0WQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR9	C08	sing	1.89Å	1.93Å
C10	C08	doub	1.38Å	1.37Å	Aromatic
C10	C11	sing	1.38Å	1.37Å	Aromatic
C08	C07	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C07	C06	doub	1.38Å	1.38Å	Aromatic
C12	C06	sing	1.38Å	1.37Å	Aromatic
C06	C02	sing	1.51Å	1.53Å
C02	C03	sing	1.51Å	1.54Å
C02	C01	sing	1.53Å	1.52Å
C03	N04	doub	1.28Å	1.27Å
N04	O05	sing	1.42Å	1.42Å
C11	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C02	H7	sing	1.09Å	1.10Å
C03	H8	sing	1.08Å	1.08Å
C07	H9	sing	1.08Å	1.08Å
O05	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR9	C08	C10	117.6°	120.0°
BR9	C08	C07	119.7°	120.0°
C08	C10	C11	116.9°	120.0°
C10	C08	C07	122.6°	120.0°
C08	C10	H2	121.6°	120.0°
C10	C11	C12	121.7°	120.1°
C10	C11	H1	119.1°	119.9°
C11	C10	H2	121.6°	120.0°
C08	C07	C06	119.7°	120.0°
C08	C07	H9	120.2°	120.0°
C11	C12	C06	120.4°	120.0°
C12	C11	H1	119.1°	120.0°
C11	C12	H3	119.8°	120.0°
C07	C06	C12	118.8°	120.0°
C07	C06	C02	120.1°	120.0°
C06	C07	H9	120.2°	120.0°
C12	C06	C02	121.2°	120.0°
C06	C12	H3	119.8°	120.0°
C06	C02	C03	111.3°	109.5°
C06	C02	C01	106.4°	109.5°
C06	C02	H7	108.3°	109.5°
C03	C02	C01	114.0°	109.4°
C02	C03	N04	125.6°	120.0°
C03	C02	H7	108.2°	109.5°
C02	C03	H8	117.2°	120.0°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.5°	109.5°
C01	C02	H7	108.5°	109.5°
C03	N04	O05	124.5°	120.0°
N04	C03	H8	117.2°	120.0°
N04	O05	H10	109.5°	114.0°
H4	C01	H5	109.5°	109.4°
H4	C01	H6	109.5°	109.5°
H5	C01	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR9	C08	C10	C07	179.6°	179.5°
BR9	C08	C10	C11	179.9°	180.0°
BR9	C08	C07	C06	179.5°	179.8°
BR9	C08	C10	H2	0.1°	0.0°
BR9	C08	C07	H9	0.5°	0.3°
C08	C10	C11	H2	180.0°	180.0°
C08	C10	C11	C12	0.2°	0.0°
C10	C08	C07	C06	0.1°	0.7°
C08	C10	C11	H1	179.8°	179.8°
C10	C08	C07	H9	179.9°	179.8°
C11	C10	C08	C07	0.2°	0.5°
C10	C11	C12	H1	180.0°	179.8°
C10	C11	C12	C06	0.1°	0.2°
C10	C11	C12	H3	179.9°	179.8°
C08	C07	C06	H9	180.0°	179.5°
C08	C07	C06	C12	0.5°	0.5°
C08	C07	C06	C02	179.6°	179.5°
C07	C08	C10	H2	179.7°	179.5°
C11	C12	C06	C07	0.5°	0.0°
C11	C12	C06	H3	180.0°	180.0°
C11	C12	C06	C02	179.6°	180.0°
C12	C11	C10	H2	179.7°	180.0°
C07	C06	C12	C02	179.9°	180.0°
C07	C06	C02	C03	178.3°	60.0°
C07	C06	C02	C01	57.0°	59.9°
C07	C06	C12	H3	179.5°	180.0°
C07	C06	C02	H7	59.4°	180.0°
C12	C06	C02	C03	1.8°	120.0°
C12	C06	C02	C01	122.9°	120.1°
C06	C12	C11	H1	179.9°	180.0°
C12	C06	C02	H7	120.6°	0.0°
C12	C06	C07	H9	179.5°	179.9°
C06	C02	C03	C01	120.3°	120.0°
C06	C02	C03	H7	118.9°	120.0°
C06	C02	C01	H7	116.4°	120.1°
C06	C02	C03	N04	171.9°	120.0°
C02	C06	C12	H3	0.4°	0.0°
C06	C02	C01	H4	180.0°	180.0°
C06	C02	C01	H5	60.0°	60.0°
C06	C02	C01	H6	60.0°	59.9°
C06	C02	C03	H8	8.1°	59.9°
C02	C06	C07	H9	0.4°	0.1°
C03	C02	C01	H7	120.7°	120.0°
C02	C03	N04	H8	180.0°	179.9°
C02	C03	N04	O05	2.4°	0.0°
C03	C02	C01	H4	57.0°	60.0°
C03	C02	C01	H5	177.0°	180.0°
C03	C02	C01	H6	63.0°	60.0°
C01	C02	C03	N04	67.8°	120.0°
C02	C01	H4	H5	120.0°	120.0°
C02	C01	H4	H6	120.0°	120.1°
C02	C01	H5	H6	120.0°	120.0°
C01	C02	C03	H8	112.2°	60.1°
N04	C03	C02	H7	53.0°	0.0°
C03	N04	O05	H10	180.0°	180.0°
O05	N04	C03	H8	177.6°	180.0°
H1	C11	C10	H2	0.3°	0.2°
H1	C11	C12	H3	0.1°	0.0°
H4	C01	H5	H6	120.0°	120.0°
H4	C01	C02	H7	63.6°	60.0°
H5	C01	C02	H7	56.4°	60.0°
H6	C01	C02	H7	176.4°	180.0°
H7	C02	C03	H8	127.0°	179.9°

Release date:	2022-04-27
Definition date:	2021-06-16
Last modified:	2022-04-22
Release status:	REL
Processing site:	PDBJ
Derived from:	7F30