U1B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C03	C04	sing	1.53Å	1.44Å
C03	C02	sing	1.53Å	1.47Å
C04	C05	sing	1.53Å	1.52Å
O01	C02	sing	1.43Å	1.45Å
C02	C18	sing	1.53Å	1.53Å
C05	N06	sing	1.47Å	1.56Å
C18	N06	sing	1.47Å	1.54Å
N06	C07	sing	1.40Å	1.45Å
O16	N15	doub	1.22Å	1.44Å
C07	C08	doub	1.39Å	1.40Å	Aromatic
C07	C14	sing	1.39Å	1.45Å	Aromatic
N15	O17	sing	1.22Å	1.23Å
N15	C14	sing	1.48Å	1.48Å
C08	C09	sing	1.40Å	1.38Å	Aromatic
C14	C13	doub	1.38Å	1.35Å	Aromatic
C09	C10	sing	1.47Å	1.53Å
C09	C12	doub	1.40Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.43Å	Aromatic
C10	O11	doub	1.21Å	1.19Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C02	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.09Å	1.10Å
C05	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.09Å	1.10Å
O01	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C04	C03	C02	108.6°	109.1°
C03	C04	C05	113.6°	109.3°
C04	C03	H4	109.7°	109.5°
C04	C03	H5	109.7°	109.6°
C03	C04	H6	108.4°	109.5°
C03	C04	H7	108.4°	109.4°
C03	C02	O01	109.9°	109.5°
C03	C02	C18	113.3°	109.3°
C03	C02	H3	107.9°	109.5°
C02	C03	H4	109.7°	109.6°
C02	C03	H5	109.7°	109.5°
C04	C05	N06	115.2°	109.5°
C05	C04	H6	108.4°	109.5°
C05	C04	H7	108.4°	109.6°
C04	C05	H8	108.0°	109.5°
C04	C05	H9	108.0°	109.5°
O01	C02	C18	110.1°	109.5°
O01	C02	H3	108.2°	109.5°
C02	O01	H14	109.5°	114.0°
C02	C18	N06	120.3°	109.5°
C18	C02	H3	107.2°	109.5°
C02	C18	H12	106.7°	109.5°
C02	C18	H13	106.7°	109.5°
C05	N06	C18	114.0°	111.2°
C05	N06	C07	116.3°	111.0°
N06	C05	H8	108.0°	109.4°
N06	C05	H9	108.0°	109.4°
C18	N06	C07	114.4°	111.0°
N06	C18	H12	106.7°	109.4°
N06	C18	H13	106.7°	109.5°
N06	C07	C08	118.1°	120.0°
N06	C07	C14	122.0°	120.0°
O16	N15	O17	120.8°	120.0°
O16	N15	C14	119.6°	120.0°
C08	C07	C14	119.9°	120.0°
C07	C08	C09	119.0°	119.8°
C07	C08	H10	120.5°	120.1°
C07	C14	N15	120.7°	119.9°
C07	C14	C13	120.3°	120.3°
O17	N15	C14	119.6°	120.0°
N15	C14	C13	119.0°	119.8°
C08	C09	C10	119.5°	120.1°
C08	C09	C12	121.6°	119.7°
C09	C08	H10	120.5°	120.1°
C14	C13	C12	120.0°	120.2°
C14	C13	H2	120.0°	119.9°
C10	C09	C12	118.9°	120.2°
C09	C10	O11	119.4°	120.0°
C09	C10	H1	120.3°	120.0°
C09	C12	C13	119.2°	120.0°
C09	C12	H11	120.4°	120.0°
C12	C13	H2	120.0°	119.9°
C13	C12	H11	120.4°	120.0°
O11	C10	H1	120.3°	120.0°
H4	C03	H5	109.5°	109.6°
H6	C04	H7	109.5°	109.5°
H8	C05	H9	109.5°	109.5°
H12	C18	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C04	C03	C02	H4	119.9°	119.8°
C04	C03	C02	H5	119.9°	119.9°
C03	C04	C05	H6	120.6°	120.0°
C03	C04	C05	H7	120.6°	119.9°
C04	C03	C02	O01	177.5°	62.3°
C04	C03	C02	C18	53.8°	57.6°
C03	C04	C05	N06	38.3°	59.2°
C04	C03	C02	H3	64.7°	177.6°
C04	C03	H4	H5	120.4°	120.2°
C03	C04	H6	H7	118.1°	120.0°
C03	C04	C05	H8	159.1°	60.8°
C03	C04	C05	H9	82.5°	179.2°
C02	C03	C04	C05	68.8°	57.6°
C03	C02	O01	C18	125.5°	119.8°
C03	C02	O01	H3	117.6°	120.1°
C03	C02	C18	H3	118.9°	119.9°
C03	C02	C18	N06	12.0°	59.2°
C02	C03	H4	H5	120.4°	120.2°
C02	C03	C04	H6	51.8°	177.6°
C02	C03	C04	H7	170.6°	62.4°
C03	C02	C18	H12	109.6°	179.2°
C03	C02	C18	H13	133.5°	60.8°
C03	C02	O01	H14	180.0°	60.2°
C04	C05	N06	H8	120.9°	120.0°
C04	C05	N06	H9	120.8°	120.1°
C04	C05	N06	C18	4.2°	61.7°
C04	C05	N06	C07	140.6°	174.2°
C05	C04	C03	H4	51.0°	62.3°
C05	C04	C03	H5	171.3°	177.6°
C05	C04	H6	H7	118.1°	120.2°
C04	C05	H8	H9	117.4°	120.0°
O01	C02	C18	H3	117.5°	120.1°
O01	C02	C18	N06	135.5°	60.8°
O01	C02	C03	H4	57.6°	177.8°
O01	C02	C03	H5	62.7°	57.6°
O01	C02	C18	H12	14.0°	59.2°
O01	C02	C18	H13	103.0°	179.2°
C02	C18	N06	C05	16.8°	61.7°
C02	C18	N06	H12	121.5°	120.0°
C02	C18	N06	H13	121.5°	120.0°
C02	C18	N06	C07	154.0°	174.2°
C18	C02	C03	H4	66.1°	62.2°
C18	C02	C03	H5	173.7°	177.6°
C02	C18	H12	H13	115.1°	120.0°
C18	C02	O01	H14	54.5°	180.0°
C05	N06	C18	C07	137.2°	124.1°
C05	N06	C07	C08	109.0°	63.9°
C05	N06	C07	C14	70.4°	116.3°
N06	C05	C04	H6	82.4°	179.1°
N06	C05	C04	H7	158.9°	60.7°
N06	C05	H8	H9	117.4°	119.9°
C05	N06	C18	H12	138.3°	178.3°
C05	N06	C18	H13	104.7°	58.3°
C18	N06	C07	C08	27.2°	60.3°
C18	N06	C07	C14	153.3°	119.5°
N06	C18	C02	H3	106.9°	179.1°
C18	N06	C05	H8	116.7°	58.3°
C18	N06	C05	H9	125.0°	178.2°
N06	C18	H12	H13	115.1°	119.9°
N06	C07	C08	C14	179.5°	179.8°
N06	C07	C14	N15	0.9°	0.2°
N06	C07	C08	C09	179.7°	180.0°
N06	C07	C14	C13	179.9°	179.7°
C07	N06	C05	H8	19.7°	65.8°
C07	N06	C05	H9	98.6°	54.1°
N06	C07	C08	H10	0.4°	0.2°
C07	N06	C18	H12	84.5°	54.2°
C07	N06	C18	H13	32.5°	65.8°
O16	N15	C14	C07	21.2°	0.0°
O16	N15	O17	C14	179.2°	180.0°
O16	N15	C14	C13	157.8°	180.0°
C08	C07	C14	N15	179.7°	180.0°
C07	C08	C09	H10	180.0°	179.8°
C08	C07	C14	C13	0.7°	0.1°
C07	C08	C09	C10	179.5°	180.0°
C07	C08	C09	C12	0.7°	0.5°
C07	C14	N15	O17	159.5°	180.0°
C07	C14	N15	C13	179.0°	179.9°
C14	C07	C08	C09	0.9°	0.2°
C07	C14	C13	C12	0.4°	0.0°
C07	C14	C13	H2	179.6°	179.7°
C14	C07	C08	H10	179.1°	180.0°
O17	N15	C14	C13	21.5°	0.1°
N15	C14	C13	C12	179.3°	179.9°
N15	C14	C13	H2	0.6°	0.3°
C08	C09	C10	C12	179.7°	179.4°
C08	C09	C12	C13	0.4°	0.6°
C08	C09	C10	O11	165.5°	180.0°
C08	C09	C10	H1	14.4°	0.3°
C08	C09	C12	H11	179.6°	179.5°
C14	C13	C12	C09	0.2°	0.3°
C14	C13	C12	H2	180.0°	179.7°
C14	C13	C12	H11	179.8°	179.7°
C10	C09	C12	C13	179.9°	180.0°
C09	C10	O11	H1	180.0°	179.6°
C10	C09	C08	H10	0.5°	0.3°
C10	C09	C12	H11	0.2°	0.0°
C09	C12	C13	H11	180.0°	180.0°
C12	C09	C10	O11	14.7°	0.5°
C12	C09	C10	H1	165.3°	179.1°
C09	C12	C13	H2	179.8°	180.0°
C12	C09	C08	H10	179.2°	179.7°
H2	C13	C12	H11	0.2°	0.1°
H3	C02	C03	H4	175.4°	57.7°
H3	C02	C03	H5	55.2°	62.5°
H3	C02	C18	H12	131.5°	60.9°
H3	C02	C18	H13	14.6°	59.1°
H3	C02	O01	H14	62.4°	59.9°
H4	C03	C04	H6	171.6°	57.7°
H4	C03	C04	H7	69.6°	177.7°
H5	C03	C04	H6	68.1°	62.5°
H5	C03	C04	H7	50.8°	57.6°
H6	C04	C05	H8	38.5°	59.2°
H6	C04	C05	H9	156.8°	60.9°
H7	C04	C05	H8	80.2°	179.3°
H7	C04	C05	H9	38.1°	59.3°

Release date:	2021-06-09
Definition date:	2021-01-17
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	7BKH