YC8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.33Å
O2	C1	sing	1.35Å	1.23Å
C1	C2	sing	1.48Å	1.50Å
C5	N1	doub	1.32Å	1.35Å	Aromatic
N1	C4	sing	1.32Å	1.34Å	Aromatic
C6	C2	doub	1.41Å	1.39Å	Aromatic
C2	C3	sing	1.40Å	1.38Å	Aromatic
C7	N2	sing	1.35Å	1.33Å
N2	C6	sing	1.39Å	1.42Å
N2	HN2	sing	0.97Å	1.00Å
O2	HO2	sing	0.97Å	0.95Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C7	O3	doub	1.21Å	1.23Å
C4	H4	sing	1.08Å	1.08Å
C6	C5	sing	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C8	C7	sing	1.51Å	1.51Å
C9	C8	sing	1.53Å	1.51Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C10	C9	sing	1.53Å	1.51Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C11	C10	sing	1.51Å	1.51Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C12	C11	doub	1.38Å	1.39Å	Aromatic
C11	C16	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C14	doub	1.38Å	1.40Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C15	sing	1.38Å	1.39Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	C16	doub	1.38Å	1.39Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	120.5°	120.0°
O1	C1	C2	120.0°	120.0°
O2	C1	C2	119.5°	120.0°
C1	O2	HO2	109.5°	117.0°
C1	C2	C6	121.9°	120.9°
C1	C2	C3	119.5°	121.0°
C5	N1	C4	117.6°	122.2°
N1	C5	C6	122.1°	120.8°
N1	C5	H5	119.0°	119.6°
N1	C4	C3	123.8°	121.1°
N1	C4	H4	118.1°	119.4°
C6	C2	C3	118.6°	118.1°
C2	C6	N2	116.5°	120.7°
C2	C6	C5	119.4°	118.7°
C2	C3	C4	118.5°	119.1°
C2	C3	H3	120.8°	120.5°
C7	N2	C6	126.4°	120.0°
C7	N2	HN2	116.8°	120.0°
N2	C7	O3	126.3°	120.0°
N2	C7	C8	110.9°	120.0°
C6	N2	HN2	116.8°	120.0°
N2	C6	C5	124.1°	120.6°
C4	C3	H3	120.7°	120.5°
C3	C4	H4	118.1°	119.5°
O3	C7	C8	122.8°	120.0°
C6	C5	H5	118.9°	119.6°
C7	C8	C9	113.0°	109.4°
C7	C8	H8	108.6°	109.5°
C7	C8	H8A	108.6°	109.5°
C9	C8	H8	108.6°	109.5°
C9	C8	H8A	108.6°	109.5°
C8	C9	C10	111.9°	109.5°
C8	C9	H9	108.9°	109.5°
C8	C9	H9A	108.9°	109.5°
H8	C8	H8A	109.5°	109.5°
C10	C9	H9	108.8°	109.5°
C10	C9	H9A	108.9°	109.5°
C9	C10	C11	106.8°	109.5°
C9	C10	H10	110.1°	109.5°
C9	C10	H10A	110.1°	109.5°
H9	C9	H9A	109.5°	109.4°
C11	C10	H10	110.1°	109.4°
C11	C10	H10A	110.2°	109.5°
C10	C11	C12	120.1°	120.0°
C10	C11	C16	119.6°	120.0°
H10	C10	H10A	109.5°	109.4°
C12	C11	C16	120.3°	120.0°
C11	C12	C13	119.7°	120.0°
C11	C12	H12	120.2°	120.0°
C11	C16	C15	120.1°	120.0°
C11	C16	H16	119.9°	120.0°
C13	C12	H12	120.1°	120.0°
C12	C13	C14	119.9°	120.0°
C12	C13	H13	120.0°	120.0°
C14	C13	H13	120.0°	120.0°
C13	C14	C15	120.4°	120.0°
C13	C14	H14	119.8°	120.0°
C15	C14	H14	119.8°	120.0°
C14	C15	C16	119.6°	120.0°
C14	C15	H15	120.2°	120.0°
C16	C15	H15	120.2°	120.0°
C15	C16	H16	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.7°	179.7°
O1	C1	C2	C6	152.1°	5.0°
O1	C1	C2	C3	27.8°	175.1°
O1	C1	O2	HO2	0.0°	0.3°
O2	C1	C2	C6	28.2°	175.3°
O2	C1	C2	C3	151.9°	4.6°
C1	C2	C6	C3	179.9°	180.0°
C1	C2	C6	N2	1.3°	0.0°
C2	C1	O2	HO2	179.7°	180.0°
C1	C2	C3	C4	179.7°	180.0°
C1	C2	C3	H3	0.3°	0.0°
C1	C2	C6	C5	179.3°	180.0°
N1	C5	C6	C2	0.8°	0.0°
N1	C5	C6	N2	178.7°	180.0°
C5	N1	C4	C3	0.0°	0.0°
C5	N1	C4	H4	180.0°	179.9°
N1	C5	C6	H5	180.0°	180.0°
N1	C4	C3	C2	0.0°	0.1°
N1	C4	C3	H4	180.0°	179.9°
N1	C4	C3	H3	180.0°	180.0°
C4	N1	C5	C6	0.4°	0.0°
C4	N1	C5	H5	179.5°	180.0°
C2	C6	N2	C7	171.4°	145.3°
C2	C6	N2	C5	177.9°	180.0°
C2	C6	N2	HN2	8.6°	34.7°
C6	C2	C3	C4	0.4°	0.1°
C6	C2	C3	H3	179.6°	180.0°
C2	C6	C5	H5	179.1°	180.0°
C3	C2	C6	N2	178.8°	180.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	H4	180.0°	180.0°
C3	C2	C6	C5	0.8°	0.1°
C7	N2	C6	HN2	180.0°	180.0°
N2	C7	O3	C8	178.8°	180.0°
C7	N2	C6	C5	6.5°	34.7°
N2	C7	C8	C9	165.7°	180.0°
N2	C7	C8	H8	45.1°	60.0°
N2	C7	C8	H8A	73.8°	60.1°
C6	N2	C7	O3	4.5°	5.3°
N2	C6	C5	H5	1.3°	0.0°
C6	N2	C7	C8	174.5°	174.7°
HN2	N2	C7	O3	175.5°	174.7°
HN2	N2	C6	C5	173.5°	145.3°
HN2	N2	C7	C8	5.5°	5.3°
H3	C3	C4	H4	0.0°	0.1°
O3	C7	C8	C9	13.3°	0.0°
O3	C7	C8	H8	133.9°	120.0°
O3	C7	C8	H8A	107.2°	119.9°
C7	C8	C9	H8	120.5°	120.0°
C7	C8	C9	H8A	120.5°	120.0°
C7	C8	H8	H8A	118.4°	120.0°
C7	C8	C9	C10	84.2°	180.0°
C7	C8	C9	H9	36.2°	60.0°
C7	C8	C9	H9A	155.4°	60.0°
C9	C8	H8	H8A	118.4°	120.0°
C8	C9	C10	H9	120.4°	120.0°
C8	C9	C10	H9A	120.4°	120.0°
C8	C9	H9	H9A	118.9°	120.0°
C8	C9	C10	C11	164.7°	180.0°
C8	C9	C10	H10	45.1°	60.0°
C8	C9	C10	H10A	75.7°	60.0°
H8	C8	C9	C10	155.3°	60.0°
H8	C8	C9	H9	84.3°	180.0°
H8	C8	C9	H9A	34.9°	60.0°
H8A	C8	C9	C10	36.4°	60.0°
H8A	C8	C9	H9	156.7°	60.0°
H8A	C8	C9	H9A	84.0°	179.9°
C10	C9	H9	H9A	118.9°	120.0°
C9	C10	C11	H10	119.6°	120.0°
C9	C10	C11	H10A	119.6°	120.0°
C9	C10	H10	H10A	121.2°	120.0°
C9	C10	C11	C12	112.4°	89.7°
C9	C10	C11	C16	66.9°	90.0°
H9	C9	C10	C11	75.0°	60.0°
H9	C9	C10	H10	165.5°	180.0°
H9	C9	C10	H10A	44.6°	60.0°
H9A	C9	C10	C11	44.3°	60.0°
H9A	C9	C10	H10	75.3°	60.0°
H9A	C9	C10	H10A	163.9°	180.0°
C11	C10	H10	H10A	121.2°	120.0°
C10	C11	C12	C16	179.2°	179.7°
C10	C11	C12	C13	179.9°	180.0°
C10	C11	C12	H12	0.1°	0.0°
C10	C11	C16	C15	179.9°	179.8°
C10	C11	C16	H16	0.2°	0.0°
H10	C10	C11	C12	7.2°	150.3°
H10	C10	C11	C16	173.5°	30.0°
H10A	C10	C11	C12	128.1°	30.3°
H10A	C10	C11	C16	52.7°	150.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.3°	0.1°
C11	C12	C13	H13	179.7°	179.9°
C12	C11	C16	C15	0.6°	0.5°
C12	C11	C16	H16	179.4°	179.7°
C16	C11	C12	C13	0.6°	0.3°
C16	C11	C12	H12	179.3°	179.7°
C11	C16	C15	C14	0.3°	0.5°
C11	C16	C15	H16	180.0°	179.8°
C11	C16	C15	H15	179.8°	179.7°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	H14	179.9°	179.9°
H12	C12	C13	C14	179.7°	180.0°
H12	C12	C13	H13	0.3°	0.1°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	0.1°	0.2°
C13	C14	C15	H15	179.9°	180.0°
H13	C13	C14	C15	180.0°	180.0°
H13	C13	C14	H14	0.1°	0.1°
C14	C15	C16	H15	180.0°	179.8°
C14	C15	C16	H16	179.8°	179.7°
H14	C14	C15	C16	179.9°	179.9°
H14	C14	C15	H15	0.1°	0.1°
H15	C15	C16	H16	0.2°	0.1°

Release date:	2016-01-27
Definition date:	2015-11-27
Last modified:	2016-01-22
Release status:	REL
Processing site:	EBI
Derived from:	5FP4