Y9E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.37Å	Aromatic
C7	C2	sing	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
O13	C10	doub	1.21Å	1.24Å
C1	C8	sing	1.53Å	1.52Å
C8	C9	sing	1.51Å	1.50Å
C10	C9	sing	1.49Å	1.34Å
C10	O12	sing	1.35Å	1.23Å
C9	O11	doub	1.21Å	1.24Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
O12	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	120.3°	120.0°
C6	C7	C2	120.8°	120.0°
C7	C6	H6	119.9°	120.0°
C6	C7	H7	119.6°	120.0°
C6	C5	C4	119.7°	120.0°
C6	C5	H5	120.1°	120.0°
C5	C6	H6	119.9°	120.0°
C7	C2	C1	120.7°	120.0°
C7	C2	C3	118.3°	120.0°
C2	C7	H7	119.6°	120.0°
C5	C4	C3	120.2°	120.0°
C5	C4	H4	119.9°	120.0°
C4	C5	H5	120.2°	120.0°
C1	C2	C3	120.8°	120.0°
C2	C1	C8	107.2°	109.5°
C2	C1	H1	110.0°	109.5°
C2	C1	H2	110.0°	109.5°
C2	C3	C4	120.6°	120.0°
C2	C3	H3	119.7°	120.0°
C4	C3	H3	119.7°	120.0°
C3	C4	H4	119.9°	120.0°
O13	C10	C9	119.3°	120.0°
O13	C10	O12	120.5°	120.1°
C1	C8	C9	116.6°	109.5°
C8	C1	H1	110.0°	109.4°
C8	C1	H2	110.1°	109.5°
C1	C8	H8	107.7°	109.4°
C1	C8	H9	107.7°	109.5°
C8	C9	C10	120.0°	120.0°
C8	C9	O11	115.9°	120.0°
C9	C8	H8	107.7°	109.5°
C9	C8	H9	107.7°	109.5°
C9	C10	O12	120.1°	119.9°
C10	C9	O11	124.1°	120.0°
C10	O12	H10	109.5°	117.0°
H1	C1	H2	109.5°	109.5°
H8	C8	H9	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	H6	180.0°	179.4°
C6	C7	C2	H7	180.0°	179.4°
C7	C6	C5	C4	1.1°	0.4°
C6	C7	C2	C1	178.7°	179.7°
C6	C7	C2	C3	2.6°	0.6°
C7	C6	C5	H5	178.9°	179.8°
C5	C6	C7	C2	2.0°	0.6°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	C3	0.9°	0.1°
C6	C5	C4	H4	179.1°	180.0°
C5	C6	C7	H7	178.0°	179.9°
C7	C2	C1	C3	176.0°	179.7°
C7	C2	C3	C4	2.4°	0.3°
C7	C2	C1	C8	87.5°	90.2°
C7	C2	C1	H1	32.1°	29.7°
C7	C2	C1	H2	152.9°	149.7°
C7	C2	C3	H3	177.6°	179.7°
C2	C7	C6	H6	178.0°	180.0°
C5	C4	C3	C2	1.6°	0.0°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	H3	178.4°	180.0°
C4	C5	C6	H6	178.9°	179.7°
C1	C2	C3	C4	178.5°	180.0°
C2	C1	C8	H1	119.6°	119.9°
C2	C1	C8	H2	119.6°	120.1°
C2	C1	C8	C9	177.2°	180.0°
C2	C1	H1	H2	121.0°	120.0°
C1	C2	C3	H3	1.5°	0.0°
C1	C2	C7	H7	1.3°	0.3°
C2	C1	C8	H8	56.2°	60.0°
C2	C1	C8	H9	61.8°	59.9°
C2	C3	C4	H3	180.0°	180.0°
C3	C2	C1	C8	88.5°	90.0°
C3	C2	C1	H1	151.9°	150.1°
C3	C2	C1	H2	31.2°	30.0°
C2	C3	C4	H4	178.4°	180.0°
C3	C2	C7	H7	177.4°	180.0°
C3	C4	C5	H5	179.1°	179.9°
O13	C10	C9	C8	6.4°	0.1°
O13	C10	C9	O12	178.6°	179.9°
O13	C10	C9	O11	175.3°	180.0°
O13	C10	O12	H10	0.0°	0.1°
C1	C8	C9	H8	121.1°	120.0°
C1	C8	C9	H9	121.0°	120.1°
C1	C8	C9	C10	130.7°	180.0°
C1	C8	C9	O11	50.9°	0.1°
C8	C1	H1	H2	121.1°	120.0°
C1	C8	H8	H9	116.8°	120.0°
C8	C9	C10	O11	178.3°	179.9°
C8	C9	C10	O12	172.3°	180.0°
C9	C8	C1	H1	63.2°	60.1°
C9	C8	C1	H2	57.6°	59.9°
C9	C8	H8	H9	116.7°	120.0°
C10	C9	C8	H8	108.3°	60.0°
C10	C9	C8	H9	9.6°	59.9°
C9	C10	O12	H10	178.6°	180.0°
O12	C10	C9	O11	6.0°	0.1°
O11	C9	C8	H8	70.2°	120.0°
O11	C9	C8	H9	171.9°	120.0°
H1	C1	C8	H8	175.8°	180.0°
H1	C1	C8	H9	57.9°	60.0°
H2	C1	C8	H8	63.5°	60.1°
H2	C1	C8	H9	178.6°	180.0°
H3	C3	C4	H4	1.6°	0.0°
H4	C4	C5	H5	0.9°	0.1°
H5	C5	C6	H6	1.1°	0.4°
H6	C6	C7	H7	2.0°	0.6°

Release date:	2023-11-01
Definition date:	2023-01-17
Last modified:	2023-10-27
Release status:	REL
Processing site:	RCSB
Derived from:	8FTV