2RF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C05	sing	1.74Å	1.73Å
C06	C05	doub	1.38Å	1.39Å	Aromatic
C06	C01	sing	1.38Å	1.39Å	Aromatic
C05	C04	sing	1.38Å	1.38Å	Aromatic
C01	C02	doub	1.38Å	1.39Å	Aromatic
C04	C03	doub	1.40Å	1.38Å	Aromatic
C02	C03	sing	1.40Å	1.38Å	Aromatic
C03	C08	sing	1.48Å	1.50Å
O14	C13	doub	1.22Å	1.21Å
CL2	C18	sing	1.73Å	1.73Å
C08	C13	sing	1.47Å	1.50Å
C08	C09	doub	1.37Å	1.45Å
C13	N12	sing	1.34Å	1.45Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.37Å	Aromatic
O22	C19	sing	1.36Å	1.40Å
C17	C16	sing	1.39Å	1.38Å	Aromatic
C19	C20	doub	1.39Å	1.38Å	Aromatic
C09	N15	sing	1.38Å	1.41Å
C09	C10	sing	1.48Å	1.48Å
C16	N15	sing	1.40Å	1.41Å
C16	C21	doub	1.39Å	1.38Å	Aromatic
N12	C10	sing	1.34Å	1.45Å
C20	C21	sing	1.38Å	1.37Å	Aromatic
C10	O11	doub	1.21Å	1.21Å
C01	H011	sing	1.08Å	1.08Å
C02	H021	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
N12	H121	sing	0.97Å	1.00Å
N15	H151	sing	0.97Å	1.00Å
C17	H171	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
O22	H221	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C05	C06	120.5°	120.0°
CL1	C05	C04	119.5°	119.9°
C05	C06	C01	119.9°	120.3°
C06	C05	C04	120.0°	120.1°
C05	C06	H061	120.1°	119.8°
C06	C01	C02	120.0°	120.1°
C06	C01	H011	120.0°	120.0°
C01	C06	H061	120.0°	119.8°
C05	C04	C03	120.0°	119.8°
C05	C04	H041	120.0°	120.0°
C01	C02	C03	119.3°	119.9°
C02	C01	H011	120.0°	119.9°
C01	C02	H021	120.3°	120.1°
C04	C03	C02	120.8°	119.7°
C04	C03	C08	116.5°	120.1°
C03	C04	H041	120.0°	120.1°
C02	C03	C08	122.7°	120.2°
C03	C02	H021	120.3°	120.0°
C03	C08	C13	120.5°	126.8°
C03	C08	C09	132.0°	126.8°
O14	C13	C08	126.7°	125.6°
O14	C13	N12	125.2°	125.6°
CL2	C18	C17	120.6°	120.0°
CL2	C18	C19	118.5°	120.0°
C13	C08	C09	107.5°	106.4°
C08	C13	N12	108.0°	108.7°
C08	C09	N15	136.0°	126.8°
C08	C09	C10	107.6°	106.3°
C13	N12	C10	108.4°	110.1°
C13	N12	H121	125.8°	124.9°
C17	C18	C19	120.8°	120.0°
C18	C17	C16	118.1°	120.0°
C18	C17	H171	120.9°	120.0°
C18	C19	O22	120.3°	120.0°
C18	C19	C20	120.7°	120.1°
O22	C19	C20	118.9°	120.0°
C19	O22	H221	109.5°	113.9°
C17	C16	N15	124.5°	120.0°
C17	C16	C21	120.8°	119.9°
C16	C17	H171	120.9°	120.0°
C19	C20	C21	118.7°	120.0°
C19	C20	H201	120.7°	120.0°
N15	C09	C10	116.4°	126.8°
C09	N15	C16	128.4°	120.0°
C09	N15	H151	115.8°	120.0°
C09	C10	N12	108.4°	108.4°
C09	C10	O11	124.4°	125.8°
N15	C16	C21	114.6°	120.0°
C16	N15	H151	115.8°	120.0°
C16	C21	C20	120.8°	120.0°
C16	C21	H211	119.5°	120.0°
N12	C10	O11	127.2°	125.8°
C10	N12	H121	125.8°	124.9°
C21	C20	H201	120.7°	120.0°
C20	C21	H211	119.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C05	C06	C04	179.8°	179.8°
CL1	C05	C06	C01	179.9°	179.7°
CL1	C05	C04	C03	179.4°	180.0°
CL1	C05	C04	H041	0.6°	0.0°
CL1	C05	C06	H061	0.1°	0.2°
C05	C06	C01	H061	180.0°	179.5°
C05	C06	C01	C02	0.1°	0.5°
C06	C05	C04	C03	0.4°	0.2°
C05	C06	C01	H011	179.9°	179.8°
C06	C05	C04	H041	179.6°	179.8°
C01	C06	C05	C04	0.3°	0.5°
C06	C01	C02	H011	180.0°	179.7°
C06	C01	C02	C03	0.8°	0.3°
C06	C01	C02	H021	179.2°	179.8°
C05	C04	C03	H041	180.0°	180.0°
C05	C04	C03	C02	1.3°	0.0°
C05	C04	C03	C08	178.3°	180.0°
C04	C05	C06	H061	179.7°	180.0°
C01	C02	C03	C04	1.5°	0.0°
C01	C02	C03	H021	180.0°	179.9°
C01	C02	C03	C08	178.3°	179.9°
C02	C01	C06	H061	179.9°	180.0°
C04	C03	C02	C08	176.8°	179.9°
C04	C03	C08	C13	94.6°	115.0°
C04	C03	C08	C09	82.0°	64.8°
C04	C03	C02	H021	178.5°	179.9°
C02	C03	C08	C13	82.3°	65.0°
C02	C03	C08	C09	101.1°	115.2°
C03	C02	C01	H011	179.2°	180.0°
C02	C03	C04	H041	178.7°	180.0°
C03	C08	C13	O14	4.5°	0.1°
C03	C08	C13	C09	177.3°	179.8°
C03	C08	C13	N12	178.4°	179.8°
C03	C08	C09	N15	1.3°	0.1°
C03	C08	C09	C10	177.5°	180.0°
C08	C03	C02	H021	1.7°	0.0°
C08	C03	C04	H041	1.7°	0.0°
O14	C13	C08	N12	177.1°	179.9°
O14	C13	C08	C09	178.2°	179.8°
O14	C13	N12	C10	178.3°	179.7°
O14	C13	N12	H121	1.8°	0.0°
CL2	C18	C17	C19	178.1°	180.0°
CL2	C18	C19	O22	2.6°	0.0°
CL2	C18	C17	C16	178.9°	180.0°
CL2	C18	C19	C20	179.7°	180.0°
CL2	C18	C17	H171	1.1°	0.0°
C13	C08	C09	N15	178.2°	179.8°
C13	C08	C09	C10	0.6°	0.2°
C08	C13	N12	C10	1.1°	0.4°
C08	C13	N12	H121	178.9°	179.8°
C09	C08	C13	N12	1.0°	0.4°
C08	C09	N15	C10	178.8°	179.9°
C08	C09	N15	C16	27.8°	122.1°
C08	C09	C10	N12	0.1°	0.1°
C08	C09	C10	O11	179.8°	180.0°
C08	C09	N15	H151	152.2°	57.9°
C13	N12	C10	C09	0.7°	0.3°
C13	N12	C10	H121	180.0°	179.7°
C13	N12	C10	O11	179.5°	179.7°
C17	C18	C19	O22	179.3°	179.9°
C18	C17	C16	H171	180.0°	180.0°
C17	C18	C19	C20	1.6°	0.0°
C18	C17	C16	N15	178.6°	180.0°
C18	C17	C16	C21	0.2°	0.2°
C18	C19	O22	C20	177.7°	179.9°
C19	C18	C17	C16	0.8°	0.0°
C18	C19	C20	C21	1.4°	0.3°
C19	C18	C17	H171	179.2°	180.0°
C18	C19	C20	H201	178.6°	180.0°
C18	C19	O22	H221	180.0°	90.1°
O22	C19	C20	C21	179.1°	179.8°
O22	C19	C20	H201	0.9°	0.1°
C17	C16	N15	C09	16.4°	7.4°
C17	C16	N15	C21	178.5°	179.7°
C17	C16	C21	C20	0.3°	0.5°
C17	C16	N15	H151	163.5°	172.6°
C17	C16	C21	H211	179.7°	179.7°
C19	C20	C21	C16	0.5°	0.5°
C19	C20	C21	H201	180.0°	179.7°
C19	C20	C21	H211	179.5°	179.7°
C20	C19	O22	H221	2.3°	90.0°
C09	N15	C16	H151	180.0°	180.0°
C09	N15	C16	C21	165.0°	172.9°
N15	C09	C10	N12	179.2°	180.0°
N15	C09	C10	O11	1.1°	0.0°
C10	C09	N15	C16	153.4°	58.0°
C09	C10	N12	O11	179.7°	180.0°
C09	C10	N12	H121	179.3°	180.0°
C10	C09	N15	H151	26.5°	122.0°
N15	C16	C21	C20	178.9°	179.8°
N15	C16	C17	H171	1.4°	0.0°
N15	C16	C21	H211	1.1°	0.0°
C16	C21	C20	H211	180.0°	179.8°
C21	C16	N15	H151	15.0°	7.1°
C21	C16	C17	H171	179.8°	179.8°
C16	C21	C20	H201	179.5°	179.8°
O11	C10	N12	H121	0.4°	0.0°
H011	C01	C02	H021	0.8°	0.1°
H011	C01	C06	H061	0.1°	0.2°
H201	C20	C21	H211	0.5°	0.0°

Release date:	2014-03-05
Definition date:	2014-01-13
Last modified:	2014-02-28
Release status:	REL
Processing site:	RCSB
Derived from:	4O7A