N74

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.41Å
O1	C1	sing	1.34Å	1.37Å	Aromatic
O1	N4	sing	1.21Å	1.45Å	Aromatic
C1	C2	doub	1.35Å	1.36Å	Aromatic
N4	C3	doub	1.31Å	1.35Å	Aromatic
C2	C3	sing	1.42Å	1.44Å	Aromatic
C3	N	sing	1.39Å	1.37Å
N	C4	sing	1.35Å	1.44Å
O	C4	doub	1.22Å	1.31Å
C4	N1	sing	1.35Å	1.38Å
N1	C5	sing	1.41Å	1.35Å
C5	C6	sing	1.40Å	1.45Å	Aromatic
C5	C14	doub	1.36Å	1.42Å	Aromatic
C12	C11	doub	1.38Å	1.40Å	Aromatic
C12	C13	sing	1.38Å	1.41Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C6	N2	doub	1.31Å	1.32Å	Aromatic
C14	N3	sing	1.36Å	1.40Å	Aromatic
C10	C9	doub	1.38Å	1.40Å	Aromatic
C13	C8	doub	1.38Å	1.43Å	Aromatic
N2	N3	sing	1.40Å	1.34Å	Aromatic
N3	C7	sing	1.47Å	1.43Å
C9	C8	sing	1.38Å	1.41Å	Aromatic
C8	C7	sing	1.51Å	1.56Å
N1	H1	sing	0.97Å	1.00Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
N	H7	sing	0.97Å	1.00Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C2	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O1	118.6°	126.7°
C	C1	C2	130.2°	126.7°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.5°	109.5°
C1	C	H10	109.5°	109.5°
C1	O1	N4	106.2°	111.8°
O1	C1	C2	111.2°	106.6°
O1	N4	C3	107.4°	111.5°
C1	C2	C3	106.3°	104.0°
C1	C2	H14	126.9°	128.0°
N4	C3	C2	109.0°	106.2°
N4	C3	N	123.2°	126.9°
C2	C3	N	127.6°	126.9°
C3	C2	H14	126.9°	128.0°
C3	N	C4	119.8°	120.0°
C3	N	H7	120.1°	120.0°
N	C4	O	123.7°	120.0°
N	C4	N1	113.0°	120.0°
C4	N	H7	120.1°	120.0°
O	C4	N1	123.2°	120.0°
C4	N1	C5	120.9°	120.0°
C4	N1	H1	119.5°	120.0°
N1	C5	C6	126.2°	126.1°
N1	C5	C14	126.8°	126.1°
C5	N1	H1	119.6°	120.0°
C6	C5	C14	106.9°	107.8°
C5	C6	N2	109.8°	108.4°
C5	C6	H2	125.1°	125.8°
C5	C14	N3	101.6°	107.6°
C5	C14	H13	129.2°	126.2°
C11	C12	C13	120.3°	120.0°
C12	C11	C10	120.1°	120.0°
C12	C11	H11	119.9°	120.0°
C11	C12	H12	119.9°	120.0°
C12	C13	C8	120.2°	120.0°
C12	C13	H6	119.9°	120.1°
C13	C12	H12	119.8°	120.0°
C11	C10	C9	120.0°	120.0°
C11	C10	H5	120.0°	120.0°
C10	C11	H11	119.9°	120.0°
C6	N2	N3	106.1°	108.4°
N2	C6	H2	125.1°	125.8°
C14	N3	N2	115.4°	107.9°
C14	N3	C7	127.9°	126.1°
N3	C14	H13	129.2°	126.2°
C10	C9	C8	121.2°	120.0°
C9	C10	H5	120.0°	120.0°
C10	C9	H15	119.4°	120.0°
C13	C8	C9	118.1°	120.0°
C13	C8	C7	124.8°	120.0°
C8	C13	H6	119.9°	120.0°
N2	N3	C7	115.0°	126.1°
N3	C7	C8	110.4°	109.5°
N3	C7	H3	109.2°	109.4°
N3	C7	H4	109.2°	109.5°
C9	C8	C7	117.0°	120.0°
C8	C9	H15	119.4°	120.0°
C8	C7	H3	109.3°	109.5°
C8	C7	H4	109.2°	109.5°
H3	C7	H4	109.5°	109.5°
H8	C	H9	109.5°	109.5°
H8	C	H10	109.5°	109.4°
H9	C	H10	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O1	C2	177.1°	179.7°
C	C1	O1	N4	176.1°	179.9°
C	C1	C2	C3	176.4°	179.9°
C1	C	H8	H9	120.0°	120.0°
C1	C	H8	H10	120.0°	120.0°
C1	C	H9	H10	120.0°	120.0°
C	C1	C2	H14	3.6°	0.1°
C1	O1	N4	C3	1.4°	0.4°
O1	C1	C2	C3	0.3°	0.2°
O1	C1	C	H8	0.0°	90.3°
O1	C1	C	H9	120.0°	29.7°
O1	C1	C	H10	120.0°	149.7°
O1	C1	C2	H14	179.8°	179.8°
N4	O1	C1	C2	1.0°	0.4°
O1	N4	C3	C2	1.2°	0.2°
O1	N4	C3	N	174.1°	179.8°
C1	C2	C3	N4	0.7°	0.0°
C1	C2	C3	H14	180.0°	179.9°
C1	C2	C3	N	174.4°	180.0°
C2	C1	C	H8	176.5°	90.0°
C2	C1	C	H9	63.5°	150.0°
C2	C1	C	H10	56.5°	29.9°
N4	C3	C2	N	175.0°	180.0°
N4	C3	N	C4	175.9°	180.0°
N4	C3	N	H7	4.1°	0.0°
N4	C3	C2	H14	179.3°	180.0°
C2	C3	N	C4	1.5°	0.0°
C2	C3	N	H7	178.5°	180.0°
C3	N	C4	H7	180.0°	179.9°
C3	N	C4	O	4.0°	0.0°
C3	N	C4	N1	178.4°	180.0°
N	C3	C2	H14	5.6°	0.0°
N	C4	O	N1	177.4°	179.9°
N	C4	N1	C5	179.1°	180.0°
N	C4	N1	H1	0.9°	0.3°
O	C4	N1	C5	1.5°	0.1°
O	C4	N1	H1	178.5°	179.7°
O	C4	N	H7	176.0°	179.9°
C4	N1	C5	H1	180.0°	179.7°
C4	N1	C5	C6	31.3°	0.3°
C4	N1	C5	C14	145.2°	179.8°
N1	C4	N	H7	1.6°	0.0°
N1	C5	C6	C14	177.1°	179.9°
N1	C5	C6	N2	176.5°	180.0°
N1	C5	C14	N3	174.3°	179.8°
N1	C5	C6	H2	3.5°	0.0°
N1	C5	C14	H13	5.6°	0.3°
C5	C6	N2	H2	180.0°	180.0°
C6	C5	C14	N3	2.7°	0.1°
C5	C6	N2	N3	2.0°	0.2°
C6	C5	N1	H1	148.7°	180.0°
C6	C5	C14	H13	177.3°	179.8°
C14	C5	C6	N2	0.5°	0.1°
C5	C14	N3	H13	180.0°	179.9°
C5	C14	N3	N2	4.3°	0.2°
C5	C14	N3	C7	159.8°	180.0°
C14	C5	N1	H1	34.8°	0.1°
C14	C5	C6	H2	179.5°	179.9°
C11	C12	C13	H12	180.0°	180.0°
C12	C11	C10	H11	180.0°	179.7°
C12	C11	C10	C9	0.4°	0.3°
C11	C12	C13	C8	2.6°	0.0°
C12	C11	C10	H5	179.6°	179.7°
C11	C12	C13	H6	177.4°	180.0°
C13	C12	C11	C10	1.6°	0.3°
C12	C13	C8	H6	180.0°	180.0°
C12	C13	C8	C9	1.7°	0.3°
C12	C13	C8	C7	176.1°	180.0°
C13	C12	C11	H11	178.4°	180.0°
C11	C10	C9	H5	180.0°	179.9°
C11	C10	C9	C8	1.4°	0.1°
C10	C11	C12	H12	178.4°	179.8°
C11	C10	C9	H15	178.6°	179.9°
C6	N2	N3	C14	4.1°	0.3°
C6	N2	N3	C7	162.1°	180.0°
C14	N3	N2	C7	166.2°	179.7°
C14	N3	C7	C8	103.3°	125.0°
C14	N3	C7	H3	136.6°	115.0°
C14	N3	C7	H4	16.9°	5.0°
C10	C9	C8	C13	0.3°	0.2°
C10	C9	C8	H15	180.0°	179.9°
C10	C9	C8	C7	178.3°	180.0°
C9	C10	C11	H11	179.6°	180.0°
C13	C8	C7	N3	44.6°	90.0°
C13	C8	C9	C7	177.9°	179.8°
C13	C8	C7	H3	75.5°	30.0°
C13	C8	C7	H4	164.7°	150.0°
C8	C13	C12	H12	177.4°	180.0°
C13	C8	C9	H15	179.7°	179.6°
N2	N3	C7	C8	60.9°	55.3°
N3	N2	C6	H2	178.0°	179.8°
N2	N3	C7	H3	59.3°	64.7°
N2	N3	C7	H4	179.0°	175.4°
N2	N3	C14	H13	175.7°	179.7°
N3	C7	C8	C9	133.2°	90.2°
N3	C7	C8	H3	120.1°	120.0°
N3	C7	C8	H4	120.1°	120.0°
N3	C7	H3	H4	119.5°	120.0°
C7	N3	C14	H13	20.2°	0.0°
C9	C8	C7	H3	106.7°	149.8°
C9	C8	C7	H4	13.0°	29.7°
C8	C9	C10	H5	178.6°	180.0°
C9	C8	C13	H6	178.3°	179.7°
C8	C7	H3	H4	119.6°	120.0°
C7	C8	C13	H6	3.9°	0.0°
C7	C8	C9	H15	1.7°	0.1°
H5	C10	C11	H11	0.4°	0.1°
H5	C10	C9	H15	1.4°	0.1°
H6	C13	C12	H12	2.7°	0.1°
H8	C	H9	H10	120.0°	120.0°
H11	C11	C12	H12	1.6°	0.1°

Release date:	2019-12-18
Definition date:	2019-05-03
Last modified:	2019-12-13
Release status:	REL
Processing site:	RCSB
Derived from:	5QQM