P0U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	N14	sing	1.46Å	1.46Å
O20	C19	doub	1.21Å	1.22Å
C23	C21	sing	1.53Å	1.53Å
N14	C19	sing	1.34Å	1.37Å
N14	C12	sing	1.37Å	1.41Å
C19	C21	sing	1.50Å	1.51Å
C12	C10	doub	1.31Å	1.34Å
C21	C27	sing	1.51Å	1.52Å
C10	C09	sing	1.47Å	1.46Å
C27	C09	doub	1.39Å	1.40Å	Aromatic
C27	C28	sing	1.38Å	1.39Å	Aromatic
C09	C07	sing	1.40Å	1.40Å	Aromatic
C28	C30	doub	1.39Å	1.38Å	Aromatic
C07	C06	doub	1.38Å	1.38Å	Aromatic
C30	C06	sing	1.39Å	1.41Å	Aromatic
C30	O31	sing	1.36Å	1.37Å
C06	O05	sing	1.36Å	1.37Å
C32	O31	sing	1.43Å	1.42Å
O05	C01	sing	1.43Å	1.43Å
C10	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C28	H6	sing	1.08Å	1.08Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C01	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.09Å	1.10Å
C23	H13	sing	1.09Å	1.10Å
C23	H14	sing	1.09Å	1.10Å
C32	H15	sing	1.09Å	1.10Å
C32	H16	sing	1.09Å	1.10Å
C32	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	N14	C19	117.7°	117.9°
C15	N14	C12	115.0°	118.0°
N14	C15	H2	109.5°	109.5°
N14	C15	H3	109.4°	109.5°
N14	C15	H4	109.5°	109.5°
O20	C19	N14	122.1°	119.3°
O20	C19	C21	122.3°	119.2°
C23	C21	C19	112.9°	109.9°
C23	C21	C27	115.3°	109.4°
C23	C21	H5	105.9°	109.5°
C21	C23	H12	109.5°	109.5°
C21	C23	H13	109.5°	109.5°
C21	C23	H14	109.4°	109.5°
C19	N14	C12	127.3°	124.1°
N14	C19	C21	115.6°	121.5°
N14	C12	C10	124.8°	126.6°
N14	C12	H11	117.6°	116.7°
C19	C21	C27	109.7°	109.5°
C19	C21	H5	106.2°	109.2°
C12	C10	C09	125.4°	125.7°
C12	C10	H1	117.3°	117.2°
C10	C12	H11	117.6°	116.7°
C21	C27	C09	119.0°	120.6°
C21	C27	C28	121.0°	119.3°
C27	C21	H5	106.0°	109.5°
C10	C09	C27	123.2°	121.3°
C10	C09	C07	117.7°	119.2°
C09	C10	H1	117.3°	117.1°
C09	C27	C28	120.0°	120.1°
C27	C09	C07	119.1°	119.5°
C27	C28	C30	120.4°	120.3°
C27	C28	H6	119.8°	119.9°
C09	C07	C06	120.7°	120.0°
C09	C07	H10	119.6°	120.0°
C28	C30	C06	119.8°	120.0°
C28	C30	O31	124.8°	120.1°
C30	C28	H6	119.8°	119.8°
C07	C06	C30	119.9°	120.0°
C07	C06	O05	124.6°	120.0°
C06	C07	H10	119.7°	120.0°
C06	C30	O31	115.4°	120.0°
C30	C06	O05	115.5°	120.0°
C30	O31	C32	118.0°	117.0°
C06	O05	C01	117.6°	117.0°
O31	C32	H15	109.5°	109.5°
O31	C32	H16	109.4°	109.5°
O31	C32	H17	109.5°	109.5°
O05	C01	H7	109.5°	109.5°
O05	C01	H8	109.5°	109.4°
O05	C01	H9	109.5°	109.5°
H2	C15	H3	109.5°	109.4°
H2	C15	H4	109.5°	109.4°
H3	C15	H4	109.5°	109.5°
H7	C01	H8	109.4°	109.5°
H7	C01	H9	109.5°	109.4°
H8	C01	H9	109.5°	109.4°
H12	C23	H13	109.5°	109.5°
H12	C23	H14	109.4°	109.5°
H13	C23	H14	109.5°	109.4°
H15	C32	H16	109.5°	109.4°
H15	C32	H17	109.4°	109.4°
H16	C32	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	N14	C19	O20	0.3°	2.2°
C15	N14	C19	C12	179.0°	180.0°
C15	N14	C19	C21	179.5°	177.8°
C15	N14	C12	C10	135.1°	137.5°
N14	C15	H2	H3	120.0°	120.0°
N14	C15	H2	H4	120.0°	120.0°
N14	C15	H3	H4	120.0°	120.1°
C15	N14	C12	H11	44.9°	42.4°
O20	C19	C21	C23	18.9°	123.0°
O20	C19	N14	C21	179.8°	180.0°
O20	C19	N14	C12	178.7°	177.9°
O20	C19	C21	C27	111.3°	116.9°
O20	C19	C21	H5	134.6°	2.9°
C23	C21	C19	N14	160.8°	57.0°
C23	C21	C19	C27	130.2°	120.2°
C23	C21	C19	H5	115.6°	120.0°
C23	C21	C27	H5	116.9°	119.9°
C23	C21	C27	C09	164.1°	58.2°
C23	C21	C27	C28	15.9°	121.4°
C21	C23	H12	H13	120.0°	120.0°
C21	C23	H12	H14	120.0°	120.0°
C21	C23	H13	H14	120.0°	120.0°
C19	N14	C12	C10	43.9°	42.4°
N14	C19	C21	C27	69.0°	63.1°
C19	N14	C15	H2	180.0°	90.0°
C19	N14	C15	H3	60.0°	150.0°
C19	N14	C15	H4	60.0°	30.0°
N14	C19	C21	H5	45.2°	177.1°
C19	N14	C12	H11	136.1°	137.6°
C12	N14	C19	C21	1.5°	2.1°
N14	C12	C10	H11	180.0°	180.0°
N14	C12	C10	C09	6.5°	0.9°
N14	C12	C10	H1	173.5°	179.5°
C12	N14	C15	H2	0.9°	90.0°
C12	N14	C15	H3	120.9°	30.0°
C12	N14	C15	H4	119.1°	150.0°
C19	C21	C27	H5	114.3°	119.6°
C19	C21	C27	C09	67.0°	62.3°
C19	C21	C27	C28	113.0°	118.1°
C19	C21	C23	H12	180.0°	60.2°
C19	C21	C23	H13	60.0°	59.8°
C19	C21	C23	H14	60.0°	179.7°
C12	C10	C09	H1	180.0°	179.6°
C12	C10	C09	C27	34.7°	39.5°
C12	C10	C09	C07	145.1°	140.6°
C21	C27	C09	C10	0.7°	0.1°
C21	C27	C09	C28	180.0°	179.6°
C21	C27	C09	C07	179.6°	180.0°
C21	C27	C28	C30	179.5°	179.6°
C21	C27	C28	H6	0.5°	0.4°
C27	C21	C23	H12	52.8°	60.0°
C27	C21	C23	H13	67.3°	180.0°
C27	C21	C23	H14	172.7°	60.1°
C10	C09	C27	C07	179.8°	179.9°
C10	C09	C27	C28	179.3°	179.5°
C10	C09	C07	C06	179.5°	179.6°
C10	C09	C07	H10	0.5°	0.1°
C09	C10	C12	H11	173.5°	179.2°
C09	C27	C28	C30	0.6°	0.8°
C27	C09	C07	C06	0.3°	0.3°
C27	C09	C10	H1	145.3°	140.1°
C09	C27	C21	H5	47.3°	178.1°
C09	C27	C28	H6	179.4°	179.2°
C27	C09	C07	H10	179.7°	179.8°
C28	C27	C09	C07	0.5°	0.4°
C27	C28	C30	H6	180.0°	180.0°
C27	C28	C30	C06	0.5°	1.1°
C27	C28	C30	O31	179.7°	179.9°
C28	C27	C21	H5	132.8°	1.5°
C09	C07	C06	H10	180.0°	179.5°
C09	C07	C06	C30	0.2°	0.6°
C09	C07	C06	O05	179.7°	179.5°
C07	C09	C10	H1	34.9°	39.8°
C28	C30	C06	C07	0.3°	1.0°
C28	C30	C06	O31	179.8°	178.8°
C28	C30	C06	O05	179.6°	179.1°
C28	C30	O31	C32	2.1°	0.1°
C07	C06	C30	O05	180.0°	179.9°
C07	C06	C30	O31	179.9°	179.8°
C07	C06	O05	C01	56.9°	0.0°
C06	C30	O31	C32	177.7°	178.9°
C30	C06	O05	C01	123.1°	180.0°
C06	C30	C28	H6	179.5°	179.0°
C30	C06	C07	H10	179.8°	179.9°
O31	C30	C06	O05	0.2°	0.3°
O31	C30	C28	H6	0.3°	0.1°
C30	O31	C32	H15	180.0°	60.0°
C30	O31	C32	H16	60.0°	60.0°
C30	O31	C32	H17	60.0°	180.0°
C06	O05	C01	H7	180.0°	179.9°
C06	O05	C01	H8	60.0°	60.0°
C06	O05	C01	H9	60.0°	59.9°
O05	C06	C07	H10	0.3°	0.0°
O31	C32	H15	H16	120.0°	120.0°
O31	C32	H15	H17	120.0°	120.1°
O31	C32	H16	H17	120.0°	120.1°
O05	C01	H7	H8	120.0°	120.0°
O05	C01	H7	H9	120.0°	120.0°
O05	C01	H8	H9	120.0°	120.0°
H1	C10	C12	H11	6.5°	0.5°
H2	C15	H3	H4	120.0°	119.9°
H5	C21	C23	H12	64.2°	179.9°
H5	C21	C23	H13	175.8°	60.1°
H5	C21	C23	H14	55.8°	59.9°
H7	C01	H8	H9	120.0°	120.0°
H12	C23	H13	H14	120.0°	120.0°
H15	C32	H16	H17	120.0°	119.9°

Release date:	2022-11-30
Definition date:	2022-09-29
Last modified:	2022-11-25
Release status:	REL
Processing site:	PDBE
Derived from:	8B5I