VEX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	O3	sing	1.43Å	1.32Å
C9	C4	sing	1.51Å	1.46Å
O2	C5	sing	1.36Å	1.34Å
O2	C8	sing	1.43Å	1.35Å
C4	C5	doub	1.39Å	1.37Å	Aromatic
C4	C3	sing	1.38Å	1.37Å	Aromatic
C5	C6	sing	1.39Å	1.35Å	Aromatic
C3	C2	doub	1.38Å	1.34Å	Aromatic
C6	O1	sing	1.36Å	1.33Å
C6	C1	doub	1.39Å	1.32Å	Aromatic
C2	C1	sing	1.39Å	1.38Å	Aromatic
O1	C7	sing	1.43Å	1.32Å
C1	O	sing	1.36Å	1.33Å
O	C	sing	1.43Å	1.36Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.08Å	1.08Å
O3	H10	sing	0.97Å	0.95Å
C2	H11	sing	1.08Å	1.08Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C9	C4	112.0°	109.5°
O3	C9	H7	108.8°	109.5°
O3	C9	H8	108.8°	109.5°
C9	O3	H10	109.5°	114.0°
C9	C4	C5	123.1°	120.0°
C9	C4	C3	116.8°	119.9°
C4	C9	H7	108.8°	109.5°
C4	C9	H8	108.8°	109.4°
C5	O2	C8	113.8°	117.0°
O2	C5	C4	119.6°	120.1°
O2	C5	C6	119.8°	120.0°
O2	C8	H4	109.5°	109.4°
O2	C8	H5	109.5°	109.5°
O2	C8	H6	109.5°	109.5°
C5	C4	C3	120.0°	120.1°
C4	C5	C6	120.6°	119.9°
C4	C3	C2	119.0°	120.1°
C4	C3	H9	120.5°	119.9°
C5	C6	O1	122.2°	120.1°
C5	C6	C1	118.6°	119.8°
C3	C2	C1	119.7°	120.2°
C2	C3	H9	120.5°	120.0°
C3	C2	H11	120.2°	119.9°
O1	C6	C1	119.1°	120.1°
C6	O1	C7	108.8°	117.0°
C6	C1	C2	122.2°	119.9°
C6	C1	O	119.3°	120.0°
C2	C1	O	118.6°	120.1°
C1	C2	H11	120.2°	119.9°
O1	C7	H1	109.5°	109.5°
O1	C7	H2	109.5°	109.5°
O1	C7	H3	109.5°	109.4°
C1	O	C	108.8°	117.0°
O	C	H12	109.5°	109.5°
O	C	H13	109.5°	109.5°
O	C	H14	109.5°	109.5°
H1	C7	H2	109.5°	109.5°
H1	C7	H3	109.5°	109.5°
H2	C7	H3	109.5°	109.5°
H4	C8	H5	109.5°	109.5°
H4	C8	H6	109.5°	109.4°
H5	C8	H6	109.5°	109.5°
H7	C9	H8	109.5°	109.5°
H12	C	H13	109.4°	109.5°
H12	C	H14	109.5°	109.5°
H13	C	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C9	C4	H7	120.4°	120.0°
O3	C9	C4	H8	120.4°	120.0°
O3	C9	C4	C5	140.4°	180.0°
O3	C9	C4	C3	36.7°	0.3°
O3	C9	H7	H8	118.8°	120.0°
C9	C4	C5	O2	3.5°	0.0°
C9	C4	C5	C3	177.0°	179.7°
C9	C4	C5	C6	176.8°	180.0°
C9	C4	C3	C2	176.6°	180.0°
C4	C9	H7	H8	118.8°	120.0°
C9	C4	C3	H9	3.5°	0.1°
C4	C9	O3	H10	180.0°	180.0°
O2	C5	C4	C6	179.7°	180.0°
O2	C5	C4	C3	179.5°	179.7°
O2	C5	C6	O1	3.7°	0.0°
O2	C5	C6	C1	179.6°	180.0°
C5	O2	C8	H4	180.0°	60.1°
C5	O2	C8	H5	60.0°	60.0°
C5	O2	C8	H6	60.0°	180.0°
C8	O2	C5	C4	115.5°	90.0°
C8	O2	C5	C6	64.8°	90.1°
O2	C8	H4	H5	120.0°	120.0°
O2	C8	H4	H6	120.0°	120.0°
O2	C8	H5	H6	120.0°	120.0°
C5	C4	C3	C2	0.6°	0.3°
C4	C5	C6	O1	176.0°	179.9°
C4	C5	C6	C1	0.7°	0.0°
C5	C4	C9	H7	20.0°	60.0°
C5	C4	C9	H8	99.2°	60.0°
C5	C4	C3	H9	179.4°	179.7°
C3	C4	C5	C6	0.2°	0.3°
C4	C3	C2	H9	180.0°	179.9°
C4	C3	C2	C1	0.1°	0.0°
C3	C4	C9	H7	157.1°	120.3°
C3	C4	C9	H8	83.7°	119.7°
C4	C3	C2	H11	179.9°	179.9°
C5	C6	O1	C1	176.7°	179.9°
C5	C6	C1	C2	1.3°	0.3°
C5	C6	O1	C7	100.0°	90.0°
C5	C6	C1	O	178.6°	180.0°
C3	C2	C1	C6	0.9°	0.3°
C3	C2	C1	H11	180.0°	179.9°
C3	C2	C1	O	179.0°	180.0°
O1	C6	C1	C2	175.5°	179.7°
O1	C6	C1	O	4.6°	0.1°
C6	O1	C7	H1	180.0°	180.0°
C6	O1	C7	H2	60.0°	60.0°
C6	O1	C7	H3	60.0°	60.0°
C6	C1	C2	O	179.9°	179.6°
C1	C6	O1	C7	83.3°	90.0°
C6	C1	O	C	85.8°	180.0°
C6	C1	C2	H11	179.1°	179.7°
C2	C1	O	C	94.0°	0.4°
C1	C2	C3	H9	179.9°	179.9°
O1	C7	H1	H2	120.0°	120.0°
O1	C7	H1	H3	120.0°	120.0°
O1	C7	H2	H3	120.0°	120.0°
O	C1	C2	H11	1.0°	0.1°
C1	O	C	H12	180.0°	180.0°
C1	O	C	H13	60.0°	59.9°
C1	O	C	H14	60.0°	60.1°
O	C	H12	H13	120.0°	120.1°
O	C	H12	H14	120.0°	120.0°
O	C	H13	H14	120.0°	120.0°
H1	C7	H2	H3	120.0°	120.0°
H4	C8	H5	H6	120.0°	120.0°
H7	C9	O3	H10	59.6°	60.0°
H8	C9	O3	H10	59.7°	60.0°
H9	C3	C2	H11	0.1°	0.0°
H12	C	H13	H14	120.0°	120.0°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FPH