NC3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.46Å	1.51Å
C1	C10	sing	1.53Å	1.56Å
C1	C14	sing	1.53Å	1.56Å
C1	H1	sing	1.09Å	1.10Å
N2	C3	sing	1.35Å	1.41Å
N2	HN2	sing	0.97Å	1.00Å
C3	N4	sing	1.35Å	1.41Å
C3	O8	doub	1.22Å	1.22Å
N4	C5	sing	1.46Å	1.50Å
N4	HN4	sing	0.97Å	1.00Å
C5	C6	sing	1.51Å	1.55Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	O7	sing	1.34Å	1.34Å
C6	O9	doub	1.21Å	1.21Å
O7	HO7	sing	0.97Å	0.95Å
C10	C11	sing	1.53Å	1.56Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.56Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C12	C13	sing	1.53Å	1.56Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.55Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	C10	110.4°	109.5°
N2	C1	C14	112.3°	109.5°
N2	C1	H1	106.9°	109.4°
C1	N2	C3	127.1°	120.0°
C1	N2	HN2	116.5°	120.0°
C10	C1	C14	109.4°	109.5°
C10	C1	H1	109.9°	109.5°
C1	C10	C11	112.4°	109.5°
C1	C10	H101	107.8°	109.5°
C1	C10	H102	108.5°	109.5°
C14	C1	H1	107.9°	109.4°
C1	C14	C13	111.5°	109.5°
C1	C14	H141	108.3°	109.4°
C1	C14	H142	108.8°	109.5°
C3	N2	HN2	116.5°	119.9°
N2	C3	N4	115.4°	120.0°
N2	C3	O8	123.1°	120.0°
N4	C3	O8	121.4°	120.0°
C3	N4	C5	123.7°	120.0°
C3	N4	HN4	118.1°	120.0°
C5	N4	HN4	118.2°	120.0°
N4	C5	C6	108.9°	109.5°
N4	C5	H51	109.8°	109.5°
N4	C5	H52	109.7°	109.5°
C6	C5	H51	109.8°	109.5°
C6	C5	H52	109.7°	109.5°
C5	C6	O7	113.2°	120.1°
C5	C6	O9	125.0°	120.0°
H51	C5	H52	109.0°	109.4°
O7	C6	O9	121.8°	120.0°
C6	O7	HO7	109.5°	120.0°
C11	C10	H101	107.9°	109.5°
C11	C10	H102	108.5°	109.4°
C10	C11	C12	111.4°	109.5°
C10	C11	H111	108.4°	109.4°
C10	C11	H112	108.8°	109.5°
H101	C10	H102	111.8°	109.4°
C12	C11	H111	108.4°	109.5°
C12	C11	H112	108.9°	109.5°
C11	C12	C13	111.2°	109.5°
C11	C12	H121	108.5°	109.5°
C11	C12	H122	108.9°	109.5°
H111	C11	H112	111.0°	109.5°
C13	C12	H121	108.5°	109.4°
C13	C12	H122	108.9°	109.4°
C12	C13	C14	111.2°	109.5°
C12	C13	H131	108.5°	109.4°
C12	C13	H132	108.9°	109.5°
H121	C12	H122	110.9°	109.5°
C14	C13	H131	108.5°	109.4°
C14	C13	H132	108.9°	109.5°
C13	C14	H141	108.3°	109.4°
C13	C14	H142	108.8°	109.5°
H131	C13	H132	110.9°	109.5°
H141	C14	H142	111.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	C10	C14	124.1°	120.0°
N2	C1	C10	H1	117.6°	120.0°
N2	C1	C14	H1	117.5°	120.0°
C1	N2	C3	HN2	180.0°	180.0°
C1	N2	C3	N4	179.4°	180.0°
C1	N2	C3	O8	1.6°	0.1°
N2	C1	C10	C11	179.9°	180.0°
N2	C1	C10	H101	61.2°	59.9°
N2	C1	C10	H102	60.1°	60.0°
N2	C1	C14	C13	179.8°	180.0°
N2	C1	C14	H141	61.1°	60.1°
N2	C1	C14	H142	59.8°	60.0°
C10	C1	C14	H1	119.6°	120.0°
C10	C1	N2	C3	151.1°	155.0°
C10	C1	N2	HN2	28.9°	25.0°
C1	C10	C11	H101	118.7°	120.1°
C1	C10	C11	H102	120.0°	120.0°
C1	C10	H101	H102	119.2°	120.0°
C1	C10	C11	C12	54.8°	60.0°
C1	C10	C11	H111	174.0°	60.0°
C1	C10	C11	H112	65.2°	180.0°
C10	C1	C14	C13	56.9°	59.9°
C10	C1	C14	H141	176.0°	60.0°
C10	C1	C14	H142	63.1°	180.0°
C14	C1	N2	C3	28.7°	84.9°
C14	C1	N2	HN2	151.3°	95.0°
C14	C1	C10	C11	55.9°	60.0°
C14	C1	C10	H101	62.9°	180.0°
C14	C1	C10	H102	175.9°	60.0°
C1	C14	C13	C12	57.2°	60.0°
C1	C14	C13	H141	119.1°	119.9°
C1	C14	C13	H142	120.0°	120.0°
C1	C14	C13	H131	176.4°	60.0°
C1	C14	C13	H132	62.8°	180.0°
C1	C14	H141	H142	119.5°	120.0°
H1	C1	N2	C3	89.4°	35.0°
H1	C1	N2	HN2	90.6°	145.0°
H1	C1	C10	C11	62.4°	60.0°
H1	C1	C10	H101	178.8°	60.0°
H1	C1	C10	H102	57.6°	180.0°
H1	C1	C14	C13	62.7°	60.1°
H1	C1	C14	H141	56.5°	180.0°
H1	C1	C14	H142	177.4°	60.0°
N2	C3	N4	O8	177.9°	179.9°
N2	C3	N4	C5	179.0°	180.0°
N2	C3	N4	HN4	1.0°	0.0°
HN2	N2	C3	N4	0.6°	0.1°
HN2	N2	C3	O8	178.4°	180.0°
C3	N4	C5	HN4	180.0°	180.0°
C3	N4	C5	C6	177.7°	180.0°
C3	N4	C5	H51	57.5°	60.0°
C3	N4	C5	H52	62.3°	60.0°
O8	C3	N4	C5	1.1°	0.1°
O8	C3	N4	HN4	178.9°	179.9°
N4	C5	C6	H51	120.2°	120.0°
N4	C5	C6	H52	120.0°	120.0°
N4	C5	H51	H52	120.2°	120.0°
N4	C5	C6	O7	165.7°	180.0°
N4	C5	C6	O9	15.0°	0.0°
HN4	N4	C5	C6	2.3°	0.0°
HN4	N4	C5	H51	122.5°	120.0°
HN4	N4	C5	H52	117.7°	120.0°
C6	C5	H51	H52	120.1°	120.0°
C5	C6	O7	O9	179.3°	180.0°
C5	C6	O7	HO7	179.3°	180.0°
H51	C5	C6	O7	74.0°	60.0°
H51	C5	C6	O9	105.2°	120.0°
H52	C5	C6	O7	45.7°	59.9°
H52	C5	C6	O9	135.0°	120.0°
O9	C6	O7	HO7	0.0°	0.0°
C11	C10	H101	H102	119.2°	119.9°
C10	C11	C12	H111	119.2°	120.0°
C10	C11	C12	H112	120.0°	120.0°
C10	C11	H111	H112	119.5°	120.0°
C10	C11	C12	C13	53.4°	60.0°
C10	C11	C12	H121	65.9°	180.0°
C10	C11	C12	H122	173.4°	60.0°
H101	C10	C11	C12	63.9°	180.0°
H101	C10	C11	H111	55.2°	60.0°
H101	C10	C11	H112	176.1°	60.0°
H102	C10	C11	C12	174.8°	60.0°
H102	C10	C11	H111	66.0°	180.0°
H102	C10	C11	H112	54.8°	60.0°
C12	C11	H111	H112	119.5°	120.0°
C11	C12	C13	H121	119.3°	120.0°
C11	C12	C13	H122	120.0°	120.0°
C11	C12	H121	H122	119.5°	120.1°
C11	C12	C13	C14	54.8°	60.0°
C11	C12	C13	H131	174.1°	59.9°
C11	C12	C13	H132	65.2°	180.0°
H111	C11	C12	C13	172.6°	60.0°
H111	C11	C12	H121	53.3°	60.0°
H111	C11	C12	H122	67.4°	179.9°
H112	C11	C12	C13	66.6°	180.0°
H112	C11	C12	H121	174.1°	60.0°
H112	C11	C12	H122	53.4°	60.0°
C13	C12	H121	H122	119.5°	119.9°
C12	C13	C14	H131	119.2°	120.0°
C12	C13	C14	H132	120.0°	120.1°
C12	C13	H131	H132	119.5°	120.0°
C12	C13	C14	H141	176.3°	60.0°
C12	C13	C14	H142	62.8°	180.0°
H121	C12	C13	C14	64.5°	180.0°
H121	C12	C13	H131	54.8°	60.1°
H121	C12	C13	H132	175.5°	59.9°
H122	C12	C13	C14	174.8°	60.0°
H122	C12	C13	H131	65.9°	180.0°
H122	C12	C13	H132	54.8°	60.0°
C14	C13	H131	H132	119.6°	120.0°
C13	C14	H141	H142	119.4°	120.1°
H131	C13	C14	H141	64.4°	179.9°
H131	C13	C14	H142	56.4°	60.0°
H132	C13	C14	H141	56.3°	60.1°
H132	C13	C14	H142	177.2°	60.0°

Definition date:	2005-04-21
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1ZD2