8NU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C15	sing	1.35Å	0.00Å	Aromatic
O14	N13	sing	1.41Å	0.00Å	Aromatic
C21	C15	doub	1.39Å	0.00Å	Aromatic
C21	C19	sing	1.38Å	0.00Å	Aromatic
C15	C16	sing	1.41Å	0.00Å	Aromatic
N13	C12	doub	1.30Å	0.00Å	Aromatic
F20	C19	sing	1.35Å	0.00Å
C19	C18	doub	1.39Å	0.00Å	Aromatic
C12	C16	sing	1.47Å	0.00Å	Aromatic
C12	C09	sing	1.51Å	0.00Å
C16	C17	doub	1.40Å	0.00Å	Aromatic
C10	C09	sing	1.53Å	0.00Å
C10	C11	sing	1.53Å	0.00Å
C18	C17	sing	1.37Å	0.00Å	Aromatic
C09	C08	sing	1.53Å	0.00Å
C11	N06	sing	1.47Å	0.00Å
C08	C07	sing	1.53Å	0.00Å
O23	C22	doub	1.22Å	0.00Å
N06	C07	sing	1.47Å	0.00Å
N06	C05	sing	1.47Å	0.00Å
C05	C04	sing	1.53Å	0.00Å
C04	C03	sing	1.51Å	0.00Å
C22	C03	sing	1.41Å	0.00Å
C22	N24	sing	1.36Å	0.00Å
C25	N24	sing	1.46Å	0.00Å
C25	C26	sing	1.53Å	0.00Å
C03	C02	doub	1.36Å	0.00Å
N24	C29	sing	1.34Å	0.00Å
C26	C27	sing	1.53Å	0.00Å
C02	N30	sing	1.33Å	0.00Å
C02	C01	sing	1.51Å	0.00Å
C29	N30	doub	1.32Å	0.00Å
C29	C28	sing	1.51Å	0.00Å
C27	C28	sing	1.53Å	0.00Å
C01	H1	sing	1.09Å	0.00Å
C01	H2	sing	1.09Å	0.00Å
C01	H3	sing	1.09Å	0.00Å
C04	H4	sing	1.09Å	0.00Å
C04	H5	sing	1.09Å	0.00Å
C05	H6	sing	1.09Å	0.00Å
C05	H7	sing	1.09Å	0.00Å
C07	H8	sing	1.09Å	0.00Å
C07	H9	sing	1.09Å	0.00Å
C08	H10	sing	1.09Å	0.00Å
C08	H11	sing	1.09Å	0.00Å
C09	H12	sing	1.09Å	0.00Å
C10	H13	sing	1.09Å	0.00Å
C10	H14	sing	1.09Å	0.00Å
C11	H15	sing	1.09Å	0.00Å
C11	H16	sing	1.09Å	0.00Å
C17	H17	sing	1.08Å	0.00Å
C18	H18	sing	1.08Å	0.00Å
C21	H19	sing	1.08Å	0.00Å
C25	H20	sing	1.09Å	0.00Å
C25	H21	sing	1.09Å	0.00Å
C26	H22	sing	1.09Å	0.00Å
C26	H23	sing	1.09Å	0.00Å
C27	H24	sing	1.09Å	0.00Å
C27	H25	sing	1.09Å	0.00Å
C28	H26	sing	1.09Å	0.00Å
C28	H27	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	O14	N13	90.0°	109.3°
O14	C15	C21	90.0°	133.5°
O14	C15	C16	90.0°	107.1°
O14	N13	C12	90.0°	109.8°
C15	C21	C19	90.0°	119.8°
C21	C15	C16	90.0°	119.4°
C15	C21	H19	90.0°	120.1°
C21	C19	F20	90.0°	119.7°
C21	C19	C18	90.0°	120.6°
C19	C21	H19	90.0°	120.1°
C15	C16	C12	90.0°	106.4°
C15	C16	C17	90.0°	119.9°
N13	C12	C16	90.0°	107.4°
N13	C12	C09	90.0°	126.3°
F20	C19	C18	90.0°	119.7°
C19	C18	C17	90.0°	120.5°
C19	C18	H18	90.0°	119.8°
C16	C12	C09	90.0°	126.2°
C12	C16	C17	90.0°	133.8°
C12	C09	C10	90.0°	109.6°
C12	C09	C08	90.0°	109.5°
C12	C09	H12	90.0°	109.6°
C16	C17	C18	90.0°	119.9°
C16	C17	H17	90.0°	120.0°
C09	C10	C11	90.0°	109.3°
C10	C09	C08	90.0°	109.2°
C10	C09	H12	90.0°	109.5°
C09	C10	H13	90.0°	109.5°
C09	C10	H14	90.0°	109.5°
C10	C11	N06	90.0°	109.5°
C11	C10	H13	90.0°	109.5°
C11	C10	H14	90.0°	109.5°
C10	C11	H15	90.0°	109.5°
C10	C11	H16	90.0°	109.5°
C18	C17	H17	90.0°	120.1°
C17	C18	H18	90.0°	119.8°
C09	C08	C07	90.0°	109.3°
C09	C08	H10	90.0°	109.5°
C09	C08	H11	90.0°	109.5°
C08	C09	H12	90.0°	109.5°
C11	N06	C07	90.0°	111.2°
C11	N06	C05	90.0°	111.0°
N06	C11	H15	90.0°	109.5°
N06	C11	H16	90.0°	109.5°
C08	C07	N06	90.0°	109.5°
C08	C07	H8	90.0°	109.5°
C08	C07	H9	90.0°	109.4°
C07	C08	H10	90.0°	109.5°
C07	C08	H11	90.0°	109.5°
O23	C22	C03	90.0°	120.3°
O23	C22	N24	90.0°	120.4°
C07	N06	C05	90.0°	111.0°
N06	C07	H8	90.0°	109.5°
N06	C07	H9	90.0°	109.5°
N06	C05	C04	90.0°	109.5°
N06	C05	H6	90.0°	109.5°
N06	C05	H7	90.0°	109.5°
C05	C04	C03	90.0°	109.5°
C05	C04	H4	90.0°	109.5°
C05	C04	H5	90.0°	109.5°
C04	C05	H6	90.0°	109.4°
C04	C05	H7	90.0°	109.5°
C04	C03	C22	90.0°	120.9°
C04	C03	C02	90.0°	120.9°
C03	C04	H4	90.0°	109.4°
C03	C04	H5	90.0°	109.4°
C03	C22	N24	90.0°	119.4°
C22	C03	C02	90.0°	118.2°
C22	N24	C25	90.0°	116.8°
C22	N24	C29	90.0°	119.7°
N24	C25	C26	90.0°	111.2°
C25	N24	C29	90.0°	123.6°
N24	C25	H20	90.0°	109.2°
N24	C25	H21	90.0°	109.1°
C25	C26	C27	90.0°	108.2°
C26	C25	H20	90.0°	109.1°
C26	C25	H21	90.0°	109.1°
C25	C26	H22	90.0°	109.8°
C25	C26	H23	90.0°	109.7°
C03	C02	N30	90.0°	119.6°
C03	C02	C01	90.0°	120.2°
N24	C29	N30	90.0°	120.6°
N24	C29	C28	90.0°	122.7°
C26	C27	C28	90.0°	108.0°
C27	C26	H22	90.0°	109.7°
C27	C26	H23	90.0°	109.7°
C26	C27	H24	90.0°	109.7°
C26	C27	H25	90.0°	109.7°
N30	C02	C01	90.0°	120.2°
C02	N30	C29	90.0°	122.6°
C02	C01	H1	90.0°	109.4°
C02	C01	H2	90.0°	109.5°
C02	C01	H3	90.0°	109.5°
N30	C29	C28	90.0°	116.6°
C29	C28	C27	90.0°	110.6°
C29	C28	H26	90.0°	109.3°
C29	C28	H27	90.0°	109.2°
C28	C27	H24	90.0°	109.8°
C28	C27	H25	90.0°	109.7°
C27	C28	H26	90.0°	109.2°
C27	C28	H27	90.0°	109.3°
H1	C01	H2	90.0°	109.5°
H1	C01	H3	90.0°	109.4°
H2	C01	H3	90.0°	109.6°
H4	C04	H5	90.0°	109.5°
H6	C05	H7	90.0°	109.5°
H8	C07	H9	90.0°	109.5°
H10	C08	H11	90.0°	109.5°
H13	C10	H14	90.0°	109.6°
H15	C11	H16	90.0°	109.4°
H20	C25	H21	90.0°	109.1°
H22	C26	H23	90.0°	109.7°
H24	C27	H25	90.0°	109.8°
H26	C28	H27	90.0°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C15	C21	C16	90.0°	179.5°
O14	C15	C21	C19	90.0°	179.5°
C15	O14	N13	C12	90.0°	0.3°
O14	C15	C16	C12	90.0°	0.4°
O14	C15	C16	C17	90.0°	179.6°
O14	C15	C21	H19	90.0°	0.4°
N13	O14	C15	C21	90.0°	180.0°
N13	O14	C15	C16	90.0°	0.4°
O14	N13	C12	C16	90.0°	0.0°
O14	N13	C12	C09	90.0°	179.7°
C15	C21	C19	H19	90.0°	179.9°
C15	C21	C19	F20	90.0°	180.0°
C15	C21	C19	C18	90.0°	0.0°
C21	C15	C16	C12	90.0°	179.9°
C21	C15	C16	C17	90.0°	0.0°
C19	C21	C15	C16	90.0°	0.0°
C21	C19	F20	C18	90.0°	180.0°
C21	C19	C18	C17	90.0°	0.1°
C21	C19	C18	H18	90.0°	180.0°
C15	C16	C12	N13	90.0°	0.2°
C15	C16	C12	C17	90.0°	179.9°
C15	C16	C12	C09	90.0°	180.0°
C15	C16	C17	C18	90.0°	0.0°
C15	C16	C17	H17	90.0°	180.0°
C16	C15	C21	H19	90.0°	180.0°
N13	C12	C16	C09	90.0°	179.7°
N13	C12	C16	C17	90.0°	179.8°
N13	C12	C09	C10	90.0°	59.4°
N13	C12	C09	C08	90.0°	60.3°
N13	C12	C09	H12	90.0°	179.6°
F20	C19	C18	C17	90.0°	180.0°
F20	C19	C18	H18	90.0°	0.1°
F20	C19	C21	H19	90.0°	0.0°
C19	C18	C17	C16	90.0°	0.1°
C19	C18	C17	H18	90.0°	179.9°
C19	C18	C17	H17	90.0°	179.9°
C18	C19	C21	H19	90.0°	179.9°
C16	C12	C09	C10	90.0°	120.3°
C12	C16	C17	C18	90.0°	180.0°
C16	C12	C09	C08	90.0°	120.0°
C16	C12	C09	H12	90.0°	0.1°
C12	C16	C17	H17	90.0°	0.0°
C09	C12	C16	C17	90.0°	0.1°
C12	C09	C10	C08	90.0°	120.0°
C12	C09	C10	H12	90.0°	120.2°
C12	C09	C10	C11	90.0°	177.6°
C12	C09	C08	H12	90.0°	120.2°
C12	C09	C08	C07	90.0°	177.6°
C12	C09	C08	H10	90.0°	57.7°
C12	C09	C08	H11	90.0°	62.4°
C12	C09	C10	H13	90.0°	57.7°
C12	C09	C10	H14	90.0°	62.5°
C16	C17	C18	H17	90.0°	180.0°
C16	C17	C18	H18	90.0°	180.0°
C09	C10	C11	H13	90.0°	119.9°
C09	C10	C11	H14	90.0°	120.0°
C10	C09	C08	H12	90.0°	119.8°
C09	C10	C11	N06	90.0°	59.1°
C10	C09	C08	C07	90.0°	57.7°
C10	C09	C08	H10	90.0°	62.3°
C10	C09	C08	H11	90.0°	177.6°
C09	C10	H13	H14	90.0°	120.1°
C09	C10	C11	H15	90.0°	179.2°
C09	C10	C11	H16	90.0°	60.9°
C11	C10	C09	C08	90.0°	57.6°
C10	C11	N06	H15	90.0°	120.0°
C10	C11	N06	H16	90.0°	120.0°
C10	C11	N06	C07	90.0°	61.8°
C10	C11	N06	C05	90.0°	174.2°
C11	C10	C09	H12	90.0°	62.2°
C11	C10	H13	H14	90.0°	120.1°
C10	C11	H15	H16	90.0°	119.9°
C09	C08	C07	H10	90.0°	120.0°
C09	C08	C07	H11	90.0°	119.9°
C09	C08	C07	N06	90.0°	59.2°
C09	C08	C07	H8	90.0°	60.8°
C09	C08	C07	H9	90.0°	179.2°
C09	C08	H10	H11	90.0°	120.1°
C08	C09	C10	H13	90.0°	62.3°
C08	C09	C10	H14	90.0°	177.6°
C11	N06	C07	C08	90.0°	61.8°
C11	N06	C07	C05	90.0°	124.1°
C11	N06	C05	C04	90.0°	170.0°
C11	N06	C05	H6	90.0°	70.1°
C11	N06	C05	H7	90.0°	50.0°
C11	N06	C07	H8	90.0°	58.2°
C11	N06	C07	H9	90.0°	178.3°
N06	C11	C10	H13	90.0°	60.8°
N06	C11	C10	H14	90.0°	179.1°
N06	C11	H15	H16	90.0°	120.0°
C08	C07	N06	H8	90.0°	120.0°
C08	C07	N06	H9	90.0°	119.9°
C08	C07	N06	C05	90.0°	174.1°
C08	C07	H8	H9	90.0°	120.0°
C07	C08	H10	H11	90.0°	120.1°
C07	C08	C09	H12	90.0°	62.2°
O23	C22	C03	C04	90.0°	0.5°
O23	C22	C03	N24	90.0°	180.0°
O23	C22	N24	C25	90.0°	1.7°
O23	C22	C03	C02	90.0°	179.4°
O23	C22	N24	C29	90.0°	178.6°
C07	N06	C05	C04	90.0°	65.8°
C07	N06	C05	H6	90.0°	54.1°
C07	N06	C05	H7	90.0°	174.2°
N06	C07	H8	H9	90.0°	120.0°
N06	C07	C08	H10	90.0°	60.7°
N06	C07	C08	H11	90.0°	179.1°
C07	N06	C11	H15	90.0°	178.2°
C07	N06	C11	H16	90.0°	58.3°
N06	C05	C04	H6	90.0°	120.0°
N06	C05	C04	H7	90.0°	120.1°
N06	C05	C04	C03	90.0°	180.0°
N06	C05	C04	H4	90.0°	60.0°
N06	C05	C04	H5	90.0°	60.0°
N06	C05	H6	H7	90.0°	120.1°
C05	N06	C07	H8	90.0°	65.8°
C05	N06	C07	H9	90.0°	54.2°
C05	N06	C11	H15	90.0°	54.1°
C05	N06	C11	H16	90.0°	65.8°
C05	C04	C03	H4	90.0°	120.0°
C05	C04	C03	H5	90.0°	120.0°
C05	C04	C03	C22	90.0°	85.0°
C05	C04	C03	C02	90.0°	95.0°
C05	C04	H4	H5	90.0°	120.0°
C04	C05	H6	H7	90.0°	120.0°
C04	C03	C22	C02	90.0°	179.9°
C04	C03	C22	N24	90.0°	179.5°
C04	C03	C02	N30	90.0°	179.6°
C04	C03	C02	C01	90.0°	0.2°
C03	C04	H4	H5	90.0°	119.9°
C03	C04	C05	H6	90.0°	60.0°
C03	C04	C05	H7	90.0°	60.0°
C03	C22	N24	C25	90.0°	178.3°
C03	C22	N24	C29	90.0°	1.4°
C22	C03	C02	N30	90.0°	0.3°
C22	C03	C02	C01	90.0°	179.9°
C22	C03	C04	H4	90.0°	35.1°
C22	C03	C04	H5	90.0°	155.0°
C22	N24	C25	C29	90.0°	179.7°
C22	N24	C25	C26	90.0°	161.2°
N24	C22	C03	C02	90.0°	0.5°
C22	N24	C29	N30	90.0°	1.4°
C22	N24	C29	C28	90.0°	178.4°
C22	N24	C25	H20	90.0°	40.8°
C22	N24	C25	H21	90.0°	78.4°
N24	C25	C26	H20	90.0°	120.5°
N24	C25	C26	H21	90.0°	120.4°
N24	C25	C26	C27	90.0°	51.3°
C25	N24	C29	N30	90.0°	178.3°
C25	N24	C29	C28	90.0°	1.9°
N24	C25	H20	H21	90.0°	119.2°
N24	C25	C26	H22	90.0°	171.0°
N24	C25	C26	H23	90.0°	68.4°
C26	C25	N24	C29	90.0°	19.1°
C25	C26	C27	H22	90.0°	119.7°
C25	C26	C27	H23	90.0°	119.6°
C25	C26	C27	C28	90.0°	68.0°
C26	C25	H20	H21	90.0°	119.1°
C25	C26	H22	H23	90.0°	120.6°
C25	C26	C27	H24	90.0°	51.7°
C25	C26	C27	H25	90.0°	172.4°
C03	C02	N30	C01	90.0°	179.8°
C03	C02	N30	C29	90.0°	0.4°
C03	C02	C01	H1	90.0°	179.8°
C03	C02	C01	H2	90.0°	59.8°
C03	C02	C01	H3	90.0°	60.3°
C02	C03	C04	H4	90.0°	145.0°
C02	C03	C04	H5	90.0°	25.1°
N24	C29	N30	C02	90.0°	0.5°
N24	C29	N30	C28	90.0°	179.8°
N24	C29	C28	C27	90.0°	17.8°
C29	N24	C25	H20	90.0°	139.5°
C29	N24	C25	H21	90.0°	101.3°
N24	C29	C28	H26	90.0°	138.0°
N24	C29	C28	H27	90.0°	102.5°
C26	C27	C28	C29	90.0°	49.7°
C26	C27	C28	H24	90.0°	119.6°
C26	C27	C28	H25	90.0°	119.6°
C27	C26	C25	H20	90.0°	171.8°
C27	C26	C25	H21	90.0°	69.1°
C27	C26	H22	H23	90.0°	120.6°
C26	C27	H24	H25	90.0°	120.7°
C26	C27	C28	H26	90.0°	169.9°
C26	C27	C28	H27	90.0°	70.6°
C02	N30	C29	C28	90.0°	179.3°
N30	C02	C01	H1	90.0°	0.0°
N30	C02	C01	H2	90.0°	120.0°
N30	C02	C01	H3	90.0°	119.9°
C01	C02	N30	C29	90.0°	179.9°
C02	C01	H1	H2	90.0°	120.0°
C02	C01	H1	H3	90.0°	119.9°
C02	C01	H2	H3	90.0°	120.1°
N30	C29	C28	C27	90.0°	162.4°
N30	C29	C28	H26	90.0°	42.1°
N30	C29	C28	H27	90.0°	77.3°
C29	C28	C27	H26	90.0°	120.3°
C29	C28	C27	H27	90.0°	120.3°
C29	C28	C27	H24	90.0°	70.0°
C29	C28	C27	H25	90.0°	169.2°
C29	C28	H26	H27	90.0°	119.5°
C28	C27	C26	H22	90.0°	172.3°
C28	C27	C26	H23	90.0°	51.6°
C28	C27	H24	H25	90.0°	120.7°
C27	C28	H26	H27	90.0°	119.5°
H1	C01	H2	H3	90.0°	120.0°
H4	C04	C05	H6	90.0°	180.0°
H4	C04	C05	H7	90.0°	60.0°
H5	C04	C05	H6	90.0°	60.0°
H5	C04	C05	H7	90.0°	180.0°
H8	C07	C08	H10	90.0°	179.2°
H8	C07	C08	H11	90.0°	59.1°
H9	C07	C08	H10	90.0°	59.2°
H9	C07	C08	H11	90.0°	60.9°
H10	C08	C09	H12	90.0°	177.9°
H11	C08	C09	H12	90.0°	57.8°
H12	C09	C10	H13	90.0°	177.8°
H12	C09	C10	H14	90.0°	57.7°
H13	C10	C11	H15	90.0°	59.3°
H13	C10	C11	H16	90.0°	179.2°
H14	C10	C11	H15	90.0°	60.9°
H14	C10	C11	H16	90.0°	59.1°
H17	C17	C18	H18	90.0°	0.0°
H20	C25	C26	H22	90.0°	68.5°
H20	C25	C26	H23	90.0°	52.1°
H21	C25	C26	H22	90.0°	50.6°
H21	C25	C26	H23	90.0°	171.2°
H22	C26	C27	H24	90.0°	68.1°
H22	C26	C27	H25	90.0°	52.7°
H23	C26	C27	H24	90.0°	171.3°
H23	C26	C27	H25	90.0°	68.0°
H24	C27	C28	H26	90.0°	50.3°
H24	C27	C28	H27	90.0°	169.8°
H25	C27	C28	H26	90.0°	70.5°
H25	C27	C28	H27	90.0°	49.0°

Release date:	2018-01-31
Definition date:	2017-08-17
Last modified:	2018-01-26
Release status:	REL
Processing site:	RCSB