VOQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C7	doub	1.21Å	1.18Å
C	C1	sing	1.51Å	1.47Å
C5	C2	sing	1.51Å	1.48Å
C5	N1	sing	1.47Å	1.49Å
C1	C2	sing	1.41Å	1.43Å	Aromatic
C1	N	doub	1.30Å	1.30Å	Aromatic
C2	C3	doub	1.35Å	1.33Å	Aromatic
C7	N1	sing	1.35Å	1.45Å
C7	C8	sing	1.51Å	1.57Å
N1	C6	sing	1.47Å	1.45Å
N	O	sing	1.21Å	1.31Å	Aromatic
C3	O	sing	1.34Å	1.35Å	Aromatic
C3	C4	sing	1.51Å	1.45Å
C9	C8	sing	1.53Å	1.51Å
C8	C10	sing	1.53Å	1.50Å
C8	N2	sing	1.47Å	1.52Å
N2	H1	sing	1.01Å	1.00Å
N2	H2	sing	1.01Å	1.00Å
C9	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C7	N1	125.5°	120.0°
O1	C7	C8	118.4°	120.0°
C	C1	C2	129.5°	126.8°
C	C1	N	123.4°	126.8°
C1	C	H18	109.5°	109.4°
C1	C	H19	109.5°	109.5°
C1	C	H20	109.5°	109.5°
C2	C5	N1	111.1°	109.5°
C5	C2	C1	128.2°	128.0°
C5	C2	C3	127.0°	128.0°
C2	C5	H7	109.1°	109.5°
C2	C5	H8	109.1°	109.5°
C5	N1	C7	119.4°	120.0°
C5	N1	C6	107.5°	120.0°
N1	C5	H7	109.1°	109.5°
N1	C5	H8	109.1°	109.5°
C2	C1	N	107.1°	106.4°
C1	C2	C3	104.8°	104.0°
C1	N	O	110.5°	111.6°
C2	C3	O	108.9°	106.5°
C2	C3	C4	132.0°	126.8°
N1	C7	C8	116.1°	120.0°
C7	N1	C6	110.8°	120.0°
C7	C8	C9	108.7°	109.4°
C7	C8	C10	112.7°	109.4°
C7	C8	N2	113.6°	109.4°
N1	C6	H9	109.5°	109.5°
N1	C6	H10	109.5°	109.4°
N1	C6	H11	109.5°	109.5°
N	O	C3	108.6°	111.5°
O	C3	C4	119.0°	126.8°
C3	C4	H12	109.5°	109.5°
C3	C4	H13	109.5°	109.5°
C3	C4	H14	109.5°	109.5°
C9	C8	C10	111.5°	109.5°
C9	C8	N2	107.2°	109.5°
C8	C9	H4	109.5°	109.5°
C8	C9	H5	109.5°	109.4°
C8	C9	H6	109.5°	109.4°
C10	C8	N2	102.9°	109.5°
C8	C10	H15	109.5°	109.5°
C8	C10	H16	109.4°	109.5°
C8	C10	H17	109.4°	109.5°
C8	N2	H1	109.5°	111.0°
C8	N2	H2	109.5°	111.0°
H1	N2	H2	109.5°	111.1°
H4	C9	H5	109.5°	109.5°
H4	C9	H6	109.5°	109.5°
H5	C9	H6	109.5°	109.5°
H7	C5	H8	109.4°	109.4°
H9	C6	H10	109.5°	109.5°
H9	C6	H11	109.4°	109.5°
H10	C6	H11	109.4°	109.5°
H12	C4	H13	109.5°	109.4°
H12	C4	H14	109.4°	109.5°
H13	C4	H14	109.5°	109.4°
H15	C10	H16	109.5°	109.5°
H15	C10	H17	109.5°	109.5°
H16	C10	H17	109.5°	109.5°
H18	C	H19	109.5°	109.5°
H18	C	H20	109.4°	109.5°
H19	C	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C7	N1	C5	1.5°	6.2°
O1	C7	N1	C8	179.0°	180.0°
O1	C7	N1	C6	127.2°	174.0°
O1	C7	C8	C9	67.7°	2.2°
O1	C7	C8	C10	56.4°	122.2°
O1	C7	C8	N2	173.0°	117.8°
C	C1	C2	C5	2.6°	0.2°
C	C1	C2	N	178.5°	179.7°
C	C1	C2	C3	177.1°	179.7°
C	C1	N	O	177.6°	179.7°
C1	C	H18	H19	120.0°	120.0°
C1	C	H18	H20	120.0°	120.0°
C1	C	H19	H20	120.0°	120.0°
C2	C5	N1	H7	120.3°	120.0°
C2	C5	N1	H8	120.3°	120.0°
C5	C2	C1	C3	179.7°	180.0°
C5	C2	C1	N	178.9°	180.0°
C2	C5	N1	C7	122.6°	95.9°
C2	C5	N1	C6	110.2°	84.3°
C5	C2	C3	O	179.0°	180.0°
C5	C2	C3	C4	3.6°	0.0°
C2	C5	H7	H8	119.3°	120.0°
N1	C5	C2	C1	127.7°	97.4°
N1	C5	C2	C3	51.9°	82.5°
C5	N1	C7	C6	125.6°	179.8°
C5	N1	C7	C8	177.5°	173.8°
N1	C5	H7	H8	119.2°	119.9°
C5	N1	C6	H9	180.0°	86.1°
C5	N1	C6	H10	60.0°	33.9°
C5	N1	C6	H11	60.0°	153.9°
C2	C1	N	O	1.0°	0.0°
C1	C2	C3	O	1.3°	0.0°
C1	C2	C3	C4	176.1°	180.0°
C1	C2	C5	H7	7.4°	22.6°
C1	C2	C5	H8	112.0°	142.6°
C2	C1	C	H18	178.3°	96.3°
C2	C1	C	H19	61.7°	143.7°
C2	C1	C	H20	58.3°	23.7°
N	C1	C2	C3	1.4°	0.0°
C1	N	O	C3	0.1°	0.0°
N	C1	C	H18	0.0°	84.0°
N	C1	C	H19	120.0°	35.9°
N	C1	C	H20	120.0°	156.0°
C2	C3	O	N	0.8°	0.0°
C2	C3	O	C4	177.8°	180.0°
C3	C2	C5	H7	172.2°	157.5°
C3	C2	C5	H8	68.4°	37.5°
C2	C3	C4	H12	177.2°	180.0°
C2	C3	C4	H13	57.2°	60.0°
C2	C3	C4	H14	62.8°	59.9°
N1	C7	C8	C9	111.3°	177.8°
N1	C7	C8	C10	124.5°	57.9°
N1	C7	C8	N2	7.9°	62.1°
C7	N1	C5	H7	117.2°	24.2°
C7	N1	C5	H8	2.3°	144.1°
C7	N1	C6	H9	47.9°	94.1°
C7	N1	C6	H10	167.9°	145.9°
C7	N1	C6	H11	72.1°	25.9°
C8	C7	N1	C6	51.8°	6.0°
C7	C8	C9	C10	124.9°	119.9°
C7	C8	C9	N2	123.2°	120.0°
C7	C8	C10	N2	122.8°	120.0°
C7	C8	N2	H1	180.0°	42.4°
C7	C8	N2	H2	60.0°	81.6°
C7	C8	C9	H4	180.0°	60.0°
C7	C8	C9	H5	60.0°	180.0°
C7	C8	C9	H6	60.0°	60.0°
C7	C8	C10	H15	180.0°	60.0°
C7	C8	C10	H16	60.0°	180.0°
C7	C8	C10	H17	60.0°	60.0°
C6	N1	C5	H7	10.0°	155.6°
C6	N1	C5	H8	129.5°	35.7°
N1	C6	H9	H10	120.0°	119.9°
N1	C6	H9	H11	120.0°	120.0°
N1	C6	H10	H11	120.0°	120.0°
N	O	C3	C4	177.0°	180.0°
O	C3	C4	H12	0.0°	0.0°
O	C3	C4	H13	120.0°	119.9°
O	C3	C4	H14	120.0°	120.1°
C3	C4	H12	H13	120.0°	120.0°
C3	C4	H12	H14	120.0°	120.1°
C3	C4	H13	H14	120.0°	120.0°
C9	C8	C10	N2	114.6°	120.1°
C9	C8	N2	H1	59.8°	162.4°
C9	C8	N2	H2	179.8°	38.4°
C8	C9	H4	H5	120.0°	119.9°
C8	C9	H4	H6	120.0°	120.0°
C8	C9	H5	H6	120.0°	119.9°
C9	C8	C10	H15	57.4°	180.0°
C9	C8	C10	H16	62.6°	60.0°
C9	C8	C10	H17	177.4°	59.9°
C10	C8	N2	H1	57.9°	77.5°
C10	C8	N2	H2	62.1°	158.4°
C10	C8	C9	H4	55.2°	59.9°
C10	C8	C9	H5	175.2°	60.1°
C10	C8	C9	H6	64.8°	180.0°
C8	C10	H15	H16	120.0°	120.0°
C8	C10	H15	H17	120.0°	120.0°
C8	C10	H16	H17	120.0°	120.0°
C8	N2	H1	H2	120.0°	124.0°
N2	C8	C9	H4	56.7°	180.0°
N2	C8	C9	H5	63.3°	60.0°
N2	C8	C9	H6	176.7°	59.9°
N2	C8	C10	H15	57.2°	59.9°
N2	C8	C10	H16	177.2°	60.1°
N2	C8	C10	H17	62.8°	180.0°
H4	C9	H5	H6	120.0°	120.1°
H9	C6	H10	H11	119.9°	120.1°
H12	C4	H13	H14	120.0°	120.0°
H15	C10	H16	H17	120.0°	120.0°
H18	C	H19	H20	120.0°	120.0°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5SU1