2UQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N5	C6	doub	1.32Å	1.37Å	Aromatic
N5	C4	sing	1.33Å	1.39Å	Aromatic
C6	C1	sing	1.40Å	1.43Å	Aromatic
C18	C17	doub	1.38Å	1.43Å	Aromatic
C18	C11	sing	1.38Å	1.44Å	Aromatic
C17	C16	sing	1.38Å	1.43Å	Aromatic
N9	C10	sing	1.47Å	1.48Å
N9	C7	sing	1.35Å	1.39Å
C10	C11	sing	1.51Å	1.57Å
C11	C14	doub	1.38Å	1.43Å	Aromatic
C12	C4	sing	1.48Å	1.44Å
C12	N13	doub	1.29Å	1.26Å
C16	C15	doub	1.38Å	1.42Å	Aromatic
C4	N3	doub	1.33Å	1.39Å	Aromatic
C1	C7	sing	1.48Å	1.55Å
C1	C2	doub	1.40Å	1.42Å	Aromatic
C14	C15	sing	1.38Å	1.42Å	Aromatic
C7	O8	doub	1.22Å	1.27Å
N3	C2	sing	1.32Å	1.39Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C18	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
N9	H9	sing	0.97Å	1.00Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
N13	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N5	C4	120.7°	120.9°
N5	C6	C1	118.0°	119.0°
N5	C6	H8	120.9°	120.6°
N5	C4	C12	120.0°	119.0°
N5	C4	N3	123.3°	121.9°
C6	C1	C7	123.6°	120.9°
C6	C1	C2	119.8°	118.2°
C1	C6	H8	121.0°	120.4°
C17	C18	C11	120.8°	120.0°
C18	C17	C16	119.8°	120.0°
C18	C17	H6	120.1°	120.0°
C17	C18	H7	119.6°	119.9°
C18	C11	C10	120.4°	120.0°
C18	C11	C14	117.9°	120.0°
C11	C18	H7	119.6°	120.0°
C17	C16	C15	119.9°	120.1°
C17	C16	H5	120.0°	120.0°
C16	C17	H6	120.1°	120.0°
C10	N9	C7	123.7°	120.0°
N9	C10	C11	112.8°	109.5°
C10	N9	H9	118.1°	119.9°
N9	C10	H10	108.6°	109.4°
N9	C10	H11	108.6°	109.5°
N9	C7	C1	117.5°	120.0°
N9	C7	O8	124.8°	120.0°
C7	N9	H9	118.1°	120.1°
C10	C11	C14	121.7°	120.0°
C11	C10	H10	108.6°	109.4°
C11	C10	H11	108.6°	109.5°
C11	C14	C15	121.6°	120.0°
C11	C14	H3	119.2°	120.0°
C4	C12	N13	118.1°	120.0°
C12	C4	N3	116.2°	119.1°
C4	C12	H2	120.9°	120.0°
N13	C12	H2	121.0°	120.0°
C12	N13	H12	112.0°	119.9°
C16	C15	C14	119.8°	120.0°
C16	C15	H4	120.1°	120.1°
C15	C16	H5	120.0°	120.0°
C4	N3	C2	116.9°	120.9°
C7	C1	C2	116.5°	120.9°
C1	C7	O8	117.2°	120.0°
C1	C2	N3	121.3°	119.0°
C1	C2	H1	119.4°	120.4°
C15	C14	H3	119.2°	120.0°
C14	C15	H4	120.1°	120.0°
N3	C2	H1	119.4°	120.6°
H10	C10	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C6	C1	H8	180.0°	179.4°
C6	N5	C4	C12	174.0°	179.6°
C6	N5	C4	N3	2.2°	0.4°
N5	C6	C1	C7	175.4°	179.7°
N5	C6	C1	C2	1.8°	0.6°
C4	N5	C6	C1	0.2°	0.6°
N5	C4	C12	N3	172.3°	180.0°
N5	C4	C12	N13	175.7°	0.0°
N5	C4	N3	C2	2.8°	0.0°
N5	C4	C12	H2	4.3°	180.0°
C4	N5	C6	H8	179.8°	179.9°
C6	C1	C7	N9	23.6°	0.3°
C6	C1	C7	C2	177.3°	179.7°
C6	C1	C7	O8	163.7°	179.8°
C6	C1	C2	N3	1.2°	0.2°
C6	C1	C2	H1	178.8°	179.7°
C17	C18	C11	H7	180.0°	179.9°
C18	C17	C16	H6	180.0°	180.0°
C17	C18	C11	C10	180.0°	179.7°
C17	C18	C11	C14	0.1°	0.1°
C18	C17	C16	C15	0.6°	0.0°
C18	C17	C16	H5	179.5°	180.0°
C11	C18	C17	C16	0.0°	0.0°
C18	C11	C10	N9	144.4°	90.2°
C18	C11	C10	C14	179.9°	179.8°
C18	C11	C14	C15	0.7°	0.1°
C18	C11	C14	H3	179.3°	180.0°
C11	C18	C17	H6	180.0°	180.0°
C18	C11	C10	H10	95.1°	29.7°
C18	C11	C10	H11	23.9°	149.8°
C17	C16	C15	H5	180.0°	180.0°
C17	C16	C15	C14	1.2°	0.1°
C17	C16	C15	H4	178.8°	180.0°
C16	C17	C18	H7	179.9°	180.0°
C10	N9	C7	H9	180.0°	179.9°
N9	C10	C11	H10	120.5°	119.9°
N9	C10	C11	H11	120.5°	120.0°
N9	C10	C11	C14	35.6°	90.0°
C10	N9	C7	C1	176.3°	180.0°
C10	N9	C7	O8	4.2°	0.1°
N9	C10	H10	H11	118.5°	120.0°
C7	N9	C10	C11	94.5°	180.0°
N9	C7	C1	O8	172.8°	179.9°
N9	C7	C1	C2	153.7°	180.0°
C7	N9	C10	H10	26.0°	60.1°
C7	N9	C10	H11	145.0°	60.0°
C10	C11	C14	C15	179.3°	179.7°
C10	C11	C14	H3	0.7°	0.2°
C10	C11	C18	H7	0.1°	0.2°
C11	C10	N9	H9	85.5°	0.1°
C11	C10	H10	H11	118.5°	120.0°
C11	C14	C15	C16	1.3°	0.1°
C11	C14	C15	H3	180.0°	179.9°
C11	C14	C15	H4	178.7°	180.0°
C14	C11	C18	H7	179.9°	180.0°
C14	C11	C10	H10	84.8°	150.1°
C14	C11	C10	H11	156.2°	30.0°
C4	C12	N13	H2	180.0°	179.9°
C12	C4	N3	C2	174.8°	180.0°
C4	C12	N13	H12	180.0°	180.0°
N13	C12	C4	N3	12.0°	180.0°
C16	C15	C14	H4	180.0°	179.9°
C16	C15	C14	H3	178.7°	180.0°
C15	C16	C17	H6	179.4°	180.0°
C4	N3	C2	C1	1.0°	0.1°
C4	N3	C2	H1	179.0°	180.0°
N3	C4	C12	H2	168.0°	0.0°
C7	C1	C2	N3	176.2°	180.0°
C7	C1	C2	H1	3.8°	0.0°
C7	C1	C6	H8	4.6°	0.3°
C1	C7	N9	H9	3.7°	0.1°
C2	C1	C7	O8	19.0°	0.0°
C1	C2	N3	H1	180.0°	179.9°
C2	C1	C6	H8	178.2°	180.0°
C14	C15	C16	H5	178.8°	180.0°
O8	C7	N9	H9	175.8°	180.0°
H2	C12	N13	H12	0.0°	0.1°
H3	C14	C15	H4	1.3°	0.1°
H4	C15	C16	H5	1.2°	0.1°
H5	C16	C17	H6	0.5°	0.0°
H6	C17	C18	H7	0.1°	0.1°
H9	N9	C10	H10	154.0°	120.0°
H9	N9	C10	H11	35.0°	120.0°

Release date:	2014-09-10
Definition date:	2014-05-08
Last modified:	2014-09-05
Release status:	REL
Processing site:	RCSB
Derived from:	4PID