O2D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C10	doub	1.31Å	1.30Å	Aromatic
N4	N3	sing	1.29Å	1.38Å	Aromatic
C10	N2	sing	1.36Å	1.35Å	Aromatic
N3	C9	doub	1.31Å	1.30Å	Aromatic
N2	C9	sing	1.36Å	1.35Å	Aromatic
N2	N1	sing	1.40Å	1.39Å
N1	C1	sing	1.35Å	1.31Å
C1	C2	sing	1.51Å	1.47Å
C1	O1	doub	1.21Å	1.18Å
C2	C3	sing	1.53Å	1.48Å
C3	C8	sing	1.53Å	1.49Å
C3	C4	sing	1.53Å	1.50Å
C8	C7	sing	1.53Å	1.50Å
C4	C5	sing	1.53Å	1.48Å
C7	C6	sing	1.53Å	1.47Å
C5	C6	sing	1.53Å	1.49Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	N4	N3	107.5°	109.7°
N4	C10	N2	109.2°	107.3°
N4	C10	H12	125.4°	126.3°
N4	N3	C9	107.3°	109.7°
C10	N2	C9	106.3°	106.1°
C10	N2	N1	127.1°	127.0°
N2	C10	H12	125.4°	126.4°
N3	C9	N2	109.5°	107.3°
N3	C9	H16	125.2°	126.4°
C9	N2	N1	126.5°	127.0°
N2	C9	H16	125.2°	126.3°
N2	N1	C1	129.2°	120.0°
N2	N1	H1	115.4°	120.0°
N1	C1	C2	117.3°	120.0°
N1	C1	O1	123.0°	119.9°
C1	N1	H1	115.4°	120.0°
C2	C1	O1	119.7°	120.1°
C1	C2	C3	104.3°	109.4°
C1	C2	H13	110.8°	109.5°
C1	C2	H14	110.8°	109.5°
C2	C3	C8	108.3°	109.5°
C2	C3	C4	113.5°	109.4°
C3	C2	H13	110.8°	109.5°
C3	C2	H14	110.7°	109.5°
C2	C3	H15	108.5°	109.5°
C8	C3	C4	109.6°	109.5°
C3	C8	C7	110.7°	109.5°
C3	C8	H10	109.1°	109.5°
C3	C8	H11	109.2°	109.5°
C8	C3	H15	108.4°	109.5°
C3	C4	C5	107.0°	109.5°
C3	C4	H2	110.1°	109.5°
C3	C4	H3	110.1°	109.5°
C4	C3	H15	108.3°	109.5°
C8	C7	C6	108.6°	109.5°
C8	C7	H8	109.7°	109.4°
C8	C7	H9	109.7°	109.5°
C7	C8	H10	109.2°	109.5°
C7	C8	H11	109.2°	109.4°
C4	C5	C6	111.1°	109.4°
C5	C4	H2	110.1°	109.5°
C5	C4	H3	110.1°	109.5°
C4	C5	H4	109.0°	109.5°
C4	C5	H5	109.1°	109.5°
C7	C6	C5	110.8°	109.5°
C7	C6	H6	109.1°	109.5°
C7	C6	H7	109.1°	109.5°
C6	C7	H8	109.7°	109.5°
C6	C7	H9	109.7°	109.5°
C6	C5	H4	109.1°	109.5°
C6	C5	H5	109.1°	109.5°
C5	C6	H6	109.2°	109.4°
C5	C6	H7	109.1°	109.4°
H2	C4	H3	109.5°	109.5°
H4	C5	H5	109.5°	109.5°
H6	C6	H7	109.5°	109.5°
H8	C7	H9	109.4°	109.5°
H10	C8	H11	109.5°	109.4°
H13	C2	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C10	N2	H12	180.0°	179.9°
C10	N4	N3	C9	1.5°	0.0°
N4	C10	N2	C9	1.7°	0.0°
N4	C10	N2	N1	179.9°	180.0°
N3	N4	C10	N2	0.1°	0.0°
N4	N3	C9	N2	2.6°	0.0°
N3	N4	C10	H12	179.9°	179.9°
N4	N3	C9	H16	177.4°	180.0°
C10	N2	C9	N3	2.7°	0.0°
C10	N2	C9	N1	178.4°	180.0°
C10	N2	N1	C1	95.6°	180.0°
C10	N2	N1	H1	84.4°	0.3°
C10	N2	C9	H16	177.3°	180.0°
N3	C9	N2	H16	180.0°	179.9°
N3	C9	N2	N1	178.9°	180.0°
C9	N2	N1	C1	86.3°	0.0°
C9	N2	N1	H1	93.7°	179.7°
C9	N2	C10	H12	178.3°	179.9°
N2	N1	C1	H1	180.0°	179.7°
N2	N1	C1	C2	168.0°	179.7°
N2	N1	C1	O1	10.6°	0.3°
N1	N2	C10	H12	0.1°	0.1°
N1	N2	C9	H16	1.2°	0.0°
N1	C1	C2	O1	178.6°	180.0°
N1	C1	C2	C3	140.0°	180.0°
N1	C1	C2	H13	100.8°	60.0°
N1	C1	C2	H14	20.9°	60.0°
C1	C2	C3	H13	119.2°	120.0°
C1	C2	C3	H14	119.2°	120.0°
C1	C2	C3	C8	49.4°	175.0°
C1	C2	C3	C4	171.4°	65.0°
C2	C1	N1	H1	12.0°	0.0°
C1	C2	H13	H14	122.4°	120.0°
C1	C2	C3	H15	68.1°	55.0°
O1	C1	C2	C3	38.6°	0.0°
O1	C1	N1	H1	169.4°	180.0°
O1	C1	C2	H13	80.6°	120.0°
O1	C1	C2	H14	157.8°	120.0°
C2	C3	C8	C4	124.3°	120.0°
C2	C3	C8	H15	117.6°	120.0°
C2	C3	C4	H15	120.7°	120.0°
C2	C3	C8	C7	145.5°	180.0°
C2	C3	C4	C5	169.7°	180.0°
C2	C3	C4	H2	50.1°	60.0°
C2	C3	C4	H3	70.6°	60.0°
C2	C3	C8	H10	25.3°	60.0°
C2	C3	C8	H11	94.4°	60.0°
C3	C2	H13	H14	122.4°	120.0°
C8	C3	C4	H15	118.1°	120.0°
C3	C8	C7	H10	120.2°	120.1°
C3	C8	C7	H11	120.2°	120.0°
C8	C3	C4	C5	69.0°	60.0°
C3	C8	C7	C6	43.7°	60.0°
C8	C3	C4	H2	171.4°	60.0°
C8	C3	C4	H3	50.6°	180.0°
C3	C8	C7	H8	76.2°	60.0°
C3	C8	C7	H9	163.5°	180.0°
C3	C8	H10	H11	119.4°	120.0°
C8	C3	C2	H13	168.6°	65.0°
C8	C3	C2	H14	69.8°	55.0°
C4	C3	C8	C7	21.1°	60.0°
C3	C4	C5	H2	119.6°	120.0°
C3	C4	C5	H3	119.6°	120.0°
C3	C4	C5	C6	47.4°	60.0°
C3	C4	H2	H3	121.1°	120.0°
C3	C4	C5	H4	72.8°	60.0°
C3	C4	C5	H5	167.6°	180.0°
C4	C3	C8	H10	99.1°	179.9°
C4	C3	C8	H11	141.3°	60.0°
C4	C3	C2	H13	69.4°	55.0°
C4	C3	C2	H14	52.2°	175.0°
C8	C7	C6	H8	119.9°	120.0°
C8	C7	C6	H9	119.9°	120.0°
C8	C7	C6	C5	65.7°	60.0°
C8	C7	C6	H6	174.1°	179.9°
C8	C7	C6	H7	54.5°	60.0°
C8	C7	H8	H9	120.4°	120.0°
C7	C8	H10	H11	119.4°	119.9°
C7	C8	C3	H15	97.0°	60.0°
C4	C5	C6	C7	17.5°	60.0°
C4	C5	C6	H4	120.2°	120.0°
C4	C5	C6	H5	120.3°	120.0°
C5	C4	H2	H3	121.2°	120.0°
C4	C5	H4	H5	119.3°	120.1°
C4	C5	C6	H6	137.7°	180.0°
C4	C5	C6	H7	102.7°	60.0°
C5	C4	C3	H15	49.1°	60.0°
C7	C6	C5	H6	120.2°	120.0°
C7	C6	C5	H7	120.2°	120.0°
C7	C6	C5	H4	137.7°	60.0°
C7	C6	C5	H5	102.8°	180.0°
C7	C6	H6	H7	119.4°	120.0°
C6	C7	H8	H9	120.4°	120.0°
C6	C7	C8	H10	163.8°	179.9°
C6	C7	C8	H11	76.5°	60.0°
C6	C5	C4	H2	167.0°	60.0°
C6	C5	C4	H3	72.2°	180.0°
C6	C5	H4	H5	119.3°	120.0°
C5	C6	H6	H7	119.4°	120.0°
C5	C6	C7	H8	54.2°	60.0°
C5	C6	C7	H9	174.5°	180.0°
H2	C4	C5	H4	46.8°	180.0°
H2	C4	C5	H5	72.7°	60.0°
H2	C4	C3	H15	70.5°	180.0°
H3	C4	C5	H4	167.5°	60.0°
H3	C4	C5	H5	48.0°	60.0°
H3	C4	C3	H15	168.7°	60.0°
H4	C5	C6	H6	102.1°	60.0°
H4	C5	C6	H7	17.5°	180.0°
H5	C5	C6	H6	17.4°	60.0°
H5	C5	C6	H7	137.0°	60.1°
H6	C6	C7	H8	66.0°	60.0°
H6	C6	C7	H9	54.3°	60.0°
H7	C6	C7	H8	174.4°	180.0°
H7	C6	C7	H9	65.4°	60.0°
H8	C7	C8	H10	44.0°	60.1°
H8	C7	C8	H11	163.6°	180.0°
H9	C7	C8	H10	76.3°	59.9°
H9	C7	C8	H11	43.3°	60.0°
H10	C8	C3	H15	142.8°	60.0°
H11	C8	C3	H15	23.2°	180.0°
H13	C2	C3	H15	51.1°	175.0°
H14	C2	C3	H15	172.7°	65.0°

Release date:	2019-08-21
Definition date:	2019-06-05
Last modified:	2019-08-16
Release status:	REL
Processing site:	RCSB
Derived from:	5QSM