U3K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C04	C03	sing	1.41Å	1.37Å	Aromatic
C04	C05	doub	1.35Å	1.41Å	Aromatic
C03	C02	doub	1.34Å	1.40Å	Aromatic
C07	C05	sing	1.51Å	1.55Å
C07	N08	sing	1.47Å	1.45Å
C05	O06	sing	1.34Å	1.34Å	Aromatic
C02	O06	sing	1.34Å	1.34Å	Aromatic
C02	C01	sing	1.51Å	1.53Å
C15	C16	doub	1.38Å	1.38Å	Aromatic
C11	C16	sing	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.51Å	1.53Å
C09	N08	sing	1.47Å	1.47Å
N08	C10	sing	1.47Å	1.46Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.09Å	1.10Å
C07	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C09	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
C15	H16	sing	1.08Å	1.08Å
C16	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C12	119.7°	120.0°
C13	C14	C15	120.1°	120.0°
C14	C13	H14	120.1°	120.0°
C13	C14	H15	119.9°	120.0°
C13	C12	C11	120.6°	120.0°
C13	C12	H13	119.7°	120.0°
C12	C13	H14	120.2°	120.0°
C14	C15	C16	120.1°	120.0°
C15	C14	H15	119.9°	120.0°
C14	C15	H16	119.9°	120.0°
C12	C11	C16	119.1°	120.0°
C12	C11	C10	121.2°	120.0°
C11	C12	H13	119.7°	120.0°
C03	C04	C05	107.4°	106.9°
C04	C03	C02	106.9°	106.8°
C04	C03	H4	126.5°	126.6°
C03	C04	H5	126.3°	126.6°
C04	C05	C07	129.2°	125.8°
C04	C05	O06	107.2°	108.4°
C05	C04	H5	126.3°	126.6°
C03	C02	O06	108.1°	108.4°
C03	C02	C01	127.0°	125.8°
C02	C03	H4	126.5°	126.5°
C05	C07	N08	119.6°	109.5°
C07	C05	O06	123.5°	125.8°
C05	C07	H6	106.9°	109.4°
C05	C07	H7	106.9°	109.5°
C07	N08	C09	110.0°	111.0°
C07	N08	C10	107.7°	111.0°
N08	C07	H6	106.9°	109.5°
N08	C07	H7	106.9°	109.5°
C05	O06	C02	110.3°	109.5°
O06	C02	C01	124.9°	125.8°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C15	C16	C11	120.5°	120.0°
C16	C15	H16	120.0°	120.0°
C15	C16	H17	119.7°	120.0°
C16	C11	C10	119.7°	120.0°
C11	C16	H17	119.8°	120.0°
C11	C10	N08	118.4°	109.4°
C11	C10	H11	107.2°	109.5°
C11	C10	H12	107.2°	109.5°
C09	N08	C10	112.8°	111.0°
N08	C09	H8	109.5°	109.5°
N08	C09	H9	109.5°	109.5°
N08	C09	H10	109.4°	109.4°
N08	C10	H11	107.2°	109.4°
N08	C10	H12	107.2°	109.5°
H1	C01	H2	109.4°	109.4°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.4°
H6	C07	H7	109.5°	109.4°
H8	C09	H9	109.5°	109.5°
H8	C09	H10	109.5°	109.5°
H9	C09	H10	109.5°	109.4°
H11	C10	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C12	H14	180.0°	180.0°
C13	C14	C15	H15	180.0°	179.9°
C14	C13	C12	C11	0.4°	NaN°
C13	C14	C15	C16	0.3°	0.0°
C14	C13	C12	H13	179.6°	179.9°
C13	C14	C15	H16	179.7°	180.0°
C12	C13	C14	C15	0.0°	0.0°
C13	C12	C11	H13	180.0°	179.9°
C13	C12	C11	C16	1.1°	0.0°
C13	C12	C11	C10	178.8°	179.8°
C12	C13	C14	H15	180.0°	179.9°
C14	C15	C16	H16	180.0°	180.0°
C14	C15	C16	C11	1.0°	0.1°
C15	C14	C13	H14	180.0°	180.0°
C14	C15	C16	H17	179.1°	179.7°
C12	C11	C16	C15	1.3°	0.1°
C12	C11	C16	C10	177.8°	179.8°
C12	C11	C10	N08	89.5°	89.7°
C12	C11	C10	H11	31.8°	30.2°
C12	C11	C10	H12	149.2°	150.2°
C11	C12	C13	H14	179.6°	180.0°
C12	C11	C16	H17	178.7°	179.7°
C03	C04	C05	H5	180.0°	180.0°
C04	C03	C02	H4	180.0°	180.0°
C03	C04	C05	C07	176.9°	180.0°
C03	C04	C05	O06	0.7°	0.0°
C04	C03	C02	O06	0.3°	0.0°
C04	C03	C02	C01	179.2°	179.8°
C05	C04	C03	C02	0.7°	0.0°
C04	C05	C07	O06	177.3°	179.9°
C04	C05	C07	N08	87.8°	90.0°
C04	C05	O06	C02	0.5°	0.0°
C05	C04	C03	H4	179.3°	180.0°
C04	C05	C07	H6	33.7°	150.0°
C04	C05	C07	H7	150.8°	30.1°
C03	C02	O06	C05	0.1°	0.0°
C03	C02	O06	C01	179.6°	179.8°
C03	C02	C01	H1	179.5°	179.7°
C03	C02	C01	H2	60.5°	59.8°
C03	C02	C01	H3	59.5°	60.2°
C02	C03	C04	H5	179.3°	180.0°
C05	C07	N08	H6	121.4°	120.0°
C05	C07	N08	H7	121.4°	120.1°
C07	C05	O06	C02	177.3°	179.9°
C05	C07	N08	C09	154.3°	66.0°
C05	C07	N08	C10	82.4°	169.9°
C07	C05	C04	H5	3.1°	0.1°
C05	C07	H6	H7	115.4°	120.0°
N08	C07	C05	O06	95.0°	90.0°
C07	N08	C10	C11	86.1°	170.0°
C07	N08	C09	C10	120.2°	124.0°
N08	C07	H6	H7	115.4°	120.0°
C07	N08	C09	H8	180.0°	60.0°
C07	N08	C09	H9	60.0°	180.0°
C07	N08	C09	H10	60.0°	60.0°
C07	N08	C10	H11	35.2°	70.0°
C07	N08	C10	H12	152.6°	50.0°
C05	O06	C02	C01	179.7°	179.8°
O06	C05	C04	H5	179.3°	180.0°
O06	C05	C07	H6	143.6°	30.0°
O06	C05	C07	H7	26.5°	150.0°
O06	C02	C01	H1	0.0°	0.0°
O06	C02	C01	H2	120.0°	120.0°
O06	C02	C01	H3	120.0°	120.0°
O06	C02	C03	H4	179.7°	180.0°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.1°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C03	H4	0.8°	0.2°
C15	C16	C11	H17	180.0°	179.6°
C15	C16	C11	C10	179.1°	179.7°
C16	C15	C14	H15	179.7°	179.9°
C16	C11	C10	N08	92.8°	90.1°
C16	C11	C10	H11	146.0°	150.0°
C16	C11	C10	H12	28.5°	30.0°
C16	C11	C12	H13	178.9°	180.0°
C11	C16	C15	H16	179.0°	180.0°
C11	C10	N08	C09	35.4°	66.0°
C11	C10	N08	H11	121.3°	120.0°
C11	C10	N08	H12	121.3°	120.0°
C11	C10	H11	H12	115.9°	120.0°
C10	C11	C12	H13	1.2°	0.2°
C10	C11	C16	H17	0.9°	0.1°
C09	N08	C07	H6	84.2°	174.0°
C09	N08	C07	H7	32.9°	54.0°
N08	C09	H8	H9	120.0°	120.0°
N08	C09	H8	H10	120.0°	120.0°
N08	C09	H9	H10	120.0°	120.0°
C09	N08	C10	H11	156.7°	53.9°
C09	N08	C10	H12	85.8°	174.0°
C10	N08	C07	H6	39.0°	50.0°
C10	N08	C07	H7	156.1°	70.0°
C10	N08	C09	H8	59.8°	176.1°
C10	N08	C09	H9	60.2°	56.0°
C10	N08	C09	H10	179.8°	64.0°
N08	C10	H11	H12	116.0°	120.0°
H1	C01	H2	H3	120.0°	120.0°
H4	C03	C04	H5	0.7°	0.0°
H8	C09	H9	H10	120.0°	120.0°
H13	C12	C13	H14	0.4°	0.1°
H14	C13	C14	H15	0.0°	0.1°
H15	C14	C15	H16	0.3°	0.1°
H16	C15	C16	H17	1.0°	0.3°

Release date:	2022-01-12
Definition date:	2021-01-19
Last modified:	2022-01-07
Release status:	REL
Processing site:	PDBE
Derived from:	7B8X