8O3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	C14	doub	1.21Å	1.18Å
N15	C14	sing	1.33Å	1.45Å
N15	C16	sing	1.46Å	1.45Å
C14	C13	sing	1.50Å	1.53Å
C16	C17	sing	1.53Å	1.52Å
C17	N11	sing	1.47Å	1.46Å
C13	N11	sing	1.47Å	1.46Å
N11	C10	sing	1.35Å	1.46Å
C10	O12	doub	1.21Å	1.19Å
C10	C09	sing	1.51Å	1.53Å
C09	C08	sing	1.53Å	1.53Å
C08	C07	sing	1.53Å	1.53Å
C08	N19	sing	1.47Å	1.45Å
C07	C04	sing	1.51Å	1.53Å
C04	C05	doub	1.38Å	1.39Å	Aromatic
C04	C03	sing	1.39Å	1.38Å	Aromatic
F22	C03	sing	1.35Å	1.36Å
C05	C06	sing	1.38Å	1.39Å	Aromatic
C03	C02	doub	1.38Å	1.38Å	Aromatic
C06	F20	sing	1.35Å	1.36Å
C06	C01	doub	1.39Å	1.38Å	Aromatic
C02	C01	sing	1.38Å	1.39Å	Aromatic
C01	F21	sing	1.35Å	1.36Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C02	H021	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C07	H071	sing	1.09Å	1.10Å
C07	H072	sing	1.09Å	1.10Å
C08	H1	sing	1.09Å	1.10Å
C09	H092	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
N15	H2	sing	0.97Å	1.00Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
N19	H3	sing	1.01Å	1.00Å
N19	H4	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	C14	N15	119.8°	118.5°
O18	C14	C13	120.0°	118.5°
C14	N15	C16	118.6°	124.6°
N15	C14	C13	120.2°	123.0°
C14	N15	H2	120.7°	117.6°
N15	C16	C17	108.2°	110.8°
C16	N15	H2	120.7°	117.8°
N15	C16	H161	109.8°	109.3°
N15	C16	H162	109.8°	109.2°
C14	C13	N11	111.1°	108.9°
C14	C13	H132	109.1°	109.6°
C14	C13	H131	109.0°	109.6°
C16	C17	N11	114.1°	108.2°
C16	C17	H171	108.3°	109.7°
C16	C17	H172	108.3°	109.8°
C17	C16	H161	109.8°	109.2°
C17	C16	H162	109.8°	109.2°
C17	N11	C13	121.4°	117.3°
C17	N11	C10	117.9°	121.3°
N11	C17	H171	108.3°	109.7°
N11	C17	H172	108.3°	109.8°
C13	N11	C10	120.7°	121.3°
N11	C13	H132	109.1°	109.6°
N11	C13	H131	109.1°	109.5°
N11	C10	O12	118.9°	120.0°
N11	C10	C09	121.9°	120.0°
O12	C10	C09	119.2°	120.0°
C10	C09	C08	109.4°	109.5°
C10	C09	H092	109.5°	109.5°
C10	C09	H091	109.5°	109.5°
C09	C08	C07	110.1°	109.5°
C09	C08	N19	109.7°	109.5°
C09	C08	H1	108.7°	109.4°
C08	C09	H092	109.5°	109.5°
C08	C09	H091	109.5°	109.4°
C07	C08	N19	109.9°	109.5°
C08	C07	C04	110.2°	109.5°
C08	C07	H071	109.3°	109.5°
C08	C07	H072	109.3°	109.5°
C07	C08	H1	108.7°	109.4°
N19	C08	H1	109.8°	109.5°
C08	N19	H3	109.5°	111.0°
C08	N19	H4	109.5°	111.0°
C07	C04	C05	119.8°	120.0°
C07	C04	C03	120.6°	120.0°
C04	C07	H071	109.3°	109.5°
C04	C07	H072	109.3°	109.4°
C05	C04	C03	119.7°	120.0°
C04	C05	C06	120.1°	120.0°
C04	C05	H051	120.0°	120.0°
C04	C03	F22	120.4°	120.0°
C04	C03	C02	120.2°	120.0°
F22	C03	C02	119.4°	120.0°
C05	C06	F20	120.2°	120.0°
C05	C06	C01	120.1°	120.0°
C06	C05	H051	120.0°	120.0°
C03	C02	C01	120.2°	120.0°
C03	C02	H021	119.9°	120.0°
F20	C06	C01	119.7°	120.1°
C06	C01	C02	119.8°	120.0°
C06	C01	F21	119.9°	120.0°
C02	C01	F21	120.3°	120.0°
C01	C02	H021	119.9°	120.0°
H132	C13	H131	109.5°	109.6°
H171	C17	H172	109.5°	109.7°
H071	C07	H072	109.5°	109.5°
H092	C09	H091	109.4°	109.4°
H161	C16	H162	109.5°	109.1°
H3	N19	H4	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	C14	N15	C13	179.6°	179.9°
O18	C14	N15	C16	179.9°	175.6°
O18	C14	C13	N11	151.4°	167.3°
O18	C14	C13	H132	88.3°	47.4°
O18	C14	C13	H131	31.2°	72.9°
O18	C14	N15	H2	0.1°	4.4°
C14	N15	C16	H2	180.0°	180.0°
C14	N15	C16	C17	41.3°	21.8°
N15	C14	C13	N11	28.2°	12.6°
N15	C14	C13	H132	92.1°	132.5°
N15	C14	C13	H131	148.4°	107.2°
C14	N15	C16	H161	161.1°	142.2°
C14	N15	C16	H162	78.5°	98.5°
C16	N15	C14	C13	0.3°	4.2°
N15	C16	C17	H161	119.8°	120.4°
N15	C16	C17	H162	119.8°	120.3°
N15	C16	C17	N11	55.6°	46.7°
N15	C16	C17	H171	65.1°	73.0°
N15	C16	C17	H172	176.2°	166.5°
N15	C16	H161	H162	120.6°	119.3°
C14	C13	N11	C17	12.8°	42.7°
C14	C13	N11	H132	120.2°	119.8°
C14	C13	N11	H131	120.2°	119.9°
C14	C13	N11	C10	167.3°	137.3°
C14	C13	H132	H131	119.2°	120.3°
C13	C14	N15	H2	179.7°	175.7°
C16	C17	N11	H171	120.7°	119.6°
C16	C17	N11	H172	120.7°	119.8°
C16	C17	N11	C13	28.7°	61.5°
C16	C17	N11	C10	151.2°	118.6°
C16	C17	H171	H172	118.0°	120.6°
C17	C16	N15	H2	138.7°	158.1°
C17	C16	H161	H162	120.6°	119.3°
C17	N11	C13	C10	179.9°	180.0°
C17	N11	C10	O12	0.0°	0.0°
C17	N11	C10	C09	179.8°	179.7°
C17	N11	C13	H132	107.5°	162.5°
C17	N11	C13	H131	133.0°	77.2°
N11	C17	H171	H172	117.9°	120.6°
N11	C17	C16	H161	175.4°	167.1°
N11	C17	C16	H162	64.2°	73.6°
C13	N11	C10	O12	179.9°	180.0°
C13	N11	C10	C09	0.2°	0.3°
N11	C13	H132	H131	119.3°	120.3°
C13	N11	C17	H171	91.9°	58.2°
C13	N11	C17	H172	149.4°	178.8°
N11	C10	O12	C09	179.7°	179.8°
N11	C10	C09	C08	179.5°	179.8°
C10	N11	C13	H132	72.5°	17.5°
C10	N11	C13	H131	47.1°	102.8°
C10	N11	C17	H171	88.1°	121.8°
C10	N11	C17	H172	30.5°	1.2°
N11	C10	C09	H092	59.5°	59.7°
N11	C10	C09	H091	60.5°	60.3°
O12	C10	C09	C08	0.3°	0.0°
O12	C10	C09	H092	120.3°	120.1°
O12	C10	C09	H091	119.7°	120.0°
C10	C09	C08	H092	120.0°	120.0°
C10	C09	C08	H091	120.0°	120.0°
C10	C09	C08	C07	70.3°	175.0°
C10	C09	C08	N19	168.7°	65.0°
C10	C09	C08	H1	48.6°	55.0°
C10	C09	H092	H091	120.0°	120.0°
C09	C08	C07	N19	121.0°	120.0°
C09	C08	C07	H1	118.9°	119.9°
C09	C08	N19	H1	119.4°	120.0°
C09	C08	C07	C04	175.7°	175.0°
C09	C08	C07	H071	64.2°	65.0°
C09	C08	C07	H072	55.6°	55.0°
C08	C09	H092	H091	120.0°	120.0°
C09	C08	N19	H3	180.0°	176.1°
C09	C08	N19	H4	60.0°	60.0°
C07	C08	N19	H1	119.4°	120.0°
C08	C07	C04	H071	120.1°	120.0°
C08	C07	C04	H072	120.1°	120.0°
C08	C07	C04	C05	58.3°	100.0°
C08	C07	C04	C03	122.4°	79.7°
C08	C07	H071	H072	119.7°	120.0°
C07	C08	C09	H092	49.7°	55.0°
C07	C08	C09	H091	169.7°	65.0°
C07	C08	N19	H3	58.8°	63.9°
C07	C08	N19	H4	61.2°	60.0°
N19	C08	C07	C04	54.8°	65.0°
N19	C08	C07	H071	174.9°	55.0°
N19	C08	C07	H072	65.4°	175.0°
N19	C08	C09	H092	71.3°	175.0°
N19	C08	C09	H091	48.6°	55.0°
C08	N19	H3	H4	120.0°	123.9°
C07	C04	C05	C03	179.3°	179.7°
C07	C04	C03	F22	0.4°	0.3°
C07	C04	C05	C06	179.7°	180.0°
C07	C04	C03	C02	179.8°	179.7°
C07	C04	C05	H051	0.3°	0.3°
C04	C07	H071	H072	119.7°	119.9°
C04	C07	C08	H1	65.3°	55.0°
C05	C04	C03	F22	179.8°	180.0°
C04	C05	C06	H051	180.0°	179.7°
C05	C04	C03	C02	0.5°	0.0°
C04	C05	C06	F20	179.9°	180.0°
C04	C05	C06	C01	0.2°	0.6°
C05	C04	C07	H071	61.8°	140.0°
C05	C04	C07	H072	178.4°	20.0°
C04	C03	F22	C02	179.8°	180.0°
C03	C04	C05	C06	0.3°	0.3°
C04	C03	C02	C01	0.4°	0.0°
C04	C03	C02	H021	179.6°	180.0°
C03	C04	C05	H051	179.7°	180.0°
C03	C04	C07	H071	117.5°	40.4°
C03	C04	C07	H072	2.3°	160.3°
F22	C03	C02	C01	179.8°	180.0°
F22	C03	C02	H021	0.2°	0.0°
C05	C06	F20	C01	179.9°	179.4°
C05	C06	C01	C02	0.1°	0.6°
C05	C06	C01	F21	180.0°	179.7°
C03	C02	C01	C06	0.2°	0.3°
C03	C02	C01	H021	180.0°	180.0°
C03	C02	C01	F21	179.8°	180.0°
F20	C06	C01	C02	179.9°	180.0°
F20	C06	C01	F21	0.0°	0.3°
F20	C06	C05	H051	0.1°	0.3°
C06	C01	C02	F21	179.9°	179.7°
C06	C01	C02	H021	179.7°	179.7°
C01	C06	C05	H051	179.8°	179.7°
F21	C01	C02	H021	0.2°	0.0°
H171	C17	C16	H161	54.7°	47.4°
H171	C17	C16	H162	175.1°	166.7°
H172	C17	C16	H161	64.0°	73.1°
H172	C17	C16	H162	56.5°	46.1°
H071	C07	C08	H1	54.8°	175.1°
H072	C07	C08	H1	174.5°	64.9°
H1	C08	C09	H092	168.6°	65.0°
H1	C08	C09	H091	71.4°	175.0°
H1	C08	N19	H3	60.6°	56.1°
H1	C08	N19	H4	179.4°	180.0°
H2	N15	C16	H161	18.9°	37.8°
H2	N15	C16	H162	101.5°	81.5°

Release date:	2019-03-20
Definition date:	2017-08-22
Last modified:	2019-03-15
Release status:	REL
Processing site:	PDBJ
Derived from:	5Y7H