C9K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C1	sing	1.47Å	1.47Å
C1B	C1	sing	1.53Å	1.49Å
C1	C2	sing	1.53Å	1.54Å
C2	N2	sing	1.47Å	1.44Å
N2	C3	sing	1.47Å	1.43Å
O	C4	sing	1.43Å	1.16Å
C3	C4	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
N2	H2	sing	1.01Å	1.00Å
N	H4	sing	1.01Å	1.00Å
N	H5	sing	1.01Å	1.00Å
C1B	HB3	sing	1.09Å	1.10Å
C1B	HB2	sing	1.09Å	1.10Å
C1B	HB1	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
O	H	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C1	C1B	111.6°	109.5°
N	C1	C2	107.4°	109.5°
N	C1	H1	109.2°	109.5°
C1	N	H4	109.5°	111.0°
C1	N	H5	109.5°	111.0°
C1B	C1	C2	111.1°	109.4°
C1B	C1	H1	109.1°	109.5°
C1	C1B	HB3	109.5°	109.5°
C1	C1B	HB2	109.4°	109.5°
C1	C1B	HB1	109.5°	109.5°
C1	C2	N2	113.6°	109.4°
C2	C1	H1	108.4°	109.5°
C1	C2	H22	108.4°	109.5°
C1	C2	H21	108.4°	109.5°
C2	N2	C3	111.3°	111.0°
N2	C2	H22	108.4°	109.4°
N2	C2	H21	108.4°	109.5°
C2	N2	H2	109.0°	111.0°
N2	C3	C4	102.0°	109.5°
N2	C3	H31	111.3°	109.5°
N2	C3	H32	111.3°	109.5°
C3	N2	H2	109.0°	111.0°
O	C4	C3	130.1°	109.5°
O	C4	H41	104.1°	109.5°
O	C4	H42	104.1°	109.5°
C4	O	H	109.5°	114.0°
C4	C3	H31	111.3°	109.5°
C4	C3	H32	111.3°	109.5°
C3	C4	H41	104.1°	109.5°
C3	C4	H42	104.1°	109.4°
H22	C2	H21	109.4°	109.5°
H31	C3	H32	109.5°	109.5°
H4	N	H5	109.4°	111.0°
HB3	C1B	HB2	109.4°	109.4°
HB3	C1B	HB1	109.4°	109.4°
HB2	C1B	HB1	109.5°	109.4°
H41	C4	H42	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C1	C1B	C2	119.9°	120.0°
N	C1	C1B	H1	120.7°	120.0°
N	C1	C2	H1	117.8°	120.0°
N	C1	C2	N2	51.9°	55.0°
N	C1	C2	H22	172.6°	175.0°
N	C1	C2	H21	68.7°	65.0°
C1	N	H4	H5	120.0°	124.0°
N	C1	C1B	HB3	180.0°	180.0°
N	C1	C1B	HB2	60.0°	60.0°
N	C1	C1B	HB1	60.0°	60.0°
C1B	C1	C2	H1	119.8°	120.0°
C1B	C1	C2	N2	174.3°	175.0°
C1B	C1	C2	H22	65.1°	65.0°
C1B	C1	C2	H21	53.7°	55.0°
C1B	C1	N	H4	180.0°	176.1°
C1B	C1	N	H5	60.0°	60.0°
C1	C1B	HB3	HB2	120.0°	120.0°
C1	C1B	HB3	HB1	120.0°	120.1°
C1	C1B	HB2	HB1	120.0°	120.0°
C1	C2	N2	H22	120.6°	120.0°
C1	C2	N2	H21	120.6°	120.0°
C1	C2	N2	C3	178.1°	180.0°
C1	C2	H22	H21	118.1°	120.0°
C1	C2	N2	H2	57.8°	56.1°
C2	C1	N	H4	57.9°	63.9°
C2	C1	N	H5	62.1°	60.0°
C2	C1	C1B	HB3	60.1°	60.0°
C2	C1	C1B	HB2	179.9°	180.0°
C2	C1	C1B	HB1	59.9°	60.0°
C2	N2	C3	H2	120.3°	123.9°
C2	N2	C3	C4	150.3°	180.0°
N2	C2	C1	H1	65.9°	65.0°
N2	C2	H22	H21	118.1°	120.0°
C2	N2	C3	H31	31.5°	60.0°
C2	N2	C3	H32	90.9°	60.0°
N2	C3	C4	O	68.4°	65.0°
N2	C3	C4	H31	118.8°	120.0°
N2	C3	C4	H32	118.8°	120.0°
C3	N2	C2	H22	61.2°	60.0°
C3	N2	C2	H21	57.5°	60.0°
N2	C3	H31	H32	123.4°	120.0°
N2	C3	C4	H41	54.3°	175.0°
N2	C3	C4	H42	168.9°	55.0°
O	C4	C3	H41	122.7°	120.0°
O	C4	C3	H42	122.7°	120.0°
O	C4	C3	H31	50.4°	55.0°
O	C4	C3	H32	172.9°	175.0°
O	C4	H41	H42	110.8°	120.0°
C4	C3	H31	H32	123.5°	120.0°
C4	C3	N2	H2	89.4°	56.1°
C3	C4	H41	H42	110.8°	120.0°
C3	C4	O	H	180.0°	180.0°
H1	C1	C2	H22	54.7°	55.0°
H1	C1	C2	H21	173.5°	175.0°
H1	C1	N	H4	59.4°	56.0°
H1	C1	N	H5	179.3°	180.0°
H1	C1	C1B	HB3	59.3°	60.0°
H1	C1	C1B	HB2	60.7°	60.0°
H1	C1	C1B	HB1	179.3°	180.0°
H22	C2	N2	H2	178.5°	176.0°
H21	C2	N2	H2	62.8°	63.9°
H31	C3	N2	H2	151.8°	176.0°
H31	C3	C4	H41	173.1°	65.0°
H31	C3	C4	H42	72.3°	175.0°
H32	C3	N2	H2	29.4°	64.0°
H32	C3	C4	H41	64.5°	55.0°
H32	C3	C4	H42	50.2°	65.0°
HB3	C1B	HB2	HB1	120.0°	119.9°
H41	C4	O	H	57.3°	60.0°
H42	C4	O	H	57.3°	60.0°

Release date:	2018-07-18
Definition date:	2017-11-23
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	6EVH