5G3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C21	doub	1.38Å	1.38Å	Aromatic
C20	C19	sing	1.38Å	1.38Å	Aromatic
C21	C22	sing	1.38Å	1.39Å	Aromatic
C19	C17	doub	1.38Å	1.39Å	Aromatic
C22	C16	doub	1.40Å	1.39Å	Aromatic
C17	C16	sing	1.40Å	1.39Å	Aromatic
C17	CL1	sing	1.74Å	1.74Å
C16	N15	sing	1.37Å	1.42Å
N15	C06	doub	1.32Å	1.32Å
O01	C02	sing	1.36Å	1.41Å
C24	C02	doub	1.39Å	1.39Å	Aromatic
C24	C23	sing	1.38Å	1.39Å	Aromatic
C02	C03	sing	1.39Å	1.39Å	Aromatic
C23	C05	doub	1.40Å	1.39Å	Aromatic
C03	C04	doub	1.38Å	1.39Å	Aromatic
C05	C04	sing	1.40Å	1.39Å	Aromatic
C05	C06	sing	1.48Å	1.52Å
C06	C07	sing	1.48Å	1.52Å
O14	C13	sing	1.36Å	1.41Å
C07	C13	doub	1.40Å	1.39Å	Aromatic
C07	C08	sing	1.40Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.38Å	1.38Å	Aromatic
C12	C10	doub	1.39Å	1.38Å	Aromatic
C09	C10	sing	1.39Å	1.38Å	Aromatic
C10	O11	sing	1.36Å	1.41Å
O01	H1	sing	0.97Å	0.95Å
C03	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
O11	H7	sing	0.97Å	0.95Å
C12	H8	sing	1.08Å	1.08Å
O14	H9	sing	0.97Å	0.95Å
C19	H11	sing	1.08Å	1.08Å
C20	H12	sing	1.08Å	1.08Å
C21	H13	sing	1.08Å	1.08Å
C22	H14	sing	1.08Å	1.08Å
C23	H15	sing	1.08Å	1.08Å
C24	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C20	C19	120.0°	120.3°
C20	C21	C22	119.8°	120.2°
C21	C20	H12	120.0°	119.8°
C20	C21	H13	120.1°	120.0°
C20	C19	C17	120.3°	120.1°
C20	C19	H11	119.8°	119.9°
C19	C20	H12	120.0°	119.9°
C21	C22	C16	120.6°	119.8°
C22	C21	H13	120.1°	119.9°
C21	C22	H14	119.7°	120.1°
C19	C17	C16	120.0°	119.8°
C19	C17	CL1	119.3°	120.1°
C17	C19	H11	119.8°	120.0°
C22	C16	C17	119.3°	119.7°
C22	C16	N15	120.8°	120.2°
C16	C22	H14	119.7°	120.1°
C16	C17	CL1	120.7°	120.1°
C17	C16	N15	119.9°	120.2°
C16	N15	C06	125.0°	120.0°
N15	C06	C05	121.1°	120.0°
N15	C06	C07	119.9°	120.0°
O01	C02	C24	119.9°	119.9°
O01	C02	C03	120.2°	119.9°
C02	O01	H1	109.5°	114.0°
C02	C24	C23	120.1°	120.1°
C24	C02	C03	119.9°	120.2°
C02	C24	H16	119.9°	119.9°
C24	C23	C05	120.3°	119.9°
C24	C23	H15	119.9°	120.1°
C23	C24	H16	119.9°	120.0°
C02	C03	C04	119.8°	120.0°
C02	C03	H2	120.1°	120.0°
C23	C05	C04	119.3°	119.8°
C23	C05	C06	120.5°	120.1°
C05	C23	H15	119.8°	120.0°
C03	C04	C05	120.6°	120.0°
C04	C03	H2	120.1°	120.0°
C03	C04	H3	119.7°	120.0°
C04	C05	C06	120.2°	120.1°
C05	C04	H3	119.7°	120.1°
C05	C06	C07	117.6°	120.0°
C06	C07	C13	122.8°	120.2°
C06	C07	C08	118.0°	120.1°
O14	C13	C07	121.7°	120.2°
O14	C13	C12	118.3°	120.0°
C13	O14	H9	109.5°	114.0°
C13	C07	C08	119.2°	119.8°
C07	C13	C12	120.0°	119.8°
C07	C08	C09	120.7°	119.9°
C07	C08	H5	119.7°	120.1°
C13	C12	C10	120.4°	120.0°
C13	C12	H8	119.8°	120.0°
C08	C09	C10	119.9°	120.2°
C09	C08	H5	119.6°	120.0°
C08	C09	H6	120.0°	119.9°
C12	C10	C09	119.9°	120.3°
C12	C10	O11	120.1°	119.9°
C10	C12	H8	119.8°	120.0°
C09	C10	O11	120.0°	119.8°
C10	C09	H6	120.0°	119.9°
C10	O11	H7	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C20	C19	H12	180.0°	179.6°
C20	C21	C22	H13	180.0°	179.8°
C21	C20	C19	C17	0.3°	0.0°
C20	C21	C22	C16	0.9°	0.5°
C21	C20	C19	H11	179.7°	180.0°
C20	C21	C22	H14	179.1°	180.0°
C19	C20	C21	C22	0.2°	0.3°
C20	C19	C17	H11	180.0°	180.0°
C20	C19	C17	C16	0.2°	0.1°
C20	C19	C17	CL1	180.0°	180.0°
C19	C20	C21	H13	179.8°	179.9°
C21	C22	C16	H14	180.0°	179.5°
C21	C22	C16	C17	1.0°	0.5°
C21	C22	C16	N15	179.8°	179.7°
C22	C21	C20	H12	179.8°	179.9°
C19	C17	C16	C22	0.5°	0.2°
C19	C17	C16	CL1	179.8°	179.9°
C19	C17	C16	N15	179.3°	180.0°
C17	C19	C20	H12	179.7°	179.6°
C22	C16	C17	N15	178.8°	179.8°
C22	C16	C17	CL1	179.3°	179.7°
C22	C16	N15	C06	62.0°	50.1°
C16	C22	C21	H13	179.1°	179.7°
C17	C16	N15	C06	119.2°	129.7°
C16	C17	C19	H11	179.8°	179.9°
C17	C16	C22	H14	179.0°	179.9°
CL1	C17	C16	N15	0.5°	0.1°
CL1	C17	C19	H11	0.0°	0.0°
C16	N15	C06	C05	17.9°	7.4°
C16	N15	C06	C07	175.9°	172.6°
N15	C16	C22	H14	0.2°	0.3°
N15	C06	C05	C23	96.6°	51.3°
N15	C06	C05	C04	83.0°	128.7°
N15	C06	C05	C07	166.5°	179.9°
N15	C06	C07	C13	2.1°	4.9°
N15	C06	C07	C08	177.9°	174.8°
O01	C02	C24	C03	179.9°	179.8°
O01	C02	C24	C23	179.9°	179.8°
O01	C02	C03	C04	180.0°	180.0°
O01	C02	C03	H2	0.0°	0.0°
O01	C02	C24	H16	0.1°	0.1°
C02	C24	C23	H16	180.0°	179.9°
C02	C24	C23	C05	0.3°	0.4°
C24	C02	C03	C04	0.0°	0.2°
C24	C02	O01	H1	180.0°	90.2°
C24	C02	C03	H2	180.0°	179.8°
C02	C24	C23	H15	179.7°	179.8°
C23	C24	C02	C03	0.0°	0.4°
C24	C23	C05	H15	180.0°	179.8°
C24	C23	C05	C04	0.4°	0.2°
C24	C23	C05	C06	180.0°	179.8°
C02	C03	C04	H2	180.0°	180.0°
C02	C03	C04	C05	0.1°	0.0°
C03	C02	O01	H1	0.1°	90.0°
C02	C03	C04	H3	179.9°	180.0°
C03	C02	C24	H16	179.9°	179.7°
C23	C05	C04	C03	0.3°	0.0°
C23	C05	C04	C06	179.6°	180.0°
C23	C05	C06	C07	70.0°	128.6°
C23	C05	C04	H3	179.7°	180.0°
C05	C23	C24	H16	179.7°	179.7°
C03	C04	C05	H3	180.0°	180.0°
C03	C04	C05	C06	179.9°	180.0°
C04	C05	C06	C07	110.5°	51.4°
C05	C04	C03	H2	179.9°	180.0°
C04	C05	C23	H15	179.6°	180.0°
C05	C06	C07	C13	164.6°	175.2°
C05	C06	C07	C08	15.4°	5.1°
C06	C05	C04	H3	0.1°	0.0°
C06	C05	C23	H15	0.0°	0.0°
C06	C07	C13	O14	0.1°	0.0°
C06	C07	C13	C08	180.0°	179.7°
C06	C07	C13	C12	179.9°	179.7°
C06	C07	C08	C09	179.9°	180.0°
C06	C07	C08	H5	0.1°	0.0°
O14	C13	C07	C12	179.8°	179.7°
O14	C13	C07	C08	179.9°	179.7°
O14	C13	C12	C10	180.0°	179.8°
O14	C13	C12	H8	0.1°	0.0°
C13	C07	C08	C09	0.1°	0.3°
C07	C13	C12	C10	0.1°	0.6°
C13	C07	C08	H5	179.9°	179.7°
C07	C13	C12	H8	179.9°	179.7°
C07	C13	O14	H9	180.0°	89.9°
C08	C07	C13	C12	0.1°	0.6°
C07	C08	C09	H5	180.0°	179.9°
C07	C08	C09	C10	0.1°	0.0°
C07	C08	C09	H6	179.9°	180.0°
C13	C12	C10	H8	180.0°	179.7°
C13	C12	C10	C09	0.1°	0.3°
C13	C12	C10	O11	179.9°	179.7°
C12	C13	O14	H9	0.2°	89.8°
C08	C09	C10	C12	0.1°	0.0°
C08	C09	C10	H6	180.0°	180.0°
C08	C09	C10	O11	179.9°	180.0°
C12	C10	C09	O11	179.9°	180.0°
C12	C10	C09	H6	179.9°	180.0°
C12	C10	O11	H7	180.0°	90.0°
C10	C09	C08	H5	179.9°	180.0°
C09	C10	O11	H7	0.1°	90.0°
C09	C10	C12	H8	179.9°	180.0°
O11	C10	C09	H6	0.1°	0.0°
O11	C10	C12	H8	0.1°	0.0°
H2	C03	C04	H3	0.1°	0.0°
H5	C08	C09	H6	0.1°	0.1°
H11	C19	C20	H12	0.3°	0.4°
H12	C20	C21	H13	0.2°	0.3°
H13	C21	C22	H14	0.9°	0.2°
H15	C23	C24	H16	0.3°	0.1°

Release date:	2016-05-04
Definition date:	2015-09-22
Last modified:	2016-04-29
Release status:	REL
Processing site:	RCSB
Derived from:	5DWI