84N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C4	sing	1.47Å	1.48Å
N	C3	sing	1.35Å	1.35Å
C4	C1	sing	1.51Å	1.48Å
C4	C5	sing	1.53Å	1.56Å
C3	O1	doub	1.22Å	1.26Å
C3	C2	sing	1.41Å	1.40Å
C1	C2	doub	1.34Å	1.40Å
C1	O	sing	1.35Å	1.34Å
C5	C6	sing	1.51Å	1.53Å
O	C	sing	1.45Å	1.43Å
C6	C7	doub	1.34Å	1.42Å	Aromatic
C6	C9	sing	1.46Å	1.47Å	Aromatic
C7	N1	sing	1.37Å	1.39Å	Aromatic
C9	C10	doub	1.40Å	1.38Å	Aromatic
C9	C8	sing	1.41Å	1.50Å	Aromatic
C10	C11	sing	1.37Å	1.40Å	Aromatic
N1	C8	sing	1.38Å	1.33Å	Aromatic
C8	C13	doub	1.39Å	1.38Å	Aromatic
C11	C12	doub	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.42Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C	H58	sing	1.09Å	1.10Å
C	H59	sing	1.09Å	1.10Å
C	H60	sing	1.09Å	1.10Å
C10	H61	sing	1.08Å	1.08Å
C11	H62	sing	1.08Å	1.08Å
C12	H63	sing	1.08Å	1.08Å
C13	H64	sing	1.08Å	1.08Å
C7	H65	sing	1.08Å	1.08Å
N	H3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N	C3	112.8°	107.2°
N	C4	C1	96.0°	104.9°
N	C4	C5	115.1°	110.3°
N	C4	H4	112.5°	110.6°
C4	N	H3	123.6°	126.4°
N	C3	O1	129.3°	124.5°
N	C3	C2	112.4°	111.1°
C3	N	H3	123.6°	126.4°
C1	C4	C5	108.6°	110.4°
C4	C1	C2	117.1°	106.4°
C4	C1	O	119.0°	126.8°
C1	C4	H4	112.4°	110.3°
C4	C5	C6	112.4°	109.5°
C5	C4	H4	111.3°	110.3°
C4	C5	H5	108.7°	109.4°
C4	C5	H6	108.8°	109.5°
O1	C3	C2	118.2°	124.4°
C3	C2	C1	101.5°	110.4°
C3	C2	H2	129.3°	124.8°
C2	C1	O	123.8°	126.8°
C1	C2	H2	129.2°	124.8°
C1	O	C	121.9°	117.0°
C5	C6	C7	129.9°	126.5°
C5	C6	C9	126.7°	126.5°
C6	C5	H5	108.8°	109.5°
C6	C5	H6	108.7°	109.5°
O	C	H58	109.5°	109.5°
O	C	H59	109.5°	109.4°
O	C	H60	109.5°	109.5°
C7	C6	C9	103.4°	107.0°
C6	C7	N1	112.4°	109.9°
C6	C7	H65	123.8°	125.0°
C6	C9	C10	132.0°	134.1°
C6	C9	C8	106.3°	106.0°
C7	N1	C8	109.7°	109.9°
C7	N1	H1	125.2°	125.1°
N1	C7	H65	123.8°	125.1°
C10	C9	C8	121.6°	119.9°
C9	C10	C11	118.4°	119.8°
C9	C10	H61	120.8°	120.1°
C9	C8	N1	108.2°	107.1°
C9	C8	C13	117.5°	119.3°
C10	C11	C12	120.9°	120.5°
C11	C10	H61	120.8°	120.1°
C10	C11	H62	119.6°	119.7°
N1	C8	C13	134.3°	133.6°
C8	N1	H1	125.2°	125.0°
C8	C13	C12	119.7°	119.8°
C8	C13	H64	120.1°	120.0°
C11	C12	C13	121.8°	120.6°
C12	C11	H62	119.6°	119.7°
C11	C12	H63	119.1°	119.7°
C13	C12	H63	119.1°	119.7°
C12	C13	H64	120.1°	120.1°
H5	C5	H6	109.5°	109.5°
H58	C	H59	109.5°	109.5°
H58	C	H60	109.4°	109.5°
H59	C	H60	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N	C3	H3	180.0°	179.9°
N	C4	C1	C5	119.0°	118.8°
N	C4	C1	H4	117.3°	119.1°
N	C4	C5	H4	129.4°	122.4°
C4	N	C3	O1	179.0°	179.9°
C4	N	C3	C2	0.4°	0.2°
N	C4	C1	C2	3.9°	0.1°
N	C4	C1	O	179.7°	180.0°
N	C4	C5	C6	59.9°	69.6°
N	C4	C5	H5	179.7°	50.4°
N	C4	C5	H6	60.5°	170.4°
C3	N	C4	C1	2.4°	0.0°
C3	N	C4	C5	111.4°	118.8°
N	C3	O1	C2	178.5°	179.9°
N	C3	C2	C1	2.0°	0.3°
N	C3	C2	H2	178.0°	180.0°
C3	N	C4	H4	119.7°	119.0°
C1	C4	C5	H4	124.3°	122.1°
C4	C1	C2	C3	3.9°	0.2°
C4	C1	C2	O	176.1°	179.8°
C1	C4	C5	C6	46.4°	175.0°
C4	C1	O	C	172.3°	180.0°
C4	C1	C2	H2	176.1°	180.0°
C1	C4	C5	H5	74.1°	65.0°
C1	C4	C5	H6	166.8°	55.0°
C1	C4	N	H3	177.5°	180.0°
C5	C4	C1	C2	115.1°	118.9°
C5	C4	C1	O	61.2°	61.3°
C4	C5	C6	H5	120.4°	119.9°
C4	C5	C6	H6	120.4°	120.0°
C4	C5	C6	C7	65.3°	95.1°
C4	C5	C6	C9	112.0°	84.6°
C4	C5	H5	H6	118.7°	120.0°
C5	C4	N	H3	68.6°	61.1°
O1	C3	C2	C1	176.8°	179.8°
O1	C3	C2	H2	3.2°	0.1°
O1	C3	N	H3	1.0°	0.0°
C3	C2	C1	H2	180.0°	179.7°
C3	C2	C1	O	180.0°	179.9°
C2	C3	N	H3	179.6°	179.9°
C2	C1	O	C	3.8°	0.2°
C2	C1	C4	H4	121.3°	119.0°
O	C1	C2	H2	0.0°	0.2°
O	C1	C4	H4	62.4°	60.9°
C1	O	C	H58	180.0°	180.0°
C1	O	C	H59	60.0°	60.0°
C1	O	C	H60	60.0°	59.9°
C5	C6	C7	C9	177.8°	179.7°
C5	C6	C7	N1	176.5°	179.9°
C5	C6	C9	C10	2.8°	0.3°
C5	C6	C9	C8	177.6°	179.9°
C6	C5	C4	H4	170.7°	52.9°
C6	C5	H5	H6	118.7°	120.0°
C5	C6	C7	H65	3.4°	0.3°
O	C	H58	H59	120.0°	120.0°
O	C	H58	H60	120.0°	120.0°
O	C	H59	H60	120.0°	119.9°
C6	C7	N1	H65	180.0°	179.6°
C7	C6	C9	C10	179.3°	180.0°
C7	C6	C9	C8	0.2°	0.2°
C6	C7	N1	C8	1.9°	0.4°
C6	C7	N1	H1	178.2°	179.9°
C7	C6	C5	H5	174.2°	145.0°
C7	C6	C5	H6	55.1°	24.9°
C9	C6	C7	N1	1.2°	0.4°
C6	C9	C10	C8	179.5°	179.8°
C6	C9	C10	C11	179.3°	180.0°
C6	C9	C8	N1	0.8°	0.1°
C6	C9	C8	C13	178.5°	180.0°
C9	C6	C5	H5	8.5°	35.4°
C9	C6	C5	H6	127.6°	155.4°
C6	C9	C10	H61	0.7°	0.1°
C9	C6	C7	H65	178.8°	180.0°
C7	N1	C8	C9	1.6°	0.3°
C7	N1	C8	H1	180.0°	179.7°
C7	N1	C8	C13	177.5°	179.8°
C9	C10	C11	H61	180.0°	179.9°
C10	C9	C8	N1	179.6°	179.8°
C10	C9	C8	C13	1.2°	0.2°
C9	C10	C11	C12	1.1°	0.0°
C9	C10	C11	H62	178.9°	180.0°
C8	C9	C10	C11	0.2°	0.2°
C9	C8	N1	C13	179.1°	179.9°
C9	C8	C13	C12	0.7°	0.1°
C9	C8	N1	H1	178.4°	180.0°
C8	C9	C10	H61	179.8°	179.8°
C9	C8	C13	H64	179.3°	180.0°
C10	C11	C12	H62	180.0°	180.0°
C10	C11	C12	C13	1.6°	0.3°
C10	C11	C12	H63	178.4°	179.9°
N1	C8	C13	C12	179.8°	180.0°
N1	C8	C13	H64	0.3°	0.0°
C8	N1	C7	H65	178.1°	180.0°
C8	C13	C12	C11	0.6°	0.4°
C8	C13	C12	H64	180.0°	179.9°
C13	C8	N1	H1	2.5°	0.1°
C8	C13	C12	H63	179.4°	179.9°
C11	C12	C13	H63	180.0°	179.8°
C12	C11	C10	H61	178.9°	179.9°
C11	C12	C13	H64	179.4°	179.7°
C13	C12	C11	H62	178.4°	179.7°
H1	N1	C7	H65	1.8°	0.3°
H4	C4	C5	H5	50.2°	172.9°
H4	C4	C5	H6	68.9°	67.2°
H4	C4	N	H3	60.2°	61.1°
H58	C	H59	H60	120.0°	120.0°
H61	C10	C11	H62	1.1°	0.1°
H62	C11	C12	H63	1.6°	0.1°
H63	C12	C13	H64	0.6°	0.0°

Release date:	2022-03-02
Definition date:	2021-09-03
Last modified:	2022-02-25
Release status:	REL
Processing site:	RCSB
Derived from:	7S19