X0G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.43Å	1.43Å
O1	C3	sing	1.43Å	1.43Å
C2	C1	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.54Å
C1	N1	sing	1.47Å	1.48Å
C4	N1	sing	1.47Å	1.49Å
N1	C5	sing	1.47Å	1.48Å
C5	C6	sing	1.51Å	1.51Å
C6	N3	doub	1.31Å	1.38Å	Aromatic
C6	O2	sing	1.34Å	1.33Å	Aromatic
N3	C7	sing	1.34Å	1.39Å	Aromatic
O2	N2	sing	1.21Å	1.39Å	Aromatic
C10	C8	sing	1.53Å	1.50Å
C10	C9	sing	1.53Å	1.50Å
C7	N2	doub	1.30Å	1.36Å	Aromatic
C7	C8	sing	1.51Å	1.50Å
C8	C9	sing	1.53Å	1.50Å
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
C8	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O1	C3	111.4°	113.8°
O1	C2	C1	109.0°	109.2°
O1	C2	H4	109.6°	109.5°
O1	C2	H3	109.6°	109.5°
O1	C3	C4	108.9°	109.3°
O1	C3	H5	109.6°	109.6°
O1	C3	H6	109.6°	109.5°
C2	C1	N1	109.0°	109.3°
C2	C1	H2	109.6°	109.5°
C2	C1	H1	109.6°	109.6°
C1	C2	H4	109.6°	109.5°
C1	C2	H3	109.6°	109.5°
C3	C4	N1	108.9°	109.2°
C3	C4	H7	109.6°	109.5°
C3	C4	H8	109.6°	109.5°
C4	C3	H5	109.6°	109.5°
C4	C3	H6	109.6°	109.5°
C1	N1	C4	111.1°	110.7°
C1	N1	C5	111.6°	111.0°
N1	C1	H2	109.6°	109.5°
N1	C1	H1	109.6°	109.5°
C4	N1	C5	114.2°	111.0°
N1	C4	H7	109.6°	109.5°
N1	C4	H8	109.6°	109.5°
N1	C5	C6	109.3°	109.4°
N1	C5	H9	109.5°	109.5°
N1	C5	H10	109.5°	109.5°
C5	C6	N3	125.3°	126.6°
C5	C6	O2	125.6°	126.5°
C6	C5	H9	109.5°	109.4°
C6	C5	H10	109.5°	109.4°
N3	C6	O2	109.1°	106.9°
C6	N3	C7	108.4°	105.6°
C6	O2	N2	106.9°	109.8°
N3	C7	N2	105.5°	107.5°
N3	C7	C8	126.1°	126.3°
O2	N2	C7	110.1°	110.2°
C8	C10	C9	60.1°	60.0°
C10	C8	C7	117.0°	117.5°
C10	C8	C9	59.9°	60.0°
C10	C8	H11	116.9°	117.5°
C8	C10	H14	120.0°	117.5°
C8	C10	H15	120.0°	117.5°
C10	C9	C8	60.0°	60.0°
C10	C9	H12	120.0°	117.6°
C10	C9	H13	120.0°	117.5°
C9	C10	H14	120.0°	117.5°
C9	C10	H15	120.0°	117.4°
N2	C7	C8	128.4°	126.3°
C7	C8	C9	116.8°	117.5°
C7	C8	H11	117.0°	115.5°
C9	C8	H11	116.9°	117.5°
C8	C9	H12	120.0°	117.5°
C8	C9	H13	120.0°	117.5°
H7	C4	H8	109.5°	109.5°
H9	C5	H10	109.5°	109.5°
H12	C9	H13	109.5°	115.5°
H14	C10	H15	109.5°	115.6°
H5	C3	H6	109.5°	109.5°
H2	C1	H1	109.4°	109.4°
H4	C2	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C1	H4	120.0°	120.0°
O1	C2	C1	H3	119.9°	119.9°
C2	O1	C3	C4	63.2°	58.7°
O1	C2	C1	N1	58.3°	56.8°
C2	O1	C3	H5	176.9°	61.2°
C2	O1	C3	H6	56.7°	178.6°
O1	C2	C1	H2	178.2°	63.1°
O1	C2	C1	H1	61.7°	176.8°
O1	C2	H4	H3	120.2°	120.1°
C3	O1	C2	C1	63.2°	58.7°
O1	C3	C4	H5	119.9°	120.0°
O1	C3	C4	H6	119.9°	120.0°
O1	C3	C4	N1	58.3°	56.9°
O1	C3	C4	H7	61.6°	176.8°
O1	C3	C4	H8	178.3°	63.1°
O1	C3	H5	H6	120.3°	120.2°
C3	O1	C2	H4	56.8°	178.6°
C3	O1	C2	H3	176.9°	61.2°
C2	C1	N1	H2	119.9°	120.0°
C2	C1	N1	H1	120.0°	120.0°
C2	C1	N1	C4	56.4°	58.6°
C2	C1	N1	C5	174.9°	177.7°
C2	C1	H2	H1	120.2°	120.1°
C1	C2	H4	H3	120.2°	120.1°
C3	C4	N1	C1	56.5°	58.6°
C3	C4	N1	H7	119.9°	119.9°
C3	C4	N1	H8	119.9°	120.0°
C3	C4	N1	C5	176.2°	177.6°
C3	C4	H7	H8	120.2°	120.1°
C4	C3	H5	H6	120.3°	120.0°
C1	N1	C4	C5	127.3°	123.8°
C1	N1	C5	C6	103.9°	66.4°
C1	N1	C4	H7	63.5°	178.5°
C1	N1	C4	H8	176.3°	61.4°
C1	N1	C5	H9	16.1°	173.7°
C1	N1	C5	H10	136.2°	53.6°
N1	C1	H2	H1	120.2°	120.0°
N1	C1	C2	H4	61.7°	176.8°
N1	C1	C2	H3	178.2°	63.1°
C4	N1	C5	C6	129.1°	170.0°
N1	C4	H7	H8	120.3°	120.1°
C4	N1	C5	H9	110.9°	50.1°
C4	N1	C5	H10	9.1°	70.0°
N1	C4	C3	H5	178.3°	63.1°
N1	C4	C3	H6	61.5°	176.8°
C4	N1	C1	H2	176.3°	61.4°
C4	N1	C1	H1	63.6°	178.7°
N1	C5	C6	H9	120.0°	120.0°
N1	C5	C6	H10	119.9°	120.0°
N1	C5	C6	N3	76.5°	90.0°
N1	C5	C6	O2	103.1°	90.3°
C5	N1	C4	H7	63.8°	57.7°
C5	N1	C4	H8	56.4°	62.4°
N1	C5	H9	H10	120.1°	120.1°
C5	N1	C1	H2	55.0°	62.4°
C5	N1	C1	H1	65.1°	57.6°
C5	C6	N3	O2	179.6°	179.7°
C5	C6	N3	C7	180.0°	180.0°
C5	C6	O2	N2	180.0°	180.0°
C6	C5	H9	H10	120.1°	120.0°
N3	C6	O2	N2	0.4°	0.3°
C6	N3	C7	N2	0.3°	0.1°
C6	N3	C7	C8	180.0°	179.9°
N3	C6	C5	H9	163.6°	150.0°
N3	C6	C5	H10	43.5°	30.0°
O2	C6	N3	C7	0.4°	0.2°
C6	O2	N2	C7	0.2°	0.2°
O2	C6	C5	H9	16.9°	29.6°
O2	C6	C5	H10	137.0°	149.7°
N3	C7	N2	O2	0.0°	0.0°
N3	C7	C8	C10	18.8°	171.4°
N3	C7	N2	C8	179.7°	180.0°
N3	C7	C8	C9	49.3°	119.9°
N3	C7	C8	H11	164.9°	25.7°
O2	N2	C7	C8	179.7°	180.0°
C8	C10	C9	H14	109.5°	107.5°
C8	C10	C9	H15	109.5°	107.5°
C10	C8	C7	N2	160.8°	8.6°
C10	C8	C7	C9	68.1°	68.7°
C10	C8	C7	H11	146.1°	145.7°
C10	C8	C9	H11	107.1°	107.6°
C8	C10	C9	H12	109.5°	107.5°
C8	C10	C9	H13	109.5°	107.5°
C8	C10	H14	H15	144.7°	145.7°
C10	C9	H12	H13	144.7°	145.7°
C9	C10	H14	H15	144.7°	145.7°
N2	C7	C8	C9	131.0°	60.0°
N2	C7	C8	H11	14.7°	154.4°
C7	C8	C9	H11	145.8°	144.9°
C7	C8	C9	H12	2.3°	144.9°
C7	C8	C9	H13	143.4°	0.0°
C7	C8	C10	H14	2.6°	0.0°
C7	C8	C10	H15	143.6°	145.1°
C8	C9	H12	H13	144.8°	145.7°
H7	C4	C3	H5	58.3°	56.8°
H7	C4	C3	H6	178.5°	63.2°
H8	C4	C3	H5	61.8°	177.0°
H8	C4	C3	H6	58.4°	56.9°
H11	C8	C9	H12	143.5°	0.0°
H11	C8	C9	H13	2.4°	145.0°
H11	C8	C10	H14	143.5°	145.0°
H11	C8	C10	H15	2.5°	0.0°
H12	C9	C10	H14	0.0°	145.0°
H12	C9	C10	H15	141.0°	0.0°
H13	C9	C10	H14	141.0°	0.0°
H13	C9	C10	H15	0.1°	145.0°
H2	C1	C2	H4	58.3°	56.8°
H2	C1	C2	H3	61.8°	176.9°
H1	C1	C2	H4	178.4°	63.2°
H1	C1	C2	H3	58.3°	56.9°

Release date:	2021-06-30
Definition date:	2020-11-19
Last modified:	2021-06-25
Release status:	REL
Processing site:	RCSB
Derived from:	5S5I