54U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.38Å	1.41Å	Aromatic
C11	C12	sing	1.39Å	1.42Å	Aromatic
C10	C09	sing	1.39Å	1.38Å	Aromatic
C07	C08	sing	1.53Å	1.51Å
C07	N06	sing	1.47Å	1.43Å
O15	C12	sing	1.36Å	1.42Å
C12	C13	doub	1.39Å	1.39Å	Aromatic
C08	N03	sing	1.47Å	1.41Å
C09	N06	sing	1.40Å	1.45Å
C09	C14	doub	1.39Å	1.44Å	Aromatic
C01	C02	sing	1.51Å	1.50Å
N06	C05	sing	1.47Å	1.45Å
N03	C02	sing	1.35Å	1.42Å
N03	C04	sing	1.47Å	1.41Å
C02	O16	doub	1.21Å	1.20Å
C13	C14	sing	1.38Å	1.41Å	Aromatic
C05	C04	sing	1.53Å	1.53Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.09Å	1.10Å
C05	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
O15	H14	sing	0.97Å	0.95Å
C04	H15	sing	1.09Å	1.10Å
C05	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	119.8°	120.0°
C11	C10	C09	120.2°	120.0°
C11	C10	H1	119.9°	120.0°
C10	C11	H12	120.1°	120.1°
C11	C12	O15	119.8°	120.0°
C11	C12	C13	120.1°	120.1°
C12	C11	H12	120.1°	120.0°
C10	C09	N06	119.5°	120.0°
C10	C09	C14	120.1°	120.0°
C09	C10	H1	119.9°	120.0°
C08	C07	N06	108.5°	109.4°
C07	C08	N03	113.6°	108.7°
C08	C07	H8	109.7°	109.4°
C08	C07	H9	109.7°	109.5°
C07	C08	H10	108.4°	109.6°
C07	C08	H11	108.4°	109.6°
C07	N06	C09	117.7°	111.0°
C07	N06	C05	111.5°	111.2°
N06	C07	H8	109.7°	109.6°
N06	C07	H9	109.7°	109.3°
O15	C12	C13	120.1°	120.0°
C12	O15	H14	109.5°	114.0°
C12	C13	C14	120.1°	120.0°
C12	C13	H2	120.0°	120.0°
C08	N03	C02	119.0°	120.9°
C08	N03	C04	118.7°	118.3°
N03	C08	H10	108.4°	109.8°
N03	C08	H11	108.5°	109.3°
N06	C09	C14	120.4°	120.0°
C09	N06	C05	118.7°	111.0°
C09	C14	C13	119.7°	119.9°
C09	C14	H13	120.2°	120.1°
C01	C02	N03	119.3°	120.0°
C01	C02	O16	120.2°	120.0°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.5°	109.5°
N06	C05	C04	117.3°	109.3°
N06	C05	H7	107.5°	109.4°
N06	C05	H16	107.5°	109.5°
C02	N03	C04	122.3°	120.9°
N03	C02	O16	120.4°	120.0°
N03	C04	C05	118.3°	108.5°
N03	C04	H6	107.2°	109.7°
N03	C04	H15	107.2°	109.7°
C14	C13	H2	120.0°	120.0°
C13	C14	H13	120.1°	120.0°
C05	C04	H6	107.2°	109.6°
C04	C05	H7	107.5°	109.5°
C05	C04	H15	107.2°	109.7°
C04	C05	H16	107.5°	109.5°
H3	C01	H4	109.4°	109.5°
H3	C01	H5	109.5°	109.4°
H4	C01	H5	109.5°	109.4°
H6	C04	H15	109.5°	109.7°
H7	C05	H16	109.4°	109.5°
H8	C07	H9	109.5°	109.6°
H10	C08	H11	109.4°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H12	180.0°	180.0°
C11	C10	C09	H1	180.0°	179.7°
C10	C11	C12	O15	179.9°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C11	C10	C09	N06	179.5°	179.7°
C11	C10	C09	C14	0.2°	0.3°
C12	C11	C10	C09	0.1°	0.1°
C11	C12	O15	C13	179.8°	180.0°
C11	C12	C13	C14	0.1°	0.2°
C12	C11	C10	H1	179.9°	179.7°
C11	C12	C13	H2	180.0°	179.7°
C11	C12	O15	H14	180.0°	90.0°
C10	C09	N06	C07	16.7°	55.8°
C10	C09	N06	C14	179.3°	180.0°
C10	C09	N06	C05	156.2°	180.0°
C10	C09	C14	C13	0.2°	0.6°
C09	C10	C11	H12	179.9°	180.0°
C10	C09	C14	H13	179.8°	179.9°
C08	C07	N06	H8	119.8°	120.0°
C08	C07	N06	H9	119.9°	119.9°
C07	C08	N03	H10	120.6°	119.9°
C07	C08	N03	H11	120.6°	119.7°
C08	C07	N06	C09	157.3°	172.9°
C08	C07	N06	C05	60.5°	63.0°
C07	C08	N03	C02	152.1°	128.9°
C07	C08	N03	C04	29.8°	50.9°
C08	C07	H8	H9	120.5°	120.1°
C07	C08	H10	H11	118.1°	120.5°
N06	C07	C08	N03	61.3°	53.6°
C07	N06	C09	C05	139.5°	124.3°
C07	N06	C09	C14	162.6°	124.3°
C07	N06	C05	C04	31.6°	63.1°
C07	N06	C05	H7	89.6°	176.9°
N06	C07	H8	H9	120.4°	119.9°
N06	C07	C08	H10	59.3°	173.6°
N06	C07	C08	H11	178.0°	65.9°
C07	N06	C05	H16	152.7°	56.9°
O15	C12	C13	C14	179.9°	179.8°
O15	C12	C13	H2	0.1°	0.3°
O15	C12	C11	H12	0.1°	0.0°
C12	C13	C14	C09	0.1°	0.5°
C12	C13	C14	H2	180.0°	179.5°
C13	C12	C11	H12	179.9°	180.0°
C12	C13	C14	H13	179.9°	180.0°
C13	C12	O15	H14	0.2°	90.0°
C08	N03	C02	C01	1.0°	0.2°
C08	N03	C02	C04	178.0°	179.8°
C08	N03	C02	O16	179.4°	179.7°
C08	N03	C04	C05	0.3°	51.0°
C08	N03	C04	H6	121.5°	68.8°
N03	C08	C07	H8	58.5°	173.8°
N03	C08	C07	H9	178.8°	66.1°
N03	C08	H10	H11	118.1°	120.2°
C08	N03	C04	H15	121.0°	170.8°
N06	C09	C14	C13	179.5°	179.5°
C09	N06	C05	C04	173.4°	172.7°
N06	C09	C10	H1	0.5°	0.0°
C09	N06	C05	H7	52.2°	52.8°
C09	N06	C07	H8	82.9°	52.8°
C09	N06	C07	H9	37.4°	67.2°
N06	C09	C14	H13	0.5°	0.1°
C09	N06	C05	H16	65.5°	67.2°
C14	C09	N06	C05	23.2°	0.0°
C09	C14	C13	H13	180.0°	179.5°
C14	C09	C10	H1	179.8°	180.0°
C09	C14	C13	H2	179.9°	180.0°
C01	C02	N03	O16	179.6°	179.9°
C01	C02	N03	C04	179.0°	180.0°
C02	C01	H3	H4	120.0°	120.0°
C02	C01	H3	H5	120.0°	120.0°
C02	C01	H4	H5	120.0°	120.0°
N06	C05	C04	N03	0.1°	53.9°
N06	C05	C04	H7	121.1°	119.9°
N06	C05	C04	H16	121.1°	120.0°
N06	C05	C04	H6	121.2°	65.9°
N06	C05	H7	H16	116.4°	120.1°
C05	N06	C07	H8	59.3°	177.0°
C05	N06	C07	H9	179.6°	56.9°
N06	C05	C04	H15	121.3°	173.6°
C02	N03	C04	C05	177.8°	128.8°
N03	C02	C01	H3	179.6°	180.0°
N03	C02	C01	H4	60.4°	60.0°
N03	C02	C01	H5	59.6°	60.0°
C02	N03	C04	H6	56.5°	111.4°
C02	N03	C08	H10	87.2°	9.0°
C02	N03	C08	H11	31.5°	111.4°
C02	N03	C04	H15	61.0°	9.0°
C04	N03	C02	O16	1.4°	0.1°
N03	C04	C05	H6	121.2°	119.8°
N03	C04	C05	H15	121.3°	119.8°
N03	C04	H6	H15	116.0°	120.5°
N03	C04	C05	H7	121.1°	173.8°
C04	N03	C08	H10	90.9°	170.8°
C04	N03	C08	H11	150.4°	68.8°
N03	C04	C05	H16	121.2°	66.2°
O16	C02	C01	H3	0.0°	0.0°
O16	C02	C01	H4	120.0°	120.0°
O16	C02	C01	H5	120.0°	120.0°
C05	C04	H6	H15	116.0°	120.5°
C04	C05	H7	H16	116.4°	120.1°
H1	C10	C11	H12	0.1°	0.3°
H2	C13	C14	H13	0.1°	0.5°
H3	C01	H4	H5	120.0°	119.9°
H6	C04	C05	H7	117.7°	54.0°
H6	C04	C05	H16	0.0°	174.1°
H7	C05	C04	H15	0.2°	66.5°
H8	C07	C08	H10	179.1°	66.3°
H8	C07	C08	H11	62.1°	54.3°
H9	C07	C08	H10	60.6°	53.9°
H9	C07	C08	H11	58.2°	174.4°
H15	C04	C05	H16	117.5°	53.6°

Release date:	2015-09-09
Definition date:	2015-07-24
Last modified:	2015-09-04
Release status:	REL
Processing site:	RCSB
Derived from:	5CUA