YH4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N08	C02	sing	1.37Å	1.41Å
N03	C02	doub	1.31Å	1.34Å
N03	C04	sing	1.35Å	1.35Å
C02	N01	sing	1.36Å	1.34Å
N01	C06	sing	1.35Å	1.33Å
C04	N09	sing	1.34Å	1.37Å	Aromatic
C04	C05	doub	1.40Å	1.39Å	Aromatic
N09	C10	doub	1.32Å	1.34Å	Aromatic
C06	C05	sing	1.40Å	1.41Å
C06	O07	doub	1.22Å	1.37Å
C05	N11	sing	1.39Å	1.38Å	Aromatic
C10	N11	sing	1.36Å	1.35Å	Aromatic
C10	S12	sing	1.76Å	1.73Å
C13	S12	sing	1.81Å	1.80Å
C13	C14	sing	1.51Å	1.50Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
C17	C15	sing	1.40Å	1.40Å	Aromatic
C19	C20	doub	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.47Å	1.50Å
C15	C21	doub	1.40Å	1.40Å	Aromatic
C20	C21	sing	1.38Å	1.40Å	Aromatic
C14	O16	doub	1.21Å	1.22Å
C21	C22	sing	1.51Å	1.51Å
C22	H1	sing	1.09Å	1.10Å
C22	H2	sing	1.09Å	1.10Å
C22	H3	sing	1.09Å	1.10Å
C20	H4	sing	1.08Å	1.08Å
C19	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
N11	H10	sing	0.97Å	1.00Å
N01	H11	sing	0.97Å	1.00Å
N08	H12	sing	0.97Å	1.00Å
N08	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N08	C02	N03	118.5°	119.0°
N08	C02	N01	118.0°	119.0°
C02	N08	H12	120.0°	120.0°
C02	N08	H13	120.0°	120.0°
C02	N03	C04	116.4°	121.0°
N03	C02	N01	123.5°	122.0°
N03	C04	N09	130.3°	133.6°
N03	C04	C05	123.1°	119.2°
C02	N01	C06	121.6°	120.2°
C02	N01	H11	119.2°	119.9°
N01	C06	C05	118.3°	118.5°
N01	C06	O07	120.4°	120.7°
C06	N01	H11	119.2°	119.9°
N09	C04	C05	106.6°	107.2°
C04	N09	C10	107.1°	110.0°
C04	C05	C06	117.1°	119.1°
C04	C05	N11	109.1°	106.3°
N09	C10	N11	112.4°	109.6°
N09	C10	S12	120.9°	125.2°
C05	C06	O07	121.3°	120.8°
C06	C05	N11	133.7°	134.5°
C05	N11	C10	104.8°	106.9°
C05	N11	H10	127.6°	126.6°
N11	C10	S12	126.7°	125.2°
C10	N11	H10	127.6°	126.6°
C10	S12	C13	104.5°	100.0°
S12	C13	C14	123.9°	109.5°
S12	C13	H8	105.7°	109.5°
S12	C13	H9	105.7°	109.5°
C13	C14	C15	119.9°	120.0°
C13	C14	O16	118.7°	120.0°
C14	C13	H8	105.8°	109.4°
C14	C13	H9	105.7°	109.5°
C17	C18	C19	120.1°	120.2°
C18	C17	C15	121.5°	119.8°
C17	C18	H6	120.0°	119.9°
C18	C17	H7	119.3°	120.1°
C18	C19	C20	119.4°	120.3°
C18	C19	H5	120.3°	119.8°
C19	C18	H6	120.0°	119.9°
C17	C15	C14	116.1°	120.2°
C17	C15	C21	118.2°	119.6°
C15	C17	H7	119.3°	120.1°
C19	C20	C21	121.0°	120.2°
C19	C20	H4	119.5°	119.8°
C20	C19	H5	120.3°	119.9°
C14	C15	C21	125.7°	120.2°
C15	C14	O16	121.5°	120.0°
C15	C21	C20	119.9°	119.9°
C15	C21	C22	124.5°	120.1°
C20	C21	C22	115.6°	120.1°
C21	C20	H4	119.5°	120.0°
C21	C22	H1	109.5°	109.5°
C21	C22	H2	109.5°	109.5°
C21	C22	H3	109.4°	109.5°
H1	C22	H2	109.5°	109.4°
H1	C22	H3	109.4°	109.5°
H2	C22	H3	109.5°	109.5°
H8	C13	H9	109.5°	109.5°
H12	N08	H13	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N08	C02	N03	N01	179.9°	179.9°
N08	C02	N03	C04	179.0°	180.0°
N08	C02	N01	C06	179.5°	180.0°
N08	C02	N01	H11	0.5°	0.0°
C02	N08	H12	H13	180.0°	180.0°
N03	C02	N01	C06	0.4°	0.1°
C02	N03	C04	N09	179.4°	179.8°
C02	N03	C04	C05	1.6°	0.1°
N03	C02	N01	H11	179.6°	179.9°
N03	C02	N08	H12	0.0°	179.9°
N03	C02	N08	H13	180.0°	0.1°
C04	N03	C02	N01	1.1°	0.1°
N03	C04	N09	C05	179.1°	179.7°
N03	C04	N09	C10	179.3°	180.0°
N03	C04	C05	C06	0.6°	0.0°
N03	C04	C05	N11	179.7°	180.0°
C02	N01	C06	H11	180.0°	180.0°
C02	N01	C06	C05	1.4°	0.1°
C02	N01	C06	O07	179.9°	180.0°
N01	C02	N08	H12	179.9°	0.0°
N01	C02	N08	H13	0.2°	180.0°
N01	C06	C05	C04	0.9°	0.1°
N01	C06	C05	O07	178.5°	179.9°
N01	C06	C05	N11	178.7°	180.0°
N09	C04	C05	C06	179.8°	179.7°
N09	C04	C05	N11	0.5°	0.2°
C04	N09	C10	N11	0.2°	0.4°
C04	N09	C10	S12	179.1°	179.9°
C05	C04	N09	C10	0.2°	0.3°
C04	C05	C06	N11	179.6°	179.9°
C04	C05	C06	O07	179.4°	180.0°
C04	C05	N11	C10	0.6°	0.0°
C04	C05	N11	H10	179.4°	179.9°
N09	C10	N11	C05	0.5°	0.2°
N09	C10	N11	S12	178.7°	179.8°
N09	C10	S12	C13	35.9°	0.3°
N09	C10	N11	H10	179.5°	179.7°
C06	C05	N11	C10	179.8°	179.9°
C06	C05	N11	H10	0.2°	0.0°
C05	C06	N01	H11	178.6°	180.0°
O07	C06	C05	N11	0.2°	0.0°
O07	C06	N01	H11	0.1°	0.0°
C05	N11	C10	H10	180.0°	179.9°
C05	N11	C10	S12	179.3°	180.0°
N11	C10	S12	C13	142.8°	180.0°
C10	S12	C13	C14	51.4°	180.0°
C10	S12	C13	H8	173.4°	60.0°
C10	S12	C13	H9	70.5°	60.0°
S12	C10	N11	H10	0.8°	0.0°
S12	C13	C14	H8	122.0°	120.0°
S12	C13	C14	H9	122.0°	120.0°
S12	C13	C14	C15	176.4°	179.8°
S12	C13	C14	O16	2.8°	0.0°
S12	C13	H8	H9	113.5°	120.0°
C13	C14	C15	C17	19.9°	5.8°
C13	C14	C15	O16	179.2°	179.8°
C13	C14	C15	C21	160.3°	174.5°
C14	C13	H8	H9	113.5°	120.0°
C17	C18	C19	H6	180.0°	179.5°
C18	C17	C15	H7	180.0°	179.5°
C17	C18	C19	C20	0.1°	0.2°
C18	C17	C15	C14	179.9°	179.8°
C18	C17	C15	C21	0.0°	0.5°
C17	C18	C19	H5	179.8°	179.8°
C19	C18	C17	C15	0.1°	0.5°
C18	C19	C20	H5	180.0°	180.0°
C18	C19	C20	C21	0.1°	0.1°
C18	C19	C20	H4	179.9°	180.0°
C19	C18	C17	H7	179.9°	180.0°
C17	C15	C14	C21	179.8°	179.7°
C17	C15	C21	C20	0.1°	0.3°
C17	C15	C14	O16	159.3°	174.0°
C17	C15	C21	C22	179.8°	179.7°
C15	C17	C18	H6	179.9°	180.0°
C19	C20	C21	C15	0.0°	0.0°
C19	C20	C21	H4	180.0°	179.9°
C19	C20	C21	C22	179.8°	180.0°
C20	C19	C18	H6	179.8°	179.7°
C14	C15	C21	C20	179.9°	180.0°
C14	C15	C21	C22	0.3°	0.0°
C14	C15	C17	H7	0.1°	0.2°
C15	C14	C13	H8	54.5°	60.3°
C15	C14	C13	H9	61.6°	59.8°
C15	C21	C20	C22	179.8°	180.0°
C21	C15	C14	O16	20.5°	5.7°
C15	C21	C22	H1	90.1°	83.4°
C15	C21	C22	H2	149.9°	156.6°
C15	C21	C22	H3	29.8°	36.6°
C15	C21	C20	H4	180.0°	180.0°
C21	C15	C17	H7	180.0°	179.9°
C20	C21	C22	H1	90.1°	96.6°
C20	C21	C22	H2	29.9°	23.4°
C20	C21	C22	H3	149.9°	143.4°
C21	C20	C19	H5	179.9°	179.9°
O16	C14	C13	H8	124.7°	120.0°
O16	C14	C13	H9	119.2°	120.0°
C21	C22	H1	H2	120.0°	120.0°
C21	C22	H1	H3	120.0°	120.0°
C21	C22	H2	H3	120.0°	120.0°
C22	C21	C20	H4	0.2°	0.0°
H1	C22	H2	H3	120.0°	120.0°
H4	C20	C19	H5	0.1°	0.0°
H5	C19	C18	H6	0.2°	0.3°
H6	C18	C17	H7	0.1°	0.5°

Release date:	2014-04-02
Definition date:	2013-09-04
Last modified:	2014-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	4M5L