GID

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	N10	doub	1.22Å	1.40Å
N10	O12	sing	1.22Å	1.17Å
N10	C05	sing	1.48Å	1.44Å
C04	C05	doub	1.36Å	1.39Å	Aromatic
C04	C09	sing	1.40Å	1.40Å	Aromatic
C05	C06	sing	1.39Å	1.39Å	Aromatic
C09	C03	sing	1.42Å	1.41Å	Aromatic
C09	C08	doub	1.41Å	1.38Å	Aromatic
C03	C02	doub	1.36Å	1.39Å	Aromatic
C06	C07	doub	1.38Å	1.38Å	Aromatic
O15	C13	doub	1.22Å	1.26Å
C08	C07	sing	1.39Å	1.40Å	Aromatic
C08	N01	sing	1.37Å	1.33Å	Aromatic
C02	C13	sing	1.47Å	1.52Å
C02	N01	sing	1.38Å	1.32Å	Aromatic
C13	O14	sing	1.35Å	1.26Å
C03	H1	sing	1.08Å	1.08Å
C04	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
O14	H4	sing	0.97Å	0.95Å
C07	H5	sing	1.08Å	1.08Å
N01	H6	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	N10	O12	120.9°	120.0°
O11	N10	C05	121.1°	120.0°
O12	N10	C05	117.9°	120.0°
N10	C05	C04	120.4°	119.7°
N10	C05	C06	118.5°	119.7°
C05	C04	C09	119.1°	119.8°
C04	C05	C06	121.0°	120.6°
C05	C04	H2	120.5°	120.1°
C04	C09	C03	134.1°	133.4°
C04	C09	C08	119.9°	119.7°
C09	C04	H2	120.4°	120.1°
C05	C06	C07	119.9°	120.6°
C05	C06	H3	120.0°	119.6°
C03	C09	C08	106.0°	107.0°
C09	C03	C02	105.9°	107.8°
C09	C03	H1	127.1°	126.2°
C09	C08	C07	120.8°	119.4°
C09	C08	N01	109.3°	107.4°
C03	C02	C13	126.4°	125.5°
C03	C02	N01	109.3°	109.1°
C02	C03	H1	127.0°	126.1°
C06	C07	C08	119.3°	119.9°
C07	C06	H3	120.1°	119.7°
C06	C07	H5	120.3°	120.1°
O15	C13	C02	120.9°	120.0°
O15	C13	O14	120.4°	120.0°
C07	C08	N01	129.9°	133.2°
C08	C07	H5	120.4°	120.1°
C08	N01	C02	109.5°	108.8°
C08	N01	H6	125.2°	125.6°
C13	C02	N01	124.3°	125.4°
C02	C13	O14	118.7°	120.0°
C02	N01	H6	125.2°	125.6°
C13	O14	H4	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	N10	O12	C05	177.3°	180.0°
O11	N10	C05	C04	12.7°	180.0°
O11	N10	C05	C06	170.7°	0.1°
O12	N10	C05	C04	164.6°	0.0°
O12	N10	C05	C06	12.0°	179.9°
N10	C05	C04	C06	176.5°	179.9°
N10	C05	C04	C09	178.2°	180.0°
N10	C05	C06	C07	177.5°	180.0°
N10	C05	C04	H2	1.8°	0.1°
N10	C05	C06	H3	2.6°	0.1°
C05	C04	C09	H2	180.0°	179.9°
C05	C04	C09	C03	180.0°	180.0°
C05	C04	C09	C08	1.2°	0.1°
C04	C05	C06	C07	0.9°	0.0°
C04	C05	C06	H3	179.1°	180.0°
C09	C04	C05	C06	1.7°	0.1°
C04	C09	C03	C08	179.0°	179.9°
C04	C09	C03	C02	178.7°	180.0°
C04	C09	C08	C07	0.1°	0.0°
C04	C09	C08	N01	179.9°	179.8°
C04	C09	C03	H1	1.3°	0.1°
C05	C06	C07	H3	180.0°	180.0°
C05	C06	C07	C08	0.4°	0.0°
C06	C05	C04	H2	178.3°	180.0°
C05	C06	C07	H5	179.7°	180.0°
C09	C03	C02	H1	180.0°	179.9°
C03	C09	C08	C07	179.1°	180.0°
C03	C09	C08	N01	1.0°	0.2°
C09	C03	C02	C13	179.9°	180.0°
C09	C03	C02	N01	1.5°	0.3°
C03	C09	C04	H2	0.0°	0.1°
C08	C09	C03	C02	0.3°	0.1°
C09	C08	C07	C06	0.9°	0.0°
C09	C08	C07	N01	179.9°	179.8°
C09	C08	N01	C02	2.0°	0.3°
C08	C09	C03	H1	179.7°	180.0°
C08	C09	C04	H2	178.8°	180.0°
C09	C08	C07	H5	179.2°	180.0°
C09	C08	N01	H6	178.0°	179.8°
C03	C02	C13	O15	8.9°	0.3°
C03	C02	N01	C08	2.2°	0.4°
C03	C02	C13	N01	178.4°	179.7°
C03	C02	C13	O14	171.2°	179.7°
C03	C02	N01	H6	177.8°	179.8°
C06	C07	C08	H5	180.0°	180.0°
C06	C07	C08	N01	179.1°	179.8°
O15	C13	C02	O14	180.0°	180.0°
O15	C13	C02	N01	169.5°	180.0°
O15	C13	O14	H4	0.0°	0.0°
C07	C08	N01	C02	178.1°	179.9°
C08	C07	C06	H3	179.6°	180.0°
C07	C08	N01	H6	1.9°	0.0°
C08	N01	C02	C13	179.2°	179.9°
C08	N01	C02	H6	180.0°	179.9°
N01	C08	C07	H5	0.9°	0.2°
C13	C02	C03	H1	0.1°	0.1°
C02	C13	O14	H4	180.0°	180.0°
C13	C02	N01	H6	0.8°	0.0°
N01	C02	C13	O14	10.5°	0.0°
N01	C02	C03	H1	178.5°	179.8°
H3	C06	C07	H5	0.4°	0.0°

Release date:	2022-12-21
Definition date:	2022-01-14
Last modified:	2022-12-16
Release status:	REL
Processing site:	RCSB
Derived from:	7TC2