3VO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C11	sing	1.38Å	1.38Å
C6	C5	doub	1.38Å	1.38Å	Aromatic
C6	C13	sing	1.39Å	1.42Å	Aromatic
C5	C4	sing	1.38Å	1.41Å	Aromatic
N1	C11	doub	1.28Å	1.33Å
N1	C8	sing	1.45Å	1.51Å
F2	C13	sing	1.35Å	1.32Å
C11	S1	sing	1.76Å	1.80Å
C13	C12	doub	1.38Å	1.40Å	Aromatic
C3	O1	sing	1.43Å	1.37Å
C3	C8	sing	1.53Å	1.57Å
C4	C8	sing	1.51Å	1.53Å
C4	C7	doub	1.38Å	1.46Å	Aromatic
O1	C1	sing	1.43Å	1.47Å
C8	C9	sing	1.52Å	1.59Å
C12	C7	sing	1.38Å	1.39Å	Aromatic
C7	F1	sing	1.35Å	1.33Å
S1	C10	sing	1.81Å	1.83Å
C1	C2	sing	1.53Å	1.56Å
C9	C2	sing	1.53Å	1.56Å
C9	C10	sing	1.53Å	1.55Å
N2	H1	sing	0.97Å	1.00Å
N2	H2	sing	0.97Å	1.00Å
C6	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C11	N1	119.6°	118.0°
N2	C11	S1	112.2°	118.1°
C11	N2	H1	120.0°	120.0°
C11	N2	H2	120.0°	120.0°
C5	C6	C13	118.8°	120.0°
C6	C5	C4	122.8°	120.1°
C5	C6	H3	120.6°	120.0°
C6	C5	H11	118.6°	120.0°
C6	C13	F2	118.3°	120.0°
C6	C13	C12	122.3°	120.0°
C13	C6	H3	120.6°	120.0°
C5	C4	C8	122.6°	119.9°
C5	C4	C7	116.1°	120.0°
C4	C5	H11	118.6°	120.0°
C11	N1	C8	122.0°	128.6°
N1	C11	S1	128.1°	124.0°
N1	C8	C3	106.2°	109.7°
N1	C8	C4	109.0°	108.3°
N1	C8	C9	111.4°	113.1°
F2	C13	C12	119.4°	120.0°
C11	S1	C10	102.3°	99.5°
C13	C12	C7	117.5°	120.0°
C13	C12	H14	121.2°	120.1°
O1	C3	C8	110.9°	109.2°
C3	O1	C1	115.3°	114.2°
O1	C3	H9	109.1°	109.5°
O1	C3	H10	109.1°	109.5°
C3	C8	C4	107.1°	108.1°
C3	C8	C9	110.1°	109.3°
C8	C3	H9	109.1°	109.5°
C8	C3	H10	109.1°	109.6°
C8	C4	C7	121.2°	120.0°
C4	C8	C9	112.9°	108.2°
C4	C7	C12	122.5°	120.0°
C4	C7	F1	122.8°	120.0°
O1	C1	C2	112.6°	109.4°
O1	C1	H5	108.7°	109.4°
O1	C1	H6	108.7°	109.5°
C8	C9	C2	113.5°	109.4°
C8	C9	C10	111.2°	109.5°
C8	C9	H4	104.7°	109.5°
C12	C7	F1	114.4°	120.0°
C7	C12	H14	121.3°	120.0°
S1	C10	C9	112.5°	108.1°
S1	C10	H12	108.7°	109.7°
S1	C10	H13	108.7°	109.8°
C1	C2	C9	107.7°	109.1°
C2	C1	H5	108.7°	109.5°
C2	C1	H6	108.7°	109.5°
C1	C2	H7	109.9°	109.5°
C1	C2	H8	109.9°	109.5°
C2	C9	C10	116.0°	109.4°
C2	C9	H4	105.1°	109.5°
C9	C2	H7	109.9°	109.5°
C9	C2	H8	109.9°	109.6°
C10	C9	H4	105.1°	109.5°
C9	C10	H12	108.7°	109.8°
C9	C10	H13	108.7°	109.7°
H1	N2	H2	120.0°	120.0°
H5	C1	H6	109.5°	109.5°
H7	C2	H8	109.5°	109.6°
H9	C3	H10	109.5°	109.6°
H12	C10	H13	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C11	N1	S1	178.7°	179.3°
N2	C11	N1	C8	173.3°	177.8°
N2	C11	S1	C10	178.2°	164.1°
C11	N2	H1	H2	180.0°	179.9°
C5	C6	C13	H3	180.0°	179.9°
C6	C5	C4	H11	180.0°	179.9°
C5	C6	C13	F2	179.3°	180.0°
C5	C6	C13	C12	0.1°	0.3°
C6	C5	C4	C8	178.8°	180.0°
C6	C5	C4	C7	1.8°	0.3°
C13	C6	C5	C4	0.1°	0.0°
C6	C13	F2	C12	179.3°	179.7°
C6	C13	C12	C7	2.1°	0.3°
C13	C6	C5	H11	179.9°	180.0°
C6	C13	C12	H14	177.9°	180.0°
C5	C4	C8	N1	5.3°	2.6°
C5	C4	C8	C3	119.7°	121.4°
C5	C4	C8	C7	176.8°	179.7°
C5	C4	C8	C9	119.0°	120.3°
C5	C4	C7	C12	4.1°	0.3°
C5	C4	C7	F1	177.5°	179.7°
C4	C5	C6	H3	179.9°	179.9°
C11	N1	C8	C3	156.8°	141.6°
C11	N1	C8	C4	88.2°	100.6°
C11	N1	C8	C9	37.0°	19.3°
N1	C11	S1	C10	3.0°	16.7°
N1	C11	N2	H1	0.0°	179.3°
N1	C11	N2	H2	180.0°	0.7°
C8	N1	C11	S1	8.0°	2.9°
N1	C8	C3	O1	67.9°	67.1°
N1	C8	C3	C4	116.3°	117.9°
N1	C8	C3	C9	120.6°	124.6°
N1	C8	C4	C9	124.3°	122.9°
N1	C8	C4	C7	177.9°	177.0°
N1	C8	C9	C2	68.7°	65.7°
N1	C8	C9	C10	64.3°	54.3°
N1	C8	C9	H4	177.3°	174.3°
N1	C8	C3	H9	52.3°	173.0°
N1	C8	C3	H10	171.9°	52.8°
F2	C13	C12	C7	177.2°	179.9°
F2	C13	C6	H3	0.7°	0.0°
F2	C13	C12	H14	2.8°	0.3°
C11	S1	C10	C9	28.6°	47.9°
S1	C11	N2	H1	178.9°	0.1°
S1	C11	N2	H2	1.1°	180.0°
C11	S1	C10	H12	149.0°	71.8°
C11	S1	C10	H13	91.9°	167.6°
C13	C12	C7	C4	4.2°	0.1°
C13	C12	C7	H14	180.0°	179.8°
C13	C12	C7	F1	178.1°	180.0°
C12	C13	C6	H3	180.0°	179.7°
O1	C3	C8	H9	120.2°	119.9°
O1	C3	C8	H10	120.2°	119.9°
O1	C3	C8	C4	175.8°	175.0°
O1	C3	C8	C9	52.8°	57.5°
C3	O1	C1	C2	62.0°	61.2°
C3	O1	C1	H5	58.5°	58.8°
C3	O1	C1	H6	177.6°	178.8°
O1	C3	H9	H10	119.3°	120.0°
C3	C8	C4	C9	121.3°	118.3°
C3	C8	C4	C7	63.5°	58.3°
C8	C3	O1	C1	60.6°	61.1°
C3	C8	C9	C2	48.8°	56.9°
C3	C8	C9	C10	178.3°	176.8°
C3	C8	C9	H4	65.3°	63.1°
C8	C3	H9	H10	119.4°	120.2°
C8	C4	C7	C12	178.9°	180.0°
C8	C4	C7	F1	5.5°	0.0°
C4	C8	C9	C2	168.3°	174.4°
C4	C8	C9	C10	58.7°	65.7°
C4	C8	C9	H4	54.3°	54.4°
C4	C8	C3	H9	64.0°	55.2°
C4	C8	C3	H10	55.6°	65.0°
C8	C4	C5	H11	1.1°	0.1°
C7	C4	C8	C9	57.8°	60.0°
C4	C7	C12	F1	173.9°	179.9°
C7	C4	C5	H11	178.1°	179.7°
C4	C7	C12	H14	175.8°	179.7°
O1	C1	C2	H5	120.5°	119.9°
O1	C1	C2	H6	120.4°	120.0°
O1	C1	C2	C9	52.0°	57.2°
O1	C1	H5	H6	118.6°	120.0°
O1	C1	C2	H7	171.7°	62.6°
O1	C1	C2	H8	67.7°	177.2°
C1	O1	C3	H9	179.1°	58.8°
C1	O1	C3	H10	59.6°	178.9°
C8	C9	C10	S1	59.9°	70.2°
C8	C9	C2	C1	48.0°	56.7°
C8	C9	C2	C10	130.6°	120.0°
C8	C9	C2	H4	113.9°	120.0°
C8	C9	C10	H4	112.8°	120.1°
C8	C9	C2	H7	167.7°	63.1°
C8	C9	C2	H8	71.7°	176.6°
C9	C8	C3	H9	173.0°	62.4°
C9	C8	C3	H10	67.4°	177.4°
C8	C9	C10	H12	179.7°	49.5°
C8	C9	C10	H13	60.6°	170.2°
F1	C7	C12	H14	1.9°	0.2°
S1	C10	C9	C2	71.8°	49.8°
S1	C10	C9	H12	120.5°	119.7°
S1	C10	C9	H13	120.4°	119.7°
S1	C10	C9	H4	172.7°	169.8°
S1	C10	H12	H13	118.6°	120.7°
C1	C2	C9	H7	119.7°	119.8°
C1	C2	C9	H8	119.7°	119.9°
C1	C2	C9	C10	178.6°	176.7°
C1	C2	C9	H4	65.8°	63.3°
C2	C1	H5	H6	118.6°	120.1°
C1	C2	H7	H8	120.8°	120.2°
C2	C9	C10	H4	115.6°	120.0°
C9	C2	C1	H5	68.5°	62.7°
C9	C2	C1	H6	172.4°	177.2°
C9	C2	H7	H8	120.8°	120.3°
C2	C9	C10	H12	48.7°	169.4°
C2	C9	C10	H13	167.8°	69.9°
C10	C9	C2	H7	61.7°	56.9°
C10	C9	C2	H8	58.9°	63.4°
C9	C10	H12	H13	118.6°	120.7°
H3	C6	C5	H11	0.1°	0.1°
H4	C9	C2	H7	53.9°	176.9°
H4	C9	C2	H8	174.5°	56.6°
H4	C9	C10	H12	66.9°	70.6°
H4	C9	C10	H13	52.2°	50.1°
H5	C1	C2	H7	51.2°	177.5°
H5	C1	C2	H8	171.8°	57.3°
H6	C1	C2	H7	67.9°	57.4°
H6	C1	C2	H8	52.7°	62.8°

Release date:	2015-03-04
Definition date:	2014-11-17
Last modified:	2015-02-27
Release status:	REL
Processing site:	RCSB
Derived from:	4WY1