VX4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.51Å	1.52Å
C4	C5	sing	1.54Å	1.52Å
C1	C2	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.55Å
C5	N1	sing	1.48Å	1.47Å
C2	C7	sing	1.47Å	1.54Å
O1	C8	doub	1.22Å	1.23Å
N1	C8	sing	1.35Å	1.35Å
N1	C6	sing	1.45Å	1.48Å
C7	C6	sing	1.55Å	1.53Å
C8	C9	sing	1.47Å	1.49Å
C9	N2	sing	1.34Å	1.39Å	Aromatic
C9	C10	doub	1.35Å	1.36Å	Aromatic
N2	C11	doub	1.29Å	1.30Å	Aromatic
C10	S1	sing	1.71Å	1.71Å	Aromatic
C11	S1	sing	1.71Å	1.71Å	Aromatic
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C11	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	113.7°	110.1°
C4	C3	C2	116.9°	109.5°
C3	C4	H7	108.4°	109.4°
C3	C4	H8	108.4°	109.3°
C4	C3	H5	107.6°	109.5°
C4	C3	H6	107.6°	109.5°
C4	C5	N1	113.7°	112.1°
C5	C4	H7	108.4°	109.5°
C5	C4	H8	108.4°	109.2°
C4	C5	H9	108.4°	108.9°
C4	C5	H10	108.4°	109.0°
C1	C2	C3	111.8°	108.6°
C1	C2	C7	109.8°	108.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C1	H1	109.5°	109.5°
C1	C2	H4	107.2°	108.5°
C3	C2	C7	113.6°	114.3°
C3	C2	H4	107.0°	108.4°
C2	C3	H5	107.6°	109.3°
C2	C3	H6	107.6°	109.6°
C5	N1	C8	121.0°	118.6°
C5	N1	C6	118.7°	122.7°
N1	C5	H9	108.4°	108.9°
N1	C5	H10	108.4°	109.0°
C2	C7	C6	117.2°	110.4°
C2	C7	H13	107.5°	109.4°
C2	C7	H14	107.5°	109.2°
C7	C2	H4	107.1°	108.4°
O1	C8	N1	118.6°	120.0°
O1	C8	C9	117.3°	120.0°
C8	N1	C6	120.1°	118.6°
N1	C8	C9	124.0°	120.0°
N1	C6	C7	115.8°	109.6°
N1	C6	H12	107.9°	109.5°
N1	C6	H11	107.9°	109.5°
C7	C6	H12	107.8°	109.4°
C7	C6	H11	107.8°	109.4°
C6	C7	H13	107.5°	109.4°
C6	C7	H14	107.5°	109.3°
C8	C9	N2	120.1°	123.1°
C8	C9	C10	124.9°	123.1°
N2	C9	C10	114.8°	113.7°
C9	N2	C11	110.0°	115.8°
C9	C10	S1	109.7°	108.8°
C9	C10	H15	125.2°	125.6°
N2	C11	S1	115.4°	110.5°
N2	C11	H16	122.3°	124.8°
C10	S1	C11	89.7°	91.1°
S1	C10	H15	125.1°	125.6°
S1	C11	H16	122.3°	124.7°
H7	C4	H8	109.5°	109.2°
H9	C5	H10	109.5°	108.9°
H12	C6	H11	109.5°	109.4°
H13	C7	H14	109.5°	109.3°
H2	C1	H3	109.4°	109.5°
H2	C1	H1	109.5°	109.5°
H3	C1	H1	109.5°	109.5°
H5	C3	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H7	120.6°	120.3°
C3	C4	C5	H8	120.7°	120.1°
C4	C3	C2	C1	58.9°	153.8°
C4	C3	C2	H5	121.1°	119.9°
C4	C3	C2	H6	121.0°	120.1°
C3	C4	C5	N1	48.1°	40.2°
C4	C3	C2	C7	66.0°	84.9°
C3	C4	H7	H8	118.1°	119.6°
C3	C4	C5	H9	168.8°	80.4°
C3	C4	C5	H10	72.5°	161.0°
C4	C3	C2	H4	176.1°	36.2°
C4	C3	H5	H6	116.6°	120.0°
C5	C4	C3	C2	42.8°	91.7°
C4	C5	N1	H9	120.6°	120.6°
C4	C5	N1	H10	120.6°	120.7°
C4	C5	N1	C8	107.3°	137.8°
C4	C5	N1	C6	68.2°	42.4°
C5	C4	H7	H8	118.1°	119.6°
C4	C5	H9	H10	118.1°	118.7°
C5	C4	C3	H5	163.8°	28.1°
C5	C4	C3	H6	78.3°	148.1°
C1	C2	C3	C7	124.9°	121.3°
C1	C2	C3	H4	117.1°	117.6°
C1	C2	C7	H4	116.1°	117.6°
C1	C2	C7	C6	138.1°	176.0°
C1	C2	C7	H13	17.0°	55.6°
C1	C2	C7	H14	100.8°	63.9°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C2	C1	H3	H1	120.0°	120.0°
C1	C2	C3	H5	62.1°	86.3°
C1	C2	C3	H6	180.0°	33.7°
C3	C2	C7	H4	117.9°	121.0°
C3	C2	C7	C6	12.1°	62.7°
C2	C3	C4	H7	163.4°	147.9°
C2	C3	C4	H8	77.9°	28.4°
C3	C2	C7	H13	109.0°	176.9°
C3	C2	C7	H14	133.2°	57.4°
C3	C2	C1	H2	180.0°	64.8°
C3	C2	C1	H3	60.0°	55.2°
C3	C2	C1	H1	60.0°	175.2°
C2	C3	H5	H6	116.7°	120.1°
C5	N1	C8	O1	22.0°	5.6°
C5	N1	C8	C6	175.5°	179.7°
C5	N1	C6	C7	13.4°	91.0°
C5	N1	C8	C9	156.2°	174.4°
N1	C5	C4	H7	72.5°	160.6°
N1	C5	C4	H8	168.8°	79.9°
N1	C5	H9	H10	118.1°	118.7°
C5	N1	C6	H12	107.5°	29.0°
C5	N1	C6	H11	134.4°	149.0°
C2	C7	C6	N1	67.1°	71.2°
C2	C7	C6	H13	121.1°	120.4°
C2	C7	C6	H14	121.1°	120.0°
C2	C7	C6	H12	53.9°	48.8°
C2	C7	C6	H11	172.0°	168.7°
C2	C7	H13	H14	116.5°	119.5°
C7	C2	C1	H2	53.0°	60.1°
C7	C2	C1	H3	67.0°	180.0°
C7	C2	C1	H1	173.0°	60.0°
C7	C2	C3	H5	173.0°	35.0°
C7	C2	C3	H6	55.1°	155.0°
O1	C8	N1	C9	178.1°	180.0°
O1	C8	N1	C6	153.5°	174.1°
O1	C8	C9	N2	57.2°	173.6°
O1	C8	C9	C10	126.1°	6.5°
C8	N1	C6	C7	171.0°	89.3°
N1	C8	C9	N2	124.6°	6.5°
N1	C8	C9	C10	52.0°	173.5°
C8	N1	C5	H9	13.3°	17.2°
C8	N1	C5	H10	132.1°	101.4°
C8	N1	C6	H12	68.1°	150.7°
C8	N1	C6	H11	50.1°	30.7°
N1	C6	C7	H12	121.0°	120.0°
N1	C6	C7	H11	120.9°	120.1°
C6	N1	C8	C9	28.4°	5.8°
C6	N1	C5	H9	171.2°	163.0°
C6	N1	C5	H10	52.4°	78.3°
N1	C6	H12	H11	117.1°	120.0°
N1	C6	C7	H13	54.0°	168.4°
N1	C6	C7	H14	171.8°	48.8°
C7	C6	H12	H11	117.1°	119.8°
C6	C7	H13	H14	116.5°	119.6°
C6	C7	C2	H4	105.8°	58.3°
C8	C9	N2	C10	177.0°	180.0°
C8	C9	N2	C11	175.4°	179.6°
C8	C9	C10	S1	175.9°	180.0°
C8	C9	C10	H15	4.1°	0.3°
N2	C9	C10	S1	7.2°	0.0°
C9	N2	C11	S1	4.5°	0.6°
N2	C9	C10	H15	172.8°	179.7°
C9	N2	C11	H16	175.6°	179.9°
C10	C9	N2	C11	7.6°	0.4°
C9	C10	S1	H15	180.0°	179.7°
C9	C10	S1	C11	3.8°	0.3°
N2	C11	S1	C10	0.4°	0.5°
N2	C11	S1	H16	180.0°	179.4°
C10	S1	C11	H16	179.6°	179.9°
C11	S1	C10	H15	176.2°	179.9°
H7	C4	C5	H9	48.2°	39.9°
H7	C4	C5	H10	166.9°	78.7°
H7	C4	C3	H5	75.5°	92.3°
H7	C4	C3	H6	42.3°	27.7°
H8	C4	C5	H9	70.6°	159.5°
H8	C4	C5	H10	48.2°	40.9°
H8	C4	C3	H5	43.2°	148.2°
H8	C4	C3	H6	161.1°	91.8°
H12	C6	C7	H13	175.0°	71.5°
H12	C6	C7	H14	67.3°	168.9°
H11	C6	C7	H13	66.9°	48.3°
H11	C6	C7	H14	50.9°	71.2°
H13	C7	C2	H4	133.1°	62.0°
H14	C7	C2	H4	15.3°	178.4°
H2	C1	H3	H1	120.0°	120.0°
H2	C1	C2	H4	63.1°	177.7°
H3	C1	C2	H4	177.0°	62.3°
H1	C1	C2	H4	57.0°	57.7°
H4	C2	C3	H5	55.0°	156.1°
H4	C2	C3	H6	62.9°	83.9°

Release date:	2020-09-30
Definition date:	2020-09-17
Last modified:	2020-09-25
Release status:	REL
Processing site:	RCSB
Derived from:	5RMH