V6V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR14	C06	sing	1.89Å	1.94Å
C06	C05	doub	1.37Å	1.52Å	Aromatic
C06	C01	sing	1.39Å	1.48Å	Aromatic
C05	C04	sing	1.40Å	1.58Å	Aromatic
C01	C02	doub	1.38Å	1.48Å	Aromatic
C04	C09	sing	1.42Å	1.38Å	Aromatic
C04	C03	doub	1.41Å	1.37Å	Aromatic
C10	C09	sing	1.51Å	1.53Å
C02	C03	sing	1.39Å	1.56Å	Aromatic
C09	C08	doub	1.36Å	1.41Å	Aromatic
C03	N07	sing	1.37Å	1.35Å	Aromatic
N07	C08	sing	1.38Å	1.35Å	Aromatic
C08	C11	sing	1.47Å	1.53Å
O12	C11	doub	1.22Å	1.27Å
C11	O13	sing	1.35Å	1.28Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.08Å	1.08Å
C02	H5	sing	1.08Å	1.08Å
C05	H6	sing	1.08Å	1.08Å
N07	H7	sing	0.97Å	1.00Å
O13	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR14	C06	C05	121.6°	119.7°
BR14	C06	C01	117.1°	119.7°
C05	C06	C01	121.2°	120.6°
C06	C05	C04	119.6°	119.8°
C06	C05	H6	120.2°	120.1°
C06	C01	C02	117.6°	120.6°
C06	C01	H4	121.2°	119.7°
C05	C04	C09	135.2°	133.4°
C05	C04	C03	117.8°	119.7°
C04	C05	H6	120.2°	120.1°
C01	C02	C03	121.3°	119.9°
C02	C01	H4	121.2°	119.7°
C01	C02	H5	119.3°	120.1°
C09	C04	C03	107.0°	106.9°
C04	C09	C10	125.7°	126.1°
C04	C09	C08	107.2°	107.8°
C04	C03	C02	122.4°	119.4°
C04	C03	N07	109.2°	107.4°
C10	C09	C08	127.1°	126.1°
C09	C10	H1	109.5°	109.4°
C09	C10	H2	109.5°	109.5°
C09	C10	H3	109.4°	109.4°
C02	C03	N07	128.4°	133.2°
C03	C02	H5	119.4°	120.1°
C09	C08	N07	107.4°	109.1°
C09	C08	C11	133.5°	125.4°
C03	N07	C08	109.1°	108.8°
C03	N07	H7	125.5°	125.6°
N07	C08	C11	119.0°	125.4°
C08	N07	H7	125.5°	125.6°
C08	C11	O12	120.9°	120.0°
C08	C11	O13	117.3°	120.0°
O12	C11	O13	121.8°	120.0°
C11	O13	H8	109.5°	117.0°
H1	C10	H2	109.5°	109.5°
H1	C10	H3	109.5°	109.5°
H2	C10	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR14	C06	C05	C01	178.3°	179.5°
BR14	C06	C05	C04	179.9°	180.0°
BR14	C06	C01	C02	178.3°	180.0°
BR14	C06	C01	H4	1.7°	0.2°
BR14	C06	C05	H6	0.1°	0.2°
C06	C05	C04	H6	180.0°	179.8°
C05	C06	C01	C02	3.3°	0.5°
C06	C05	C04	C09	179.9°	179.7°
C06	C05	C04	C03	0.0°	0.2°
C05	C06	C01	H4	176.7°	179.7°
C01	C06	C05	C04	1.6°	0.5°
C06	C01	C02	H4	180.0°	179.8°
C06	C01	C02	C03	3.6°	0.2°
C06	C01	C02	H5	176.4°	179.8°
C01	C06	C05	H6	178.4°	179.7°
C05	C04	C09	C03	179.9°	180.0°
C05	C04	C09	C10	0.5°	0.0°
C05	C04	C03	C02	0.3°	0.0°
C05	C04	C09	C08	179.6°	180.0°
C05	C04	C03	N07	179.9°	180.0°
C01	C02	C03	C04	2.2°	0.0°
C01	C02	C03	H5	180.0°	180.0°
C01	C02	C03	N07	178.3°	180.0°
C04	C09	C10	C08	178.9°	180.0°
C09	C04	C03	C02	179.8°	180.0°
C09	C04	C03	N07	0.1°	0.0°
C04	C09	C08	N07	0.6°	0.0°
C04	C09	C08	C11	178.8°	180.0°
C04	C09	C10	H1	90.5°	89.9°
C04	C09	C10	H2	149.5°	150.0°
C04	C09	C10	H3	29.5°	30.0°
C09	C04	C05	H6	0.1°	0.1°
C03	C04	C09	C10	179.6°	180.0°
C04	C03	C02	N07	179.6°	180.0°
C03	C04	C09	C08	0.5°	0.0°
C04	C03	N07	C08	0.2°	0.0°
C04	C03	C02	H5	177.8°	180.0°
C03	C04	C05	H6	180.0°	180.0°
C04	C03	N07	H7	179.8°	180.0°
C10	C09	C08	N07	179.7°	180.0°
C10	C09	C08	C11	2.1°	0.0°
C09	C10	H1	H2	120.0°	120.0°
C09	C10	H1	H3	120.0°	119.9°
C09	C10	H2	H3	120.0°	120.0°
C02	C03	N07	C08	179.4°	180.0°
C03	C02	C01	H4	176.4°	179.9°
C02	C03	N07	H7	0.6°	0.0°
C09	C08	N07	C03	0.5°	0.0°
C09	C08	N07	C11	178.5°	180.0°
C09	C08	C11	O12	4.6°	0.0°
C09	C08	C11	O13	178.1°	180.0°
C08	C09	C10	H1	90.5°	90.1°
C08	C09	C10	H2	29.5°	30.0°
C08	C09	C10	H3	149.5°	150.0°
C09	C08	N07	H7	179.5°	180.0°
C03	N07	C08	H7	180.0°	180.0°
C03	N07	C08	C11	179.0°	180.0°
N07	C03	C02	H5	1.8°	0.1°
N07	C08	C11	O12	173.4°	180.0°
N07	C08	C11	O13	3.9°	0.0°
C08	C11	O12	O13	177.2°	180.0°
C11	C08	N07	H7	1.0°	0.0°
C08	C11	O13	H8	177.3°	180.0°
O12	C11	O13	H8	0.0°	0.0°
H1	C10	H2	H3	120.0°	120.0°
H4	C01	C02	H5	3.6°	0.0°

Release date:	2021-07-14
Definition date:	2020-07-09
Last modified:	2021-07-09
Release status:	REL
Processing site:	RCSB
Derived from:	6XQ7