YH3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N08	C02	sing	1.37Å	1.41Å
C02	N03	doub	1.31Å	1.33Å
C02	N01	sing	1.36Å	1.34Å
N03	C04	sing	1.34Å	1.35Å
N01	C06	sing	1.35Å	1.33Å
C04	N09	sing	1.37Å	1.36Å	Aromatic
C04	C05	doub	1.40Å	1.38Å	Aromatic
N09	C10	sing	1.37Å	1.33Å	Aromatic
C06	C05	sing	1.41Å	1.41Å
C06	O07	doub	1.22Å	1.36Å
C05	N11	sing	1.36Å	1.37Å	Aromatic
C10	N11	doub	1.31Å	1.34Å	Aromatic
C10	S12	sing	1.76Å	1.74Å
S12	C13	sing	1.81Å	1.80Å
C13	C14	sing	1.51Å	1.52Å
C21	C20	doub	1.38Å	1.39Å	Aromatic
C21	C15	sing	1.40Å	1.39Å	Aromatic
C20	C19	sing	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.47Å	1.51Å
C14	O16	doub	1.21Å	1.22Å
C15	C17	doub	1.40Å	1.40Å	Aromatic
C19	C18	doub	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.40Å	Aromatic
C18	C22	sing	1.51Å	1.50Å
C17	H1	sing	1.08Å	1.08Å
C22	H2	sing	1.09Å	1.10Å
C22	H3	sing	1.09Å	1.10Å
C22	H4	sing	1.09Å	1.10Å
C19	H5	sing	1.08Å	1.08Å
C20	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
N09	H10	sing	0.97Å	1.00Å
N08	H12	sing	0.97Å	1.00Å
N08	H13	sing	0.97Å	1.00Å
N01	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N08	C02	N03	118.5°	119.1°
N08	C02	N01	118.2°	119.1°
C02	N08	H12	120.0°	120.0°
C02	N08	H13	120.0°	120.0°
N03	C02	N01	123.4°	121.9°
C02	N03	C04	117.4°	121.1°
C02	N01	C06	121.4°	120.3°
C02	N01	H14	119.3°	119.8°
N03	C04	N09	130.2°	134.1°
N03	C04	C05	121.5°	119.7°
N01	C06	C05	117.6°	118.4°
N01	C06	O07	121.0°	120.8°
C06	N01	H14	119.3°	119.8°
N09	C04	C05	108.2°	106.3°
C04	N09	C10	106.9°	107.5°
C04	N09	H10	126.6°	126.2°
C04	C05	C06	118.6°	118.7°
C04	C05	N11	107.1°	107.4°
N09	C10	N11	111.2°	109.6°
N09	C10	S12	121.1°	125.2°
C10	N09	H10	126.5°	126.3°
C05	C06	O07	121.4°	120.8°
C06	C05	N11	134.3°	134.0°
C05	N11	C10	106.6°	109.3°
N11	C10	S12	127.6°	125.2°
C10	S12	C13	105.7°	100.0°
S12	C13	C14	125.4°	109.4°
S12	C13	H8	105.4°	109.5°
S12	C13	H9	105.4°	109.5°
C13	C14	C15	123.5°	120.0°
C13	C14	O16	119.8°	120.0°
C14	C13	H8	105.4°	109.5°
C14	C13	H9	105.3°	109.5°
C20	C21	C15	120.8°	119.8°
C21	C20	C19	120.7°	120.2°
C21	C20	H6	119.7°	119.9°
C20	C21	H7	119.6°	120.1°
C21	C15	C14	122.5°	120.2°
C21	C15	C17	117.7°	119.7°
C15	C21	H7	119.6°	120.1°
C20	C19	C18	119.5°	120.4°
C20	C19	H5	120.2°	119.8°
C19	C20	H6	119.7°	119.9°
C15	C14	O16	116.7°	120.0°
C14	C15	C17	119.7°	120.2°
C15	C17	C18	121.6°	119.9°
C15	C17	H1	119.2°	120.1°
C19	C18	C17	119.6°	120.1°
C19	C18	C22	119.4°	119.9°
C18	C19	H5	120.2°	119.8°
C17	C18	C22	120.9°	119.9°
C18	C17	H1	119.2°	120.1°
C18	C22	H2	109.5°	109.5°
C18	C22	H3	109.5°	109.5°
C18	C22	H4	109.4°	109.5°
H2	C22	H3	109.5°	109.4°
H2	C22	H4	109.5°	109.5°
H3	C22	H4	109.5°	109.5°
H8	C13	H9	109.5°	109.5°
H12	N08	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N08	C02	N03	N01	179.8°	180.0°
N08	C02	N03	C04	178.4°	180.0°
N08	C02	N01	C06	179.8°	180.0°
C02	N08	H12	H13	180.0°	180.0°
N08	C02	N01	H14	0.2°	0.0°
N03	C02	N01	C06	0.0°	0.0°
C02	N03	C04	N09	179.1°	180.0°
C02	N03	C04	C05	1.8°	0.0°
N03	C02	N08	H12	0.0°	0.0°
N03	C02	N08	H13	180.0°	180.0°
N03	C02	N01	H14	180.0°	180.0°
N01	C02	N03	C04	1.5°	0.0°
C02	N01	C06	H14	180.0°	180.0°
C02	N01	C06	C05	1.1°	0.0°
C02	N01	C06	O07	180.0°	180.0°
N01	C02	N08	H12	179.8°	180.0°
N01	C02	N08	H13	0.2°	0.0°
N03	C04	N09	C05	179.2°	180.0°
N03	C04	N09	C10	179.4°	180.0°
N03	C04	C05	C06	0.7°	0.0°
N03	C04	C05	N11	179.6°	180.0°
N03	C04	N09	H10	0.5°	0.0°
N01	C06	C05	C04	0.7°	0.0°
N01	C06	C05	O07	178.9°	180.0°
N01	C06	C05	N11	178.8°	180.0°
C04	N09	C10	H10	180.0°	180.0°
N09	C04	C05	C06	180.0°	180.0°
N09	C04	C05	N11	0.3°	0.0°
C04	N09	C10	N11	0.0°	0.0°
C04	N09	C10	S12	179.0°	179.7°
C05	C04	N09	C10	0.2°	0.0°
C04	C05	C06	N11	179.5°	180.0°
C04	C05	C06	O07	179.6°	180.0°
C04	C05	N11	C10	0.3°	0.0°
C05	C04	N09	H10	179.8°	180.0°
N09	C10	N11	C05	0.1°	0.0°
N09	C10	N11	S12	178.9°	179.8°
N09	C10	S12	C13	39.5°	179.7°
C06	C05	N11	C10	179.9°	180.0°
C05	C06	N01	H14	178.9°	180.0°
O07	C06	C05	N11	0.0°	0.0°
O07	C06	N01	H14	0.0°	0.0°
C05	N11	C10	S12	179.1°	179.7°
N11	C10	S12	C13	139.3°	0.0°
N11	C10	N09	H10	179.9°	180.0°
C10	S12	C13	C14	41.3°	180.0°
C10	S12	C13	H8	163.4°	60.0°
C10	S12	C13	H9	80.9°	60.0°
S12	C10	N09	H10	1.1°	0.3°
S12	C13	C14	H8	122.1°	120.0°
S12	C13	C14	H9	122.1°	120.0°
S12	C13	C14	C15	177.9°	180.0°
S12	C13	C14	O16	2.7°	0.3°
S12	C13	H8	H9	112.9°	120.0°
C13	C14	C15	C21	6.6°	0.0°
C13	C14	C15	O16	179.4°	179.7°
C13	C14	C15	C17	173.9°	179.7°
C14	C13	H8	H9	112.8°	120.0°
C20	C21	C15	H7	180.0°	179.6°
C21	C20	C19	H6	180.0°	179.8°
C20	C21	C15	C14	179.8°	179.8°
C20	C21	C15	C17	0.3°	0.5°
C21	C20	C19	C18	0.3°	0.2°
C21	C20	C19	H5	179.8°	179.8°
C15	C21	C20	C19	0.2°	0.4°
C21	C15	C14	C17	179.5°	179.7°
C21	C15	C14	O16	172.8°	179.7°
C21	C15	C17	C18	0.4°	0.3°
C21	C15	C17	H1	179.6°	179.8°
C15	C21	C20	H6	179.8°	179.7°
C20	C19	C18	H5	180.0°	180.0°
C20	C19	C18	C17	0.4°	0.0°
C20	C19	C18	C22	179.7°	180.0°
C19	C20	C21	H7	179.8°	180.0°
C14	C15	C17	C18	179.9°	180.0°
C14	C15	C17	H1	0.1°	0.1°
C14	C15	C21	H7	0.2°	0.2°
C15	C14	C13	H8	55.8°	60.0°
C15	C14	C13	H9	59.9°	60.0°
O16	C14	C15	C17	6.7°	0.0°
O16	C14	C13	H8	124.8°	120.3°
O16	C14	C13	H9	119.4°	119.7°
C15	C17	C18	C19	0.4°	0.0°
C15	C17	C18	H1	180.0°	179.9°
C15	C17	C18	C22	179.6°	180.0°
C17	C15	C21	H7	179.7°	179.9°
C19	C18	C17	C22	180.0°	180.0°
C19	C18	C17	H1	179.6°	180.0°
C19	C18	C22	H2	90.0°	90.0°
C19	C18	C22	H3	150.0°	30.0°
C19	C18	C22	H4	30.0°	150.0°
C18	C19	C20	H6	179.7°	180.0°
C17	C18	C22	H2	90.0°	90.0°
C17	C18	C22	H3	30.0°	150.1°
C17	C18	C22	H4	150.0°	30.0°
C17	C18	C19	H5	179.7°	180.0°
C22	C18	C17	H1	0.4°	0.1°
C18	C22	H2	H3	120.0°	120.0°
C18	C22	H2	H4	120.0°	120.0°
C18	C22	H3	H4	120.0°	120.0°
C22	C18	C19	H5	0.3°	0.0°
H2	C22	H3	H4	120.0°	120.0°
H5	C19	C20	H6	0.3°	0.1°
H6	C20	C21	H7	0.2°	0.1°

Release date:	2014-04-02
Definition date:	2013-09-04
Last modified:	2014-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	4M5K