C8X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.42Å
C11	O5	sing	1.45Å	1.51Å
C11	C12	sing	1.53Å	1.58Å
O5	C10	sing	1.35Å	1.49Å
C12	O6	sing	1.43Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.40Å	1.40Å	Aromatic
C10	C7	sing	1.48Å	1.50Å
C10	O4	doub	1.22Å	1.21Å
C5	C4	sing	1.40Å	1.40Å	Aromatic
C7	C8	doub	1.40Å	1.40Å	Aromatic
C2	O2	sing	1.45Å	1.47Å
C4	C3	sing	1.48Å	1.53Å
C4	C9	doub	1.40Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
O3	C3	doub	1.21Å	1.22Å
C3	O2	sing	1.35Å	1.50Å
C12	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å
C8	H12	sing	1.08Å	1.08Å
O1	H13	sing	0.97Å	0.95Å
O6	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	110.3°	109.5°
O1	C1	H9	109.3°	109.4°
O1	C1	H10	109.3°	109.5°
C1	O1	H13	109.5°	114.0°
O5	C11	C12	127.5°	109.5°
C11	O5	C10	131.7°	117.0°
O5	C11	H4	104.8°	109.5°
O5	C11	H5	104.8°	109.5°
C11	C12	O6	123.3°	109.5°
C11	C12	H1	105.9°	109.5°
C11	C12	H2	105.9°	109.5°
C12	C11	H4	104.8°	109.5°
C12	C11	H5	104.8°	109.5°
O5	C10	C7	126.8°	120.0°
O5	C10	O4	117.2°	120.0°
O6	C12	H1	105.9°	109.5°
O6	C12	H2	105.9°	109.4°
C12	O6	H14	109.5°	114.0°
C1	C2	O2	115.2°	109.5°
C1	C2	H7	108.0°	109.5°
C1	C2	H8	108.0°	109.5°
C2	C1	H9	109.2°	109.5°
C2	C1	H10	109.3°	109.5°
C5	C6	C7	120.3°	120.0°
C6	C5	C4	120.2°	120.0°
C5	C6	H3	119.9°	120.0°
C6	C5	H6	119.9°	120.0°
C6	C7	C10	123.0°	120.0°
C6	C7	C8	119.1°	120.0°
C7	C6	H3	119.8°	120.0°
C7	C10	O4	115.6°	120.0°
C10	C7	C8	117.9°	120.0°
C5	C4	C3	119.9°	120.0°
C5	C4	C9	119.8°	120.0°
C4	C5	H6	119.9°	120.0°
C7	C8	C9	120.8°	120.0°
C7	C8	H12	119.6°	120.0°
C2	O2	C3	130.0°	117.0°
O2	C2	H7	108.0°	109.5°
O2	C2	H8	108.0°	109.5°
C3	C4	C9	120.4°	120.0°
C4	C3	O3	118.4°	120.0°
C4	C3	O2	124.6°	120.0°
C4	C9	C8	119.8°	120.0°
C4	C9	H11	120.1°	120.0°
C8	C9	H11	120.1°	120.0°
C9	C8	H12	119.6°	120.0°
O3	C3	O2	117.0°	120.0°
H1	C12	H2	109.5°	109.4°
H4	C11	H5	109.5°	109.4°
H7	C2	H8	109.5°	109.4°
H9	C1	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H9	120.1°	120.0°
O1	C1	C2	H10	120.1°	120.0°
O1	C1	C2	O2	177.8°	65.0°
O1	C1	C2	H7	61.4°	175.0°
O1	C1	C2	H8	56.9°	55.0°
O1	C1	H9	H10	119.7°	119.9°
O5	C11	C12	H4	122.4°	120.0°
O5	C11	C12	H5	122.4°	120.0°
O5	C11	C12	O6	135.7°	64.9°
C11	O5	C10	C7	115.6°	180.0°
C11	O5	C10	O4	72.1°	0.1°
O5	C11	C12	H1	13.8°	175.0°
O5	C11	C12	H2	102.4°	55.0°
O5	C11	H4	H5	111.9°	120.0°
C12	C11	O5	C10	75.2°	180.0°
C11	C12	O6	H1	121.9°	120.1°
C11	C12	O6	H2	121.9°	120.0°
C11	C12	H1	H2	113.8°	120.0°
C12	C11	H4	H5	112.0°	120.0°
C11	C12	O6	H14	180.0°	180.0°
O5	C10	C7	C6	18.8°	180.0°
O5	C10	C7	O4	172.4°	180.0°
O5	C10	C7	C8	158.4°	0.0°
C10	O5	C11	H4	162.5°	60.0°
C10	O5	C11	H5	47.2°	60.0°
O6	C12	H1	H2	113.8°	119.9°
O6	C12	C11	H4	101.9°	175.0°
O6	C12	C11	H5	13.3°	55.1°
C1	C2	O2	H7	120.8°	120.0°
C1	C2	O2	H8	120.8°	120.0°
C1	C2	O2	C3	23.5°	180.0°
C1	C2	H7	H8	117.4°	119.9°
C2	C1	H9	H10	119.6°	120.1°
C2	C1	O1	H13	180.0°	180.0°
C5	C6	C7	H3	180.0°	179.7°
C5	C6	C7	C10	178.2°	180.0°
C6	C5	C4	H6	180.0°	180.0°
C5	C6	C7	C8	0.9°	0.0°
C6	C5	C4	C3	177.5°	180.0°
C6	C5	C4	C9	0.8°	0.0°
C6	C7	C10	C8	177.3°	180.0°
C6	C7	C10	O4	168.8°	0.0°
C7	C6	C5	C4	0.9°	0.0°
C6	C7	C8	C9	1.0°	0.0°
C7	C6	C5	H6	179.1°	180.0°
C6	C7	C8	H12	179.0°	180.0°
C10	C7	C8	C9	178.4°	180.0°
C10	C7	C6	H3	1.8°	0.3°
C10	C7	C8	H12	1.6°	0.1°
O4	C10	C7	C8	13.9°	180.0°
C5	C4	C3	C9	178.4°	180.0°
C5	C4	C9	C8	0.9°	0.0°
C5	C4	C3	O3	29.8°	0.0°
C5	C4	C3	O2	147.1°	180.0°
C4	C5	C6	H3	179.1°	179.7°
C5	C4	C9	H11	179.1°	180.0°
C7	C8	C9	C4	1.0°	0.0°
C7	C8	C9	H12	180.0°	180.0°
C8	C7	C6	H3	179.0°	179.7°
C7	C8	C9	H11	179.0°	180.0°
C2	O2	C3	C4	46.1°	180.0°
C2	O2	C3	O3	130.8°	0.0°
O2	C2	H7	H8	117.4°	120.0°
O2	C2	C1	H9	57.7°	175.0°
O2	C2	C1	H10	62.1°	55.0°
C3	C4	C9	C8	177.4°	180.0°
C4	C3	O3	O2	177.1°	180.0°
C3	C4	C5	H6	2.5°	0.0°
C3	C4	C9	H11	2.6°	0.0°
C4	C9	C8	H11	180.0°	180.0°
C9	C4	C3	O3	151.8°	180.0°
C9	C4	C3	O2	31.3°	0.1°
C9	C4	C5	H6	179.1°	180.0°
C4	C9	C8	H12	179.0°	180.0°
C3	O2	C2	H7	144.4°	60.0°
C3	O2	C2	H8	97.3°	60.0°
H1	C12	C11	H4	136.2°	55.0°
H1	C12	C11	H5	108.6°	65.0°
H1	C12	O6	H14	58.2°	59.9°
H2	C12	C11	H4	19.9°	65.0°
H2	C12	C11	H5	135.2°	175.0°
H2	C12	O6	H14	58.1°	60.1°
H3	C6	C5	H6	0.9°	0.3°
H7	C2	C1	H9	178.5°	55.0°
H7	C2	C1	H10	58.8°	65.0°
H8	C2	C1	H9	63.2°	64.9°
H8	C2	C1	H10	177.1°	175.0°
H9	C1	O1	H13	59.9°	60.0°
H10	C1	O1	H13	59.9°	60.0°
H11	C9	C8	H12	1.0°	0.1°

Release date:	2020-04-15
Definition date:	2019-04-16
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	6JTT