P6Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O04	N03	sing	1.42Å	1.36Å
N03	C02	sing	1.35Å	1.42Å
O01	C02	doub	1.22Å	1.22Å
C02	C05	sing	1.48Å	1.47Å
F20	C19	sing	1.40Å	1.34Å
F22	C19	sing	1.40Å	1.35Å
C05	C06	doub	1.40Å	1.40Å	Aromatic
C05	C24	sing	1.40Å	1.38Å	Aromatic
C06	C07	sing	1.38Å	1.40Å	Aromatic
F21	C19	sing	1.40Å	1.33Å
C19	C18	sing	1.51Å	1.53Å
C24	C23	doub	1.38Å	1.38Å	Aromatic
C07	C08	doub	1.38Å	1.40Å	Aromatic
N17	C18	doub	1.32Å	1.35Å	Aromatic
N17	C16	sing	1.32Å	1.35Å	Aromatic
C23	C08	sing	1.38Å	1.39Å	Aromatic
C18	C13	sing	1.40Å	1.39Å	Aromatic
C08	C09	sing	1.51Å	1.51Å
O12	C11	doub	1.22Å	1.22Å
C16	C15	doub	1.38Å	1.39Å	Aromatic
C13	C11	sing	1.48Å	1.49Å
C13	C14	doub	1.40Å	1.40Å	Aromatic
C11	N10	sing	1.35Å	1.39Å
N10	C09	sing	1.47Å	1.47Å
C15	C14	sing	1.38Å	1.39Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C24	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.09Å	1.10Å
C09	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C23	H9	sing	1.08Å	1.08Å
N03	H10	sing	0.97Å	1.00Å
N10	H11	sing	0.97Å	1.00Å
O04	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O04	N03	C02	108.9°	120.0°
O04	N03	H10	125.5°	120.0°
N03	O04	H12	109.5°	114.0°
N03	C02	O01	120.1°	120.0°
N03	C02	C05	114.6°	120.0°
C02	N03	H10	125.6°	120.0°
O01	C02	C05	125.3°	120.0°
C02	C05	C06	121.1°	120.2°
C02	C05	C24	121.8°	120.1°
F20	C19	F22	105.7°	109.5°
F20	C19	F21	106.1°	109.5°
F20	C19	C18	109.2°	109.4°
F22	C19	F21	104.7°	109.4°
F22	C19	C18	115.1°	109.5°
C06	C05	C24	117.1°	119.7°
C05	C06	C07	121.1°	119.9°
C05	C06	H3	119.4°	120.0°
C05	C24	C23	121.0°	119.8°
C05	C24	H2	119.5°	120.1°
C06	C07	C08	122.0°	120.1°
C07	C06	H3	119.5°	120.1°
C06	C07	H4	119.0°	120.0°
F21	C19	C18	115.4°	109.5°
C19	C18	N17	110.2°	119.7°
C19	C18	C13	124.3°	119.7°
C24	C23	C08	123.8°	120.2°
C23	C24	H2	119.5°	120.1°
C24	C23	H9	118.1°	119.9°
C07	C08	C23	115.1°	120.3°
C07	C08	C09	124.7°	119.8°
C08	C07	H4	119.0°	119.9°
C18	N17	C16	117.7°	121.9°
N17	C18	C13	125.5°	120.6°
N17	C16	C15	121.6°	121.1°
N17	C16	H8	119.2°	119.5°
C23	C08	C09	120.2°	119.9°
C08	C23	H9	118.1°	120.0°
C18	C13	C11	124.9°	120.5°
C18	C13	C14	115.0°	118.9°
C08	C09	N10	120.5°	109.5°
C08	C09	H5	106.6°	109.4°
C08	C09	H6	106.7°	109.4°
O12	C11	C13	117.4°	120.0°
O12	C11	N10	122.9°	120.0°
C16	C15	C14	119.1°	119.3°
C16	C15	H1	120.4°	120.3°
C15	C16	H8	119.2°	119.5°
C11	C13	C14	120.1°	120.6°
C13	C11	N10	119.7°	120.0°
C13	C14	C15	121.1°	118.3°
C13	C14	H7	119.5°	120.9°
C11	N10	C09	125.0°	120.0°
C11	N10	H11	117.5°	120.0°
N10	C09	H5	106.7°	109.5°
N10	C09	H6	106.7°	109.5°
C09	N10	H11	117.5°	120.0°
C14	C15	H1	120.4°	120.4°
C15	C14	H7	119.5°	120.8°
H5	C09	H6	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O04	N03	C02	H10	180.0°	180.0°
O04	N03	C02	O01	1.2°	0.0°
O04	N03	C02	C05	179.9°	180.0°
N03	C02	O01	C05	178.5°	180.0°
N03	C02	C05	C06	7.6°	180.0°
N03	C02	C05	C24	173.1°	0.0°
C02	N03	O04	H12	0.6°	179.9°
O01	C02	C05	C06	171.0°	0.0°
O01	C02	C05	C24	8.4°	179.9°
O01	C02	N03	H10	178.7°	180.0°
C02	C05	C06	C24	179.4°	179.9°
C02	C05	C06	C07	179.3°	180.0°
C02	C05	C24	C23	179.3°	180.0°
C02	C05	C24	H2	0.7°	0.2°
C02	C05	C06	H3	0.7°	0.1°
C05	C02	N03	H10	0.1°	0.0°
F20	C19	F22	F21	111.8°	120.0°
F20	C19	F22	C18	120.5°	120.0°
F20	C19	F21	C18	121.0°	120.0°
F20	C19	C18	N17	55.8°	117.5°
F20	C19	C18	C13	124.4°	62.6°
F22	C19	F21	C18	127.6°	120.0°
F22	C19	C18	N17	62.8°	122.6°
F22	C19	C18	C13	117.1°	57.4°
C05	C06	C07	H3	180.0°	179.9°
C06	C05	C24	C23	0.0°	0.1°
C05	C06	C07	C08	0.0°	0.1°
C06	C05	C24	H2	180.0°	179.7°
C05	C06	C07	H4	180.0°	180.0°
C24	C05	C06	C07	0.0°	0.1°
C05	C24	C23	H2	180.0°	179.8°
C05	C24	C23	C08	0.0°	0.0°
C24	C05	C06	H3	180.0°	180.0°
C05	C24	C23	H9	180.0°	179.7°
C06	C07	C08	H4	180.0°	180.0°
C06	C07	C08	C23	0.0°	0.0°
C06	C07	C08	C09	179.2°	180.0°
F21	C19	C18	N17	175.1°	2.5°
F21	C19	C18	C13	5.1°	177.4°
C19	C18	N17	C13	179.8°	179.9°
C19	C18	N17	C16	180.0°	180.0°
C19	C18	C13	C11	0.4°	0.1°
C19	C18	C13	C14	179.9°	179.7°
C24	C23	C08	C07	0.0°	0.0°
C24	C23	C08	H9	180.0°	179.7°
C24	C23	C08	C09	179.2°	180.0°
C07	C08	C23	C09	179.2°	180.0°
C07	C08	C09	N10	59.7°	90.0°
C08	C07	C06	H3	180.0°	179.9°
C07	C08	C09	H5	178.8°	150.1°
C07	C08	C09	H6	61.8°	30.0°
C07	C08	C23	H9	180.0°	179.7°
C18	N17	C16	C15	0.0°	0.4°
N17	C18	C13	C11	179.8°	180.0°
N17	C18	C13	C14	0.4°	0.2°
C18	N17	C16	H8	180.0°	180.0°
C16	N17	C18	C13	0.2°	0.1°
N17	C16	C15	H8	180.0°	179.6°
N17	C16	C15	C14	0.1°	0.4°
N17	C16	C15	H1	180.0°	179.7°
C23	C08	C09	N10	121.2°	90.0°
C08	C23	C24	H2	180.0°	179.7°
C23	C08	C07	H4	180.0°	180.0°
C23	C08	C09	H5	0.4°	30.0°
C23	C08	C09	H6	117.3°	150.0°
C18	C13	C11	O12	83.2°	5.8°
C18	C13	C11	C14	179.4°	179.8°
C18	C13	C11	N10	96.0°	174.1°
C18	C13	C14	C15	0.4°	0.2°
C18	C13	C14	H7	179.6°	179.7°
C08	C09	N10	C11	77.9°	180.0°
C08	C09	N10	H5	121.5°	119.9°
C08	C09	N10	H6	121.5°	120.0°
C09	C08	C07	H4	0.8°	0.0°
C08	C09	H5	H6	115.0°	120.0°
C09	C08	C23	H9	0.8°	0.3°
C08	C09	N10	H11	102.1°	0.0°
O12	C11	C13	N10	179.2°	179.9°
O12	C11	C13	C14	96.2°	174.3°
O12	C11	N10	C09	1.8°	0.0°
O12	C11	N10	H11	178.2°	180.0°
C16	C15	C14	C13	0.3°	0.1°
C16	C15	C14	H1	180.0°	179.9°
C16	C15	C14	H7	179.7°	180.0°
C13	C11	N10	C09	179.1°	180.0°
C11	C13	C14	C15	179.9°	180.0°
C11	C13	C14	H7	0.1°	0.1°
C13	C11	N10	H11	0.9°	0.0°
C14	C13	C11	N10	84.6°	5.7°
C13	C14	C15	H7	180.0°	179.9°
C13	C14	C15	H1	179.7°	180.0°
C11	N10	C09	H11	180.0°	180.0°
C11	N10	C09	H5	160.5°	60.1°
C11	N10	C09	H6	43.6°	60.0°
N10	C09	H5	H6	115.1°	120.0°
C14	C15	C16	H8	180.0°	180.0°
H1	C15	C14	H7	0.3°	0.1°
H1	C15	C16	H8	0.0°	0.1°
H2	C24	C23	H9	0.0°	0.1°
H3	C06	C07	H4	0.0°	0.1°
H5	C09	N10	H11	19.5°	119.9°
H6	C09	N10	H11	136.4°	120.0°
H10	N03	O04	H12	179.4°	0.1°

Release date:	2020-02-05
Definition date:	2019-08-02
Last modified:	2020-01-31
Release status:	REL
Processing site:	RCSB
Derived from:	6PZO