4VU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C12	sing	1.53Å	1.50Å
C14	C13	sing	1.53Å	1.51Å
C11	C12	sing	1.53Å	1.51Å
C11	C9	sing	1.53Å	1.51Å
C12	C10	sing	1.53Å	1.51Å
C9	N1	sing	1.47Å	1.48Å
C13	N1	sing	1.47Å	1.48Å
N1	C7	sing	1.47Å	1.49Å
C10	C7	sing	1.53Å	1.51Å
C7	C5	sing	1.51Å	1.50Å
C5	C6	doub	1.39Å	1.37Å	Aromatic
C5	C4	sing	1.38Å	1.37Å	Aromatic
C6	C1	sing	1.39Å	1.37Å	Aromatic
C4	N2	doub	1.32Å	1.33Å	Aromatic
C1	C2	doub	1.38Å	1.37Å	Aromatic
N2	C2	sing	1.32Å	1.33Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C14	C13	108.9°	108.9°
C14	C12	C11	106.4°	108.6°
C14	C12	C10	109.1°	108.6°
C14	C12	H9	110.7°	110.8°
C12	C14	H15	109.6°	109.6°
C12	C14	H14	109.6°	109.6°
C14	C13	N1	108.0°	109.3°
C14	C13	H12	109.8°	109.5°
C14	C13	H13	109.8°	109.5°
C13	C14	H15	109.6°	109.6°
C13	C14	H14	109.6°	109.6°
C12	C11	C9	108.3°	108.9°
C11	C12	C10	109.4°	108.6°
C12	C11	H10	109.8°	109.6°
C12	C11	H11	109.7°	109.6°
C11	C12	H9	110.6°	110.1°
C11	C9	N1	107.9°	109.3°
C11	C9	H17	109.8°	109.5°
C11	C9	H16	109.9°	109.6°
C9	C11	H10	109.8°	109.5°
C9	C11	H11	109.8°	109.6°
C12	C10	C7	107.8°	108.8°
C12	C10	H8	109.9°	109.6°
C12	C10	H7	109.9°	109.7°
C10	C12	H9	110.6°	110.1°
C9	N1	C13	106.6°	111.0°
C9	N1	C7	107.6°	111.0°
N1	C9	H17	109.9°	109.5°
N1	C9	H16	109.9°	109.5°
C13	N1	C7	114.8°	111.1°
N1	C13	H12	109.8°	109.5°
N1	C13	H13	109.8°	109.5°
N1	C7	C10	106.8°	109.3°
N1	C7	C5	115.9°	109.5°
N1	C7	H6	107.8°	109.5°
C10	C7	C5	110.7°	109.5°
C10	C7	H6	107.6°	109.5°
C7	C10	H8	109.9°	109.5°
C7	C10	H7	109.9°	109.5°
C7	C5	C6	123.5°	120.5°
C7	C5	C4	118.8°	120.4°
C5	C7	H6	107.7°	109.5°
C6	C5	C4	117.6°	119.1°
C5	C6	C1	118.7°	118.5°
C5	C6	H5	120.6°	120.7°
C5	C4	N2	125.5°	120.8°
C5	C4	H4	117.2°	119.6°
C6	C1	C2	118.8°	119.2°
C6	C1	H1	120.6°	120.4°
C1	C6	H5	120.6°	120.8°
C4	N2	C2	114.9°	121.7°
N2	C4	H4	117.2°	119.6°
C1	C2	N2	124.4°	120.7°
C2	C1	H1	120.6°	120.4°
C1	C2	H3	117.8°	119.7°
N2	C2	H3	117.8°	119.6°
H17	C9	H16	109.4°	109.5°
H8	C10	H7	109.5°	109.6°
H10	C11	H11	109.5°	109.6°
H12	C13	H13	109.5°	109.5°
H15	C14	H14	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C14	C13	H15	119.9°	119.8°
C12	C14	C13	H14	119.9°	119.8°
C14	C12	C11	C10	117.7°	117.9°
C14	C12	C11	H9	120.3°	121.5°
C14	C12	C11	C9	48.0°	58.9°
C14	C12	C10	H9	121.9°	121.5°
C12	C14	C13	N1	18.1°	0.1°
C14	C12	C10	C7	74.1°	59.0°
C14	C12	C10	H8	45.6°	178.7°
C14	C12	C10	H7	166.1°	60.9°
C14	C12	C11	H10	167.9°	60.9°
C14	C12	C11	H11	71.8°	178.8°
C12	C14	C13	H12	137.8°	120.1°
C12	C14	C13	H13	101.7°	119.9°
C12	C14	H15	H14	120.3°	120.3°
C13	C14	C12	C11	70.8°	58.9°
C13	C14	C12	C10	47.1°	59.0°
C14	C13	N1	C9	51.6°	62.1°
C14	C13	N1	H12	119.8°	120.0°
C14	C13	N1	H13	119.8°	119.9°
C14	C13	N1	C7	67.5°	62.0°
C13	C14	C12	H9	169.0°	180.0°
C14	C13	H12	H13	120.7°	120.0°
C13	C14	H15	H14	120.3°	120.3°
C12	C11	C9	H10	119.8°	119.8°
C12	C11	C9	H11	119.8°	119.9°
C11	C12	C10	H9	122.0°	120.6°
C12	C11	C9	N1	20.3°	0.1°
C11	C12	C10	C7	41.9°	59.0°
C12	C11	C9	H17	140.1°	119.9°
C12	C11	C9	H16	99.5°	120.0°
C11	C12	C10	H8	161.6°	60.8°
C11	C12	C10	H7	77.9°	178.8°
C12	C11	H10	H11	120.5°	120.3°
C11	C12	C14	H15	49.1°	60.9°
C11	C12	C14	H14	169.3°	178.7°
C9	C11	C12	C10	69.7°	59.0°
C11	C9	N1	H17	119.8°	120.0°
C11	C9	N1	H16	119.8°	120.0°
C11	C9	N1	C13	74.5°	62.1°
C11	C9	N1	C7	49.1°	62.0°
C11	C9	H17	H16	120.7°	120.1°
C9	C11	H10	H11	120.5°	120.3°
C9	C11	C12	H9	168.3°	179.6°
C12	C10	C7	N1	26.7°	0.0°
C12	C10	C7	H8	119.7°	119.8°
C12	C10	C7	H7	119.7°	120.0°
C12	C10	C7	C5	153.7°	120.0°
C12	C10	C7	H6	88.8°	120.0°
C12	C10	H8	H7	120.8°	120.5°
C10	C12	C11	H10	50.2°	178.8°
C10	C12	C11	H11	170.5°	60.8°
C10	C12	C14	H15	167.0°	178.8°
C10	C12	C14	H14	72.8°	60.8°
C9	N1	C13	C7	119.1°	124.0°
C9	N1	C7	C10	77.5°	62.0°
C9	N1	C7	C5	158.6°	178.0°
C9	N1	C7	H6	37.9°	58.0°
N1	C9	H17	H16	120.7°	120.0°
N1	C9	C11	H10	99.6°	119.9°
N1	C9	C11	H11	140.1°	119.8°
C9	N1	C13	H12	68.2°	178.0°
C9	N1	C13	H13	171.4°	57.9°
C13	N1	C7	C10	41.0°	62.0°
C13	N1	C7	C5	82.9°	58.0°
C13	N1	C7	H6	156.4°	178.0°
C13	N1	C9	H17	165.7°	57.9°
C13	N1	C9	H16	45.3°	177.9°
N1	C13	H12	H13	120.7°	120.1°
N1	C13	C14	H15	101.8°	119.9°
N1	C13	C14	H14	138.0°	119.8°
N1	C7	C10	C5	127.1°	119.9°
N1	C7	C10	H6	115.5°	120.0°
N1	C7	C5	H6	120.8°	120.1°
N1	C7	C5	C6	60.6°	150.7°
N1	C7	C5	C4	119.9°	29.8°
C7	N1	C9	H17	70.6°	178.1°
C7	N1	C9	H16	168.9°	58.0°
N1	C7	C10	H8	93.1°	119.8°
N1	C7	C10	H7	146.4°	119.9°
C7	N1	C13	H12	172.8°	58.0°
C7	N1	C13	H13	52.3°	178.1°
C10	C7	C5	H6	117.4°	120.1°
C10	C7	C5	C6	61.2°	30.9°
C10	C7	C5	C4	118.3°	149.6°
C7	C10	H8	H7	120.7°	120.2°
C7	C10	C12	H9	163.9°	179.6°
C7	C5	C6	C4	179.6°	179.5°
C7	C5	C6	C1	179.8°	180.0°
C7	C5	C4	N2	179.7°	179.8°
C7	C5	C4	H4	0.3°	0.3°
C7	C5	C6	H5	0.2°	0.5°
C5	C7	C10	H8	34.0°	120.2°
C5	C7	C10	H7	86.5°	0.0°
C5	C6	C1	H5	180.0°	179.5°
C6	C5	C4	N2	0.2°	0.3°
C5	C6	C1	C2	0.1°	0.6°
C5	C6	C1	H1	179.9°	179.8°
C6	C5	C4	H4	179.9°	179.8°
C6	C5	C7	H6	178.6°	89.2°
C4	C5	C6	C1	0.2°	0.5°
C5	C4	N2	H4	180.0°	179.9°
C5	C4	N2	C2	0.0°	0.1°
C4	C5	C6	H5	179.8°	180.0°
C4	C5	C7	H6	1.0°	90.3°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	N2	0.1°	0.4°
C6	C1	C2	H3	179.9°	179.8°
C4	N2	C2	C1	0.1°	0.1°
C4	N2	C2	H3	179.9°	180.0°
C1	C2	N2	H3	180.0°	179.8°
C2	C1	C6	H5	179.9°	180.0°
N2	C2	C1	H1	179.9°	180.0°
C2	N2	C4	H4	180.0°	180.0°
H1	C1	C2	H3	0.1°	0.1°
H1	C1	C6	H5	0.1°	0.3°
H6	C7	C10	H8	151.4°	0.2°
H6	C7	C10	H7	30.9°	120.1°
H17	C9	C11	H10	20.2°	0.1°
H17	C9	C11	H11	100.1°	120.3°
H16	C9	C11	H10	140.7°	120.1°
H16	C9	C11	H11	20.3°	0.2°
H8	C10	C12	H9	76.4°	59.8°
H7	C10	C12	H9	44.2°	60.6°
H10	C11	C12	H9	71.8°	60.6°
H11	C11	C12	H9	48.5°	59.7°
H9	C12	C14	H15	71.1°	60.2°
H9	C12	C14	H14	49.1°	60.2°
H12	C13	C14	H15	18.0°	120.1°
H12	C13	C14	H14	102.3°	0.2°
H13	C13	C14	H15	138.4°	0.1°
H13	C13	C14	H14	18.2°	120.3°

Release date:	2015-06-24
Definition date:	2015-06-08
Last modified:	2015-06-19
Release status:	REL
Processing site:	RCSB
Derived from:	5BW2