Q5C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C3	doub	1.32Å	1.33Å	Aromatic
N	C4	sing	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.40Å	Aromatic
C2	C1	doub	1.38Å	1.40Å	Aromatic
C5	C1	sing	1.39Å	1.41Å	Aromatic
C5	N1	sing	1.40Å	1.42Å
C1	C	sing	1.51Å	1.51Å
O	C6	doub	1.21Å	1.22Å
N1	C6	sing	1.35Å	1.36Å
C6	C7	sing	1.51Å	1.52Å
C7	N2	sing	1.46Å	1.45Å
N2	C8	sing	1.35Å	1.33Å
C14	N3	doub	1.32Å	1.34Å	Aromatic
C14	C10	sing	1.38Å	1.39Å	Aromatic
N3	C13	sing	1.32Å	1.34Å	Aromatic
C8	C9	sing	1.51Å	1.52Å
C8	O1	doub	1.21Å	1.23Å
C9	C10	sing	1.51Å	1.51Å
C10	C11	doub	1.39Å	1.38Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.39Å	1.38Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
N2	H11	sing	0.97Å	1.00Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.08Å	1.08Å
C2	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	N	C4	117.4°	121.8°
N	C3	C2	123.5°	120.9°
N	C3	H15	118.2°	119.6°
N	C4	C5	123.7°	120.7°
N	C4	H2	118.2°	119.7°
C3	C2	C1	119.7°	119.3°
C2	C3	H15	118.2°	119.5°
C3	C2	H16	120.2°	120.3°
C4	C5	C1	118.1°	119.1°
C4	C5	N1	122.8°	120.5°
C5	C4	H2	118.1°	119.7°
C2	C1	C5	117.5°	118.3°
C2	C1	C	120.6°	120.8°
C1	C2	H16	120.2°	120.4°
C1	C5	N1	119.0°	120.5°
C5	C1	C	121.9°	120.8°
C5	N1	C6	128.1°	120.0°
C5	N1	H1	115.9°	120.0°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.5°	109.4°
C1	C	H14	109.5°	109.4°
O	C6	N1	123.6°	120.0°
O	C6	C7	120.1°	120.0°
N1	C6	C7	116.3°	120.0°
C6	N1	H1	115.9°	120.0°
C6	C7	N2	115.1°	109.4°
C6	C7	H3	108.0°	109.5°
C6	C7	H4	108.0°	109.5°
C7	N2	C8	121.6°	120.0°
N2	C7	H3	108.1°	109.5°
N2	C7	H4	108.0°	109.5°
C7	N2	H11	119.2°	120.0°
N2	C8	C9	115.8°	120.0°
N2	C8	O1	122.6°	120.0°
C8	N2	H11	119.2°	120.0°
N3	C14	C10	124.1°	120.7°
C14	N3	C13	117.2°	121.7°
N3	C14	H8	118.0°	119.7°
C14	C10	C9	121.2°	120.4°
C14	C10	C11	117.1°	119.2°
C10	C14	H8	118.0°	119.6°
N3	C13	C12	123.4°	120.8°
N3	C13	H5	118.3°	119.6°
C9	C8	O1	121.5°	120.0°
C8	C9	C10	113.6°	109.5°
C8	C9	H6	108.4°	109.5°
C8	C9	H7	108.4°	109.4°
C9	C10	C11	121.6°	120.4°
C10	C9	H6	108.4°	109.5°
C10	C9	H7	108.4°	109.5°
C10	C11	C12	120.1°	118.4°
C10	C11	H10	120.0°	120.8°
C13	C12	C11	118.2°	119.2°
C12	C13	H5	118.3°	119.6°
C13	C12	H9	120.9°	120.4°
C11	C12	H9	120.9°	120.4°
C12	C11	H10	120.0°	120.8°
H3	C7	H4	109.4°	109.5°
H6	C9	H7	109.5°	109.5°
H12	C	H13	109.5°	109.5°
H12	C	H14	109.4°	109.6°
H13	C	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C3	C2	H15	180.0°	179.4°
C3	N	C4	C5	0.1°	0.0°
N	C3	C2	C1	0.3°	0.8°
C3	N	C4	H2	179.9°	179.7°
N	C3	C2	H16	179.7°	179.9°
C4	N	C3	C2	0.5°	0.6°
N	C4	C5	H2	180.0°	179.7°
N	C4	C5	C1	0.5°	0.3°
N	C4	C5	N1	178.4°	179.8°
C4	N	C3	H15	179.4°	179.9°
C3	C2	C1	H16	180.0°	179.3°
C3	C2	C1	C5	0.3°	0.4°
C3	C2	C1	C	178.2°	179.5°
C4	C5	C1	C2	0.7°	0.1°
C4	C5	C1	N1	178.9°	179.9°
C4	C5	C1	C	177.9°	180.0°
C4	C5	N1	C6	90.2°	24.7°
C4	C5	N1	H1	89.8°	155.0°
C2	C1	C5	C	178.6°	179.9°
C2	C1	C5	N1	178.2°	180.0°
C2	C1	C	H12	90.7°	89.9°
C2	C1	C	H13	149.3°	30.1°
C2	C1	C	H14	29.3°	150.0°
C1	C2	C3	H15	179.7°	179.8°
C1	C5	N1	C6	90.9°	155.2°
C1	C5	N1	H1	89.1°	25.2°
C1	C5	C4	H2	179.5°	180.0°
C5	C1	C	H12	90.8°	90.0°
C5	C1	C	H13	29.2°	150.0°
C5	C1	C	H14	149.3°	30.1°
C5	C1	C2	H16	179.7°	179.8°
N1	C5	C1	C	3.2°	0.1°
C5	N1	C6	O	10.9°	5.7°
C5	N1	C6	H1	180.0°	179.7°
C5	N1	C6	C7	168.1°	174.3°
N1	C5	C4	H2	1.6°	0.1°
C1	C	H12	H13	120.0°	119.9°
C1	C	H12	H14	120.0°	120.0°
C1	C	H13	H14	120.0°	119.9°
C	C1	C2	H16	1.7°	0.1°
O	C6	N1	C7	178.9°	180.0°
O	C6	C7	N2	180.0°	0.0°
O	C6	N1	H1	169.1°	174.6°
O	C6	C7	H3	59.1°	120.0°
O	C6	C7	H4	59.2°	120.0°
N1	C6	C7	N2	1.1°	180.0°
N1	C6	C7	H3	121.9°	60.0°
N1	C6	C7	H4	119.8°	60.0°
C6	C7	N2	H3	120.8°	120.0°
C6	C7	N2	H4	120.8°	120.0°
C6	C7	N2	C8	90.1°	180.0°
C7	C6	N1	H1	12.0°	5.4°
C6	C7	H3	H4	117.4°	120.0°
C6	C7	N2	H11	89.9°	0.1°
C7	N2	C8	H11	180.0°	179.9°
C7	N2	C8	C9	159.0°	180.0°
C7	N2	C8	O1	18.6°	0.0°
N2	C7	H3	H4	117.4°	120.0°
N2	C8	C9	O1	177.6°	180.0°
N2	C8	C9	C10	54.3°	180.0°
C8	N2	C7	H3	149.0°	60.0°
C8	N2	C7	H4	30.7°	60.0°
N2	C8	C9	H6	174.9°	60.0°
N2	C8	C9	H7	66.3°	60.0°
N3	C14	C10	H8	180.0°	179.9°
N3	C14	C10	C9	179.9°	180.0°
N3	C14	C10	C11	0.5°	0.0°
C14	N3	C13	C12	0.2°	0.1°
C14	N3	C13	H5	179.8°	179.9°
C10	C14	N3	C13	0.1°	0.1°
C14	C10	C9	C8	67.1°	90.0°
C14	C10	C9	C11	179.4°	180.0°
C14	C10	C11	C12	0.5°	0.1°
C14	C10	C9	H6	172.3°	150.0°
C14	C10	C9	H7	53.5°	29.9°
C14	C10	C11	H10	179.5°	180.0°
N3	C13	C12	H5	180.0°	180.0°
N3	C13	C12	C11	0.2°	0.0°
C13	N3	C14	H8	179.9°	180.0°
N3	C13	C12	H9	179.8°	180.0°
C8	C9	C10	H6	120.6°	120.0°
C8	C9	C10	H7	120.6°	120.0°
C8	C9	C10	C11	113.5°	90.0°
C8	C9	H6	H7	118.1°	120.0°
C9	C8	N2	H11	21.0°	0.1°
O1	C8	C9	C10	128.1°	0.0°
O1	C8	C9	H6	7.5°	120.0°
O1	C8	C9	H7	111.2°	120.0°
O1	C8	N2	H11	161.4°	180.0°
C9	C10	C11	C12	179.9°	179.9°
C10	C9	H6	H7	118.1°	120.1°
C9	C10	C14	H8	0.1°	0.0°
C9	C10	C11	H10	0.1°	0.0°
C10	C11	C12	C13	0.2°	0.1°
C10	C11	C12	H10	180.0°	179.9°
C11	C10	C9	H6	7.1°	30.0°
C11	C10	C9	H7	125.9°	150.1°
C11	C10	C14	H8	179.5°	179.9°
C10	C11	C12	H9	179.8°	180.0°
C13	C12	C11	H9	180.0°	179.9°
C13	C12	C11	H10	179.8°	180.0°
C11	C12	C13	H5	179.8°	180.0°
H3	C7	N2	H11	31.0°	119.9°
H4	C7	N2	H11	149.3°	120.1°
H5	C13	C12	H9	0.2°	0.0°
H9	C12	C11	H10	0.2°	0.0°
H12	C	H13	H14	120.0°	120.1°
H15	C3	C2	H16	0.4°	0.5°

Release date:	2023-11-08
Definition date:	2023-08-18
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GHC