.5°	120.0°
C2	C7	C9	120.6°	120.0°
C4	C3	H3	119.4°	120.1°
C3	C4	C5	118.4°	120.0°
C3	C4	O24	117.9°	120.0°
C5	C4	O24	123.6°	120.0°
C4	C5	C6	120.7°	120.3°
C4	C5	H5	119.8°	119.9°
C4	O24	C25	119.0°	106.8°
C6	C5	H5	119.5°	119.8°
C5	C6	H6	120.1°	119.9°
O8	C7	C9	119.9°	120.0°
C7	C9	C10	123.0°	120.2°
C7	C9	C14	117.5°	120.1°
C10	C9	C14	119.6°	119.7°
C9	C10	C11	120.4°	119.9°
C9	C10	H10	120.6°	120.0°
C9	C14	C13	122.3°	119.8°
C9	C14	H14	119.3°	120.1°
C11	C10	H10	118.9°	120.1°
C10	C11	C12	118.8°	120.1°
C10	C11	H11	116.7°	119.9°
C12	C11	H11	124.5°	120.0°
C11	C12	C13	118.8°	120.3°
C11	C12	H12	124.6°	119.8°
C13	C12	H12	116.6°	119.9°
C12	C13	C14	120.1°	120.2°
C12	C13	H13	119.8°	119.9°
C14	C13	H13	120.2°	119.9°
C13	C14	H14	118.4°	120.1°
O24	C25	C26	109.8°	109.4°
O24	C25	H251	112.0°	109.5°
O24	C25	H252	112.0°	109.5°
C26	C25	H251	112.1°	109.5°
C26	C25	H252	112.1°	109.5°
C25	C26	N29	110.9°	109.5°
C25	C26	H261	111.7°	109.5°
C25	C26	H262	111.7°	109.4°
H251	C25	H252	98.4°	109.5°
N29	C26	H261	111.7°	109.5°
N29	C26	H262	111.7°	109.5°
C26	N29	O32	120.4°	120.0°
C26	N29	C34	117.7°	120.0°
H261	C26	H262	98.7°	109.5°
O32	N29	C34	121.9°	120.0°
N29	O32	H32	120.3°	106.8°
N29	C34	O35	124.6°	120.0°
N29	C34	H34	123.6°	120.0°
O35	C34	H34	111.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	180.0°
C1	C2	C3	C7	179.9°	179.8°
C1	C2	C3	C4	0.5°	0.5°
C1	C2	C3	H3	179.6°	179.9°
C2	C1	C6	C5	0.1°	0.0°
C2	C1	C6	H6	179.9°	180.0°
C1	C2	C7	O8	123.9°	7.6°
C1	C2	C7	C9	57.6°	172.4°
C6	C1	C2	C3	0.2°	0.2°
C6	C1	C2	C7	179.8°	180.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	180.0°	180.0°
H1	C1	C2	C3	179.8°	179.8°
H1	C1	C2	C7	0.1°	0.0°
H1	C1	C6	C5	179.9°	180.0°
H1	C1	C6	H6	0.1°	0.0°
C2	C3	C4	H3	179.9°	179.4°
C2	C3	C4	C5	0.5°	0.6°
C2	C3	C4	O24	179.9°	179.8°
C3	C2	C7	O8	56.0°	172.2°
C3	C2	C7	C9	122.5°	7.8°
C7	C2	C3	C4	179.6°	179.7°
C7	C2	C3	H3	0.3°	0.3°
C2	C7	O8	C9	178.6°	180.0°
C2	C7	C9	C10	50.2°	146.3°
C2	C7	C9	C14	129.8°	33.9°
C3	C4	C5	O24	179.4°	179.6°
C3	C4	C5	C6	0.3°	0.3°
C3	C4	C5	H5	179.8°	179.7°
C3	C4	O24	C25	0.3°	179.7°
H3	C3	C4	C5	179.6°	180.0°
H3	C3	C4	O24	0.1°	0.4°
C4	C5	C6	H5	179.9°	179.9°
C4	C5	C6	H6	179.9°	180.0°
C5	C4	O24	C25	179.7°	0.0°
O24	C4	C5	C6	179.7°	180.0°
O24	C4	C5	H5	0.4°	0.1°
C4	O24	C25	C26	179.6°	180.0°
C4	O24	C25	H251	55.1°	60.0°
C4	O24	C25	H252	54.4°	60.0°
H5	C5	C6	H6	0.1°	0.0°
O8	C7	C9	C10	128.4°	33.7°
O8	C7	C9	C14	51.6°	146.1°
C7	C9	C10	C14	180.0°	179.8°
C7	C9	C10	C11	179.8°	179.7°
C7	C9	C10	H10	0.2°	0.2°
C7	C9	C14	C13	179.8°	180.0°
C7	C9	C14	H14	0.3°	0.0°
C9	C10	C11	H10	180.0°	179.4°
C9	C10	C11	C12	0.0°	0.6°
C9	C10	C11	H11	179.9°	179.7°
C10	C9	C14	C13	0.2°	0.2°
C10	C9	C14	H14	179.7°	179.8°
C14	C9	C10	C11	0.2°	0.5°
C14	C9	C10	H10	179.8°	180.0°
C9	C14	C13	C12	0.1°	0.1°
C9	C14	C13	H14	180.0°	180.0°
C9	C14	C13	H13	179.9°	180.0°
C10	C11	C12	H11	180.0°	179.7°
C10	C11	C12	C13	0.1°	0.3°
C10	C11	C12	H12	179.9°	179.7°
H10	C10	C11	C12	180.0°	180.0°
H10	C10	C11	H11	0.1°	0.3°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.0°	0.0°
C11	C12	C13	H13	180.0°	180.0°
H11	C11	C12	C13	180.0°	180.0°
H11	C11	C12	H12	0.0°	0.0°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	H14	179.8°	179.9°
H12	C12	C13	C14	180.0°	179.9°
H12	C12	C13	H13	0.0°	0.0°
H13	C13	C14	H14	0.2°	0.0°
O24	C25	C26	H251	125.2°	120.0°
O24	C25	C26	H252	125.2°	120.0°
O24	C25	H251	H252	118.0°	120.0°
O24	C25	C26	N29	67.3°	65.0°
O24	C25	C26	H261	167.5°	55.0°
O24	C25	C26	H262	58.0°	175.0°
C26	C25	H251	H252	118.0°	120.0°
C25	C26	N29	H261	125.3°	120.0°
C25	C26	N29	H262	125.2°	120.0°
C25	C26	H261	H262	117.6°	120.0°
C25	C26	N29	O32	72.9°	105.0°
C25	C26	N29	C34	107.2°	75.0°
H251	C25	C26	N29	58.0°	175.0°
H251	C25	C26	H261	67.3°	65.0°
H251	C25	C26	H262	176.8°	55.0°
H252	C25	C26	N29	167.5°	55.0°
H252	C25	C26	H261	42.2°	175.0°
H252	C25	C26	H262	67.3°	65.0°
N29	C26	H261	H262	117.6°	120.0°
C26	N29	O32	C34	179.9°	180.0°
C26	N29	O32	H32	180.0°	180.0°
C26	N29	C34	O35	161.9°	180.0°
C26	N29	C34	H34	18.1°	0.1°
H261	C26	N29	O32	52.4°	15.0°
H261	C26	N29	C34	127.5°	165.0°
H262	C26	N29	O32	161.9°	135.0°
H262	C26	N29	C34	18.0°	45.0°
O32	N29	C34	O35	18.2°	0.0°
O32	N29	C34	H34	161.8°	180.0°
C34	N29	O32	H32	0.1°	0.0°
N29	C34	O35	H34	180.0°	179.9°

Definition date:	2005-08-15
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	2AIA