5J2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	sing	1.36Å	1.41Å
C09	C08	doub	1.38Å	1.39Å	Aromatic
C09	C10	sing	1.39Å	1.38Å	Aromatic
C03	C02	doub	1.39Å	1.38Å	Aromatic
C03	C04	sing	1.38Å	1.39Å	Aromatic
O11	C10	sing	1.36Å	1.41Å
C02	C24	sing	1.39Å	1.39Å	Aromatic
C08	C07	sing	1.40Å	1.39Å	Aromatic
C10	C12	doub	1.39Å	1.38Å	Aromatic
C04	C05	doub	1.40Å	1.39Å	Aromatic
C24	C23	doub	1.38Å	1.38Å	Aromatic
C05	C23	sing	1.40Å	1.38Å	Aromatic
C05	C06	sing	1.48Å	1.51Å
C07	C06	sing	1.48Å	1.52Å
C07	C13	doub	1.40Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C06	N15	doub	1.32Å	1.31Å
C13	O14	sing	1.36Å	1.41Å
N15	C16	sing	1.37Å	1.42Å
C16	C17	doub	1.40Å	1.39Å	Aromatic
C16	C22	sing	1.40Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C22	C21	doub	1.38Å	1.38Å	Aromatic
C18	C19	doub	1.39Å	1.39Å	Aromatic
C21	C19	sing	1.39Å	1.39Å	Aromatic
C19	F20	sing	1.35Å	1.34Å
O01	H1	sing	0.97Å	0.95Å
C03	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.08Å	1.08Å
O11	H6	sing	0.97Å	0.95Å
C12	H7	sing	1.08Å	1.08Å
O14	H8	sing	0.97Å	0.95Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C21	H11	sing	1.08Å	1.08Å
C22	H12	sing	1.08Å	1.08Å
C23	H13	sing	1.08Å	1.08Å
C24	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	120.1°	120.0°
O01	C02	C24	119.7°	119.9°
C02	O01	H1	109.5°	114.0°
C08	C09	C10	119.9°	120.3°
C09	C08	C07	120.1°	120.0°
C09	C08	H4	120.0°	120.1°
C08	C09	H5	120.0°	119.9°
C09	C10	O11	120.6°	119.9°
C09	C10	C12	120.1°	120.2°
C10	C09	H5	120.1°	119.9°
C02	C03	C04	120.0°	120.1°
C03	C02	C24	120.1°	120.1°
C02	C03	H2	120.0°	119.9°
C03	C04	C05	119.8°	119.9°
C04	C03	H2	120.0°	120.0°
C03	C04	H3	120.1°	120.1°
O11	C10	C12	119.2°	119.9°
C10	O11	H6	109.5°	114.0°
C02	C24	C23	119.9°	120.1°
C02	C24	H14	120.1°	119.9°
C08	C07	C06	119.8°	120.1°
C08	C07	C13	119.7°	119.7°
C07	C08	H4	119.9°	120.0°
C10	C12	C13	120.1°	120.0°
C10	C12	H7	120.0°	120.0°
C04	C05	C23	120.1°	119.8°
C04	C05	C06	120.6°	120.1°
C05	C04	H3	120.1°	120.0°
C24	C23	C05	120.0°	119.9°
C24	C23	H13	120.0°	120.0°
C23	C24	H14	120.0°	120.0°
C23	C05	C06	119.2°	120.1°
C05	C23	H13	120.0°	120.0°
C05	C06	C07	119.0°	120.0°
C05	C06	N15	121.7°	120.0°
C06	C07	C13	120.5°	120.1°
C07	C06	N15	119.2°	120.0°
C07	C13	C12	120.1°	119.8°
C07	C13	O14	121.9°	120.1°
C12	C13	O14	118.0°	120.1°
C13	C12	H7	119.9°	120.0°
C06	N15	C16	126.3°	120.0°
C13	O14	H8	109.5°	114.0°
N15	C16	C17	119.0°	120.2°
N15	C16	C22	121.3°	120.1°
C17	C16	C22	119.7°	119.7°
C16	C17	C18	120.1°	119.9°
C16	C17	H9	120.0°	120.0°
C16	C22	C21	120.2°	119.8°
C16	C22	H12	119.9°	120.1°
C17	C18	C19	120.1°	120.1°
C18	C17	H9	119.9°	120.1°
C17	C18	H10	120.0°	119.9°
C22	C21	C19	120.0°	120.2°
C22	C21	H11	120.0°	119.9°
C21	C22	H12	119.9°	120.1°
C18	C19	C21	119.9°	120.3°
C18	C19	F20	120.0°	119.8°
C19	C18	H10	120.0°	120.0°
C21	C19	F20	120.0°	119.9°
C19	C21	H11	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	C24	180.0°	179.7°
O01	C02	C03	C04	179.9°	180.0°
O01	C02	C24	C23	180.0°	179.8°
O01	C02	C03	H2	0.1°	0.0°
O01	C02	C24	H14	0.0°	0.1°
C08	C09	C10	H5	180.0°	179.9°
C08	C09	C10	O11	180.0°	180.0°
C09	C08	C07	H4	180.0°	180.0°
C08	C09	C10	C12	0.1°	0.0°
C09	C08	C07	C06	179.7°	180.0°
C09	C08	C07	C13	0.5°	0.3°
C09	C10	O11	C12	179.8°	180.0°
C10	C09	C08	C07	0.2°	0.0°
C09	C10	C12	C13	0.2°	0.3°
C10	C09	C08	H4	179.8°	180.0°
C09	C10	O11	H6	180.0°	89.9°
C09	C10	C12	H7	179.8°	179.9°
C02	C03	C04	H2	180.0°	180.0°
C02	C03	C04	C05	0.0°	0.0°
C03	C02	C24	C23	0.0°	0.5°
C03	C02	O01	H1	180.0°	89.6°
C02	C03	C04	H3	180.0°	179.9°
C03	C02	C24	H14	180.0°	179.7°
C04	C03	C02	C24	0.1°	0.3°
C03	C04	C05	H3	180.0°	179.9°
C03	C04	C05	C23	0.2°	0.0°
C03	C04	C05	C06	179.6°	180.0°
O11	C10	C12	C13	180.0°	179.7°
O11	C10	C09	H5	0.1°	0.0°
O11	C10	C12	H7	0.0°	0.1°
C02	C24	C23	H14	180.0°	179.8°
C02	C24	C23	C05	0.2°	0.5°
C24	C02	O01	H1	0.0°	90.1°
C24	C02	C03	H2	179.9°	179.7°
C02	C24	C23	H13	179.8°	179.7°
C08	C07	C06	C05	17.1°	6.0°
C08	C07	C06	C13	179.2°	179.7°
C08	C07	C13	C12	0.5°	0.5°
C08	C07	C06	N15	163.7°	174.0°
C08	C07	C13	O14	179.8°	179.7°
C07	C08	C09	H5	179.8°	180.0°
C10	C12	C13	C07	0.1°	0.5°
C10	C12	C13	H7	180.0°	179.7°
C10	C12	C13	O14	179.9°	179.7°
C12	C10	C09	H5	179.9°	180.0°
C12	C10	O11	H6	0.2°	90.1°
C04	C05	C23	C24	0.3°	0.3°
C04	C05	C23	C06	179.4°	180.0°
C04	C05	C06	C07	116.3°	135.9°
C04	C05	C06	N15	64.5°	44.2°
C05	C04	C03	H2	180.0°	180.0°
C04	C05	C23	H13	179.7°	180.0°
C24	C23	C05	H13	180.0°	179.8°
C24	C23	C05	C06	179.7°	179.7°
C23	C05	C06	C07	64.3°	44.1°
C23	C05	C06	N15	114.9°	135.8°
C23	C05	C04	H3	179.8°	179.9°
C05	C23	C24	H14	179.7°	179.7°
C05	C06	C07	N15	179.2°	180.0°
C05	C06	C07	C13	162.1°	173.7°
C05	C06	N15	C16	0.2°	6.7°
C06	C05	C04	H3	0.4°	0.1°
C06	C05	C23	H13	0.3°	0.1°
C06	C07	C13	C12	179.6°	179.8°
C06	C07	C13	O14	0.6°	0.0°
C07	C06	N15	C16	179.4°	173.3°
C06	C07	C08	H4	0.3°	0.1°
C07	C13	C12	O14	179.8°	179.8°
C13	C07	C06	N15	17.1°	6.3°
C13	C07	C08	H4	179.5°	179.8°
C07	C13	C12	H7	179.9°	179.8°
C07	C13	O14	H8	180.0°	90.0°
C12	C13	O14	H8	0.2°	89.8°
C06	N15	C16	C17	131.3°	122.8°
C06	N15	C16	C22	50.4°	57.5°
O14	C13	C12	H7	0.1°	0.0°
N15	C16	C17	C22	178.3°	179.7°
N15	C16	C17	C18	179.3°	180.0°
N15	C16	C22	C21	179.6°	179.7°
N15	C16	C17	H9	0.7°	0.0°
N15	C16	C22	H12	0.4°	0.0°
C16	C17	C18	H9	180.0°	180.0°
C17	C16	C22	C21	1.3°	0.6°
C16	C17	C18	C19	0.4°	0.0°
C16	C17	C18	H10	179.6°	180.0°
C17	C16	C22	H12	178.7°	179.7°
C22	C16	C17	C18	1.0°	0.2°
C16	C22	C21	H12	180.0°	179.7°
C16	C22	C21	C19	0.9°	0.6°
C22	C16	C17	H9	179.0°	179.7°
C16	C22	C21	H11	179.1°	179.7°
C17	C18	C19	H10	180.0°	179.9°
C17	C18	C19	C21	0.0°	0.0°
C17	C18	C19	F20	180.0°	180.0°
C22	C21	C19	C18	0.3°	0.3°
C22	C21	C19	H11	180.0°	179.7°
C22	C21	C19	F20	179.8°	179.7°
C18	C19	C21	F20	180.0°	180.0°
C19	C18	C17	H9	179.6°	180.0°
C18	C19	C21	H11	179.8°	180.0°
C21	C19	C18	H10	180.0°	179.9°
C19	C21	C22	H12	179.1°	179.7°
F20	C19	C18	H10	0.0°	0.0°
F20	C19	C21	H11	0.2°	0.0°
H2	C03	C04	H3	0.0°	0.1°
H4	C08	C09	H5	0.2°	0.0°
H9	C17	C18	H10	0.4°	0.1°
H11	C21	C22	H12	0.9°	0.0°
H13	C23	C24	H14	0.2°	0.1°

Release date:	2016-05-04
Definition date:	2015-09-28
Last modified:	2016-04-29
Release status:	REL
Processing site:	RCSB
Derived from:	5DWJ