0VI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F30	C26	sing	0.00Å	1.37Å
C25	C26	sing	0.00Å	1.53Å
C25	C24	sing	0.00Å	1.54Å
F34	C29	sing	0.00Å	1.37Å
C26	F31	sing	0.00Å	1.36Å
C26	F32	sing	0.00Å	1.36Å
C23	C24	sing	0.00Å	1.54Å
C23	N21	sing	0.00Å	1.47Å
C28	C29	sing	0.00Å	1.53Å
C28	C27	sing	0.00Å	1.54Å
C29	F33	sing	0.00Å	1.37Å
C29	F35	sing	0.00Å	1.36Å
C22	N21	sing	0.00Å	1.47Å
C22	C27	sing	0.00Å	1.54Å
N21	C15	sing	0.00Å	1.49Å
N16	C15	doub	0.00Å	1.32Å	Aromatic
N16	C17	sing	0.00Å	1.34Å	Aromatic
C15	N13	sing	0.00Å	1.38Å	Aromatic
C19	C17	sing	0.00Å	1.53Å
C17	N18	doub	0.00Å	1.34Å	Aromatic
N13	N12	sing	0.00Å	1.38Å
N13	C14	doub	0.00Å	1.31Å	Aromatic
N12	C11	doub	0.00Å	1.33Å
N18	C14	sing	0.00Å	1.36Å	Aromatic
C14	C10	sing	0.00Å	1.46Å
C11	C10	sing	0.00Å	1.42Å
C11	C20	sing	0.00Å	1.53Å
C10	C05	sing	0.00Å	1.55Å
O08	C37	sing	0.00Å	1.41Å
O08	C04	sing	0.00Å	1.40Å
C05	C04	doub	0.00Å	1.39Å	Aromatic
C05	C06	sing	0.00Å	1.39Å	Aromatic
C04	C03	sing	0.00Å	1.39Å	Aromatic
O07	C06	sing	0.00Å	1.40Å
O07	C36	sing	0.00Å	1.40Å
C06	C01	doub	0.00Å	1.39Å	Aromatic
C03	C02	doub	0.00Å	1.39Å	Aromatic
C01	C02	sing	0.00Å	1.39Å	Aromatic
C02	BR1	sing	0.00Å	1.94Å
C01	H11	sing	0.00Å	1.08Å
C03	H12	sing	0.00Å	1.08Å
C10	H13	sing	0.00Å	1.10Å
C19	H92	sing	0.00Å	1.10Å
C19	H93	sing	0.00Å	1.10Å
C19	H91	sing	0.00Å	1.10Å
C20	H02	sing	0.00Å	1.10Å
C20	H03	sing	0.00Å	1.10Å
C20	H01	sing	0.00Å	1.10Å
C22	H21	sing	0.00Å	1.10Å
C22	H22	sing	0.00Å	1.10Å
C23	H31	sing	0.00Å	1.10Å
C23	H32	sing	0.00Å	1.10Å
C24	H42	sing	0.00Å	1.10Å
C24	H41	sing	0.00Å	1.10Å
C25	H51	sing	0.00Å	1.10Å
C25	H52	sing	0.00Å	1.10Å
C27	H74	sing	0.00Å	1.10Å
C27	H75	sing	0.00Å	1.10Å
C28	H82	sing	0.00Å	1.10Å
C28	H81	sing	0.00Å	1.10Å
C36	H63	sing	0.00Å	1.10Å
C36	H62	sing	0.00Å	1.10Å
C36	H61	sing	0.00Å	1.10Å
C37	H71	sing	0.00Å	1.10Å
C37	H72	sing	0.00Å	1.10Å
C37	H73	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F30	C26	C25	109.2°	90.0°
F30	C26	F31	109.4°	90.0°
F30	C26	F32	109.3°	90.0°
C26	C25	C24	112.4°	90.0°
C25	C26	F31	109.8°	90.0°
C25	C26	F32	109.6°	90.0°
C26	C25	H51	108.7°	90.0°
C26	C25	H52	108.7°	90.0°
C25	C24	C23	111.4°	90.0°
C25	C24	H42	109.0°	90.0°
C25	C24	H41	109.0°	90.0°
C24	C25	H51	108.7°	90.0°
C24	C25	H52	108.7°	90.0°
F34	C29	C28	109.6°	90.0°
F34	C29	F33	109.1°	90.0°
F34	C29	F35	109.3°	90.0°
F31	C26	F32	109.6°	90.0°
C24	C23	N21	111.0°	90.0°
C24	C23	H31	109.1°	90.0°
C24	C23	H32	109.1°	90.0°
C23	C24	H42	109.0°	90.0°
C23	C24	H41	109.0°	90.0°
C23	N21	C22	118.8°	90.0°
C23	N21	C15	119.7°	90.0°
N21	C23	H31	109.1°	90.0°
N21	C23	H32	109.1°	90.0°
C29	C28	C27	112.4°	90.0°
C28	C29	F33	109.7°	90.0°
C28	C29	F35	109.8°	90.0°
C29	C28	H82	108.7°	90.0°
C29	C28	H81	108.7°	90.0°
C28	C27	C22	113.4°	90.0°
C28	C27	H74	108.5°	90.0°
C28	C27	H75	108.5°	90.0°
C27	C28	H82	108.7°	90.0°
C27	C28	H81	108.7°	90.0°
F33	C29	F35	109.3°	90.0°
N21	C22	C27	110.2°	90.0°
C22	N21	C15	121.4°	90.0°
N21	C22	H21	109.3°	90.0°
N21	C22	H22	109.3°	90.0°
C27	C22	H21	109.3°	90.0°
C27	C22	H22	109.3°	90.0°
C22	C27	H74	108.5°	90.0°
C22	C27	H75	108.5°	90.0°
N21	C15	N16	118.8°	90.0°
N21	C15	N13	121.5°	90.0°
C15	N16	C17	120.3°	90.0°
N16	C15	N13	119.7°	90.0°
N16	C17	C19	119.8°	90.0°
N16	C17	N18	120.0°	90.0°
C15	N13	N12	131.0°	90.0°
C15	N13	C14	119.7°	90.0°
C19	C17	N18	120.2°	90.0°
C17	C19	H92	109.5°	90.0°
C17	C19	H93	109.5°	90.0°
C17	C19	H91	109.4°	90.0°
C17	N18	C14	120.0°	90.0°
N12	N13	C14	109.3°	90.0°
N13	N12	C11	111.5°	90.0°
N13	C14	N18	120.2°	90.0°
N13	C14	C10	107.4°	90.0°
N12	C11	C10	106.4°	90.0°
N12	C11	C20	126.9°	90.0°
N18	C14	C10	132.4°	90.0°
C14	C10	C11	105.4°	90.0°
C14	C10	C05	127.1°	90.0°
C14	C10	H13	90.6°	90.0°
C10	C11	C20	126.7°	90.0°
C11	C10	C05	127.5°	90.0°
C11	C10	H13	90.6°	90.0°
C11	C20	H02	109.5°	90.0°
C11	C20	H03	109.5°	90.0°
C11	C20	H01	109.5°	90.0°
C10	C05	C04	116.4°	90.0°
C10	C05	C06	123.4°	90.0°
C05	C10	H13	90.6°	90.0°
C37	O08	C04	115.2°	90.0°
O08	C37	H71	109.5°	90.0°
O08	C37	H72	109.5°	90.0°
O08	C37	H73	109.5°	90.0°
O08	C04	C05	118.2°	90.0°
O08	C04	C03	121.6°	90.0°
C04	C05	C06	120.2°	90.0°
C05	C04	C03	120.2°	90.0°
C05	C06	O07	120.7°	90.0°
C05	C06	C01	119.5°	90.0°
C04	C03	C02	119.9°	90.0°
C04	C03	H12	120.1°	90.0°
C06	O07	C36	113.6°	90.0°
O07	C06	C01	119.9°	90.0°
O07	C36	H63	109.5°	90.0°
O07	C36	H62	109.5°	90.0°
O07	C36	H61	109.5°	90.0°
C06	C01	C02	120.3°	90.0°
C06	C01	H11	119.8°	90.0°
C03	C02	C01	119.9°	90.0°
C03	C02	BR1	119.8°	90.0°
C02	C03	H12	120.1°	90.0°
C01	C02	BR1	120.3°	90.0°
C02	C01	H11	119.8°	90.0°
H92	C19	H93	109.5°	90.0°
H92	C19	H91	109.5°	90.0°
H93	C19	H91	109.4°	90.0°
H02	C20	H03	109.5°	90.0°
H02	C20	H01	109.4°	90.0°
H03	C20	H01	109.5°	90.0°
H21	C22	H22	109.4°	90.0°
H31	C23	H32	109.5°	90.0°
H42	C24	H41	109.5°	90.0°
H51	C25	H52	109.5°	90.0°
H74	C27	H75	109.5°	90.0°
H82	C28	H81	109.5°	90.0°
H63	C36	H62	109.5°	90.0°
H63	C36	H61	109.4°	90.0°
H62	C36	H61	109.5°	90.0°
H71	C37	H72	109.4°	90.0°
H71	C37	H73	109.5°	90.0°
H72	C37	H73	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F30	C26	C25	F31	119.9°	90.0°
F30	C26	C25	F32	119.7°	90.0°
F30	C26	C25	C24	158.2°	90.0°
F30	C26	F31	F32	119.8°	90.0°
F30	C26	C25	H51	81.4°	90.0°
F30	C26	C25	H52	37.8°	90.0°
C26	C25	C24	H51	120.4°	90.0°
C26	C25	C24	H52	120.4°	90.0°
C25	C26	F31	F32	120.3°	90.0°
C26	C25	C24	C23	135.4°	90.0°
C26	C25	C24	H42	104.3°	90.0°
C26	C25	C24	H41	15.1°	90.0°
C26	C25	H51	H52	118.7°	90.0°
C24	C25	C26	F31	81.9°	90.0°
C24	C25	C26	F32	38.4°	90.0°
C25	C24	C23	H42	120.3°	90.0°
C25	C24	C23	H41	120.3°	90.0°
C25	C24	C23	N21	132.9°	90.0°
C25	C24	C23	H31	12.6°	90.0°
C25	C24	C23	H32	106.9°	90.0°
C25	C24	H42	H41	119.1°	90.0°
C24	C25	H51	H52	118.7°	90.0°
F34	C29	C28	F33	119.8°	90.0°
F34	C29	C28	F35	120.0°	90.0°
F34	C29	C28	C27	151.1°	90.0°
F34	C29	F33	F35	119.4°	90.0°
F34	C29	C28	H82	30.6°	90.0°
F34	C29	C28	H81	88.5°	90.0°
F31	C26	C25	H51	38.5°	90.0°
F31	C26	C25	H52	157.7°	90.0°
F32	C26	C25	H51	158.9°	90.0°
F32	C26	C25	H52	82.0°	90.0°
C24	C23	N21	H31	120.2°	90.0°
C24	C23	N21	H32	120.2°	90.0°
C24	C23	N21	C22	123.6°	90.0°
C24	C23	N21	C15	57.9°	90.0°
C24	C23	H31	H32	119.3°	90.0°
C23	C24	H42	H41	119.1°	90.0°
C23	C24	C25	H51	15.0°	90.0°
C23	C24	C25	H52	104.2°	90.0°
C23	N21	C22	C15	178.5°	90.0°
C23	N21	C22	C27	124.2°	90.0°
C23	N21	C15	N16	20.4°	90.0°
C23	N21	C15	N13	160.7°	90.0°
C23	N21	C22	H21	115.6°	90.0°
C23	N21	C22	H22	4.1°	90.0°
N21	C23	H31	H32	119.3°	90.0°
N21	C23	C24	H42	106.9°	90.0°
N21	C23	C24	H41	12.6°	90.0°
C29	C28	C27	H82	120.4°	90.0°
C29	C28	C27	H81	120.4°	90.0°
C28	C29	F33	F35	120.5°	90.0°
C29	C28	C27	C22	169.0°	90.0°
C29	C28	C27	H74	48.5°	90.0°
C29	C28	C27	H75	70.4°	90.0°
C29	C28	H82	H81	118.6°	90.0°
C27	C28	C29	F33	89.1°	90.0°
C27	C28	C29	F35	31.0°	90.0°
C28	C27	C22	N21	102.2°	90.0°
C28	C27	C22	H74	120.6°	90.0°
C28	C27	C22	H75	120.6°	90.0°
C28	C27	C22	H21	137.7°	90.0°
C28	C27	C22	H22	17.9°	90.0°
C28	C27	H74	H75	118.2°	90.0°
C27	C28	H82	H81	118.7°	90.0°
F33	C29	C28	H82	150.4°	90.0°
F33	C29	C28	H81	31.3°	90.0°
F35	C29	C28	H82	89.4°	90.0°
F35	C29	C28	H81	151.5°	90.0°
N21	C22	C27	H21	120.1°	90.0°
N21	C22	C27	H22	120.1°	90.0°
C22	N21	C15	N16	158.1°	90.0°
C22	N21	C15	N13	20.8°	90.0°
N21	C22	H21	H22	119.7°	90.0°
C22	N21	C23	H31	3.3°	90.0°
C22	N21	C23	H32	116.2°	90.0°
N21	C22	C27	H74	137.2°	90.0°
N21	C22	C27	H75	18.4°	90.0°
C27	C22	N21	C15	54.3°	90.0°
C27	C22	H21	H22	119.7°	90.0°
C22	C27	H74	H75	118.2°	90.0°
C22	C27	C28	H82	70.5°	90.0°
C22	C27	C28	H81	48.6°	90.0°
N21	C15	N16	N13	178.9°	90.0°
N21	C15	N16	C17	179.6°	90.0°
N21	C15	N13	N12	0.9°	90.0°
N21	C15	N13	C14	179.5°	90.0°
C15	N21	C22	H21	65.8°	90.0°
C15	N21	C22	H22	174.4°	90.0°
C15	N21	C23	H31	178.1°	90.0°
C15	N21	C23	H32	62.3°	90.0°
C15	N16	C17	C19	179.7°	90.0°
C15	N16	C17	N18	0.4°	90.0°
N16	C15	N13	N12	179.9°	90.0°
N16	C15	N13	C14	0.6°	90.0°
C17	N16	C15	N13	0.6°	90.0°
N16	C17	C19	N18	179.9°	90.0°
N16	C17	N18	C14	0.1°	90.0°
N16	C17	C19	H92	0.0°	90.0°
N16	C17	C19	H93	120.0°	90.0°
N16	C17	C19	H91	120.0°	90.0°
C15	N13	N12	C14	179.6°	90.0°
C15	N13	N12	C11	179.7°	90.0°
C15	N13	C14	N18	0.3°	90.0°
C15	N13	C14	C10	179.2°	90.0°
C19	C17	N18	C14	180.0°	90.0°
C17	C19	H92	H93	120.0°	90.0°
C17	C19	H92	H91	120.0°	90.0°
C17	C19	H93	H91	120.0°	90.0°
C17	N18	C14	N13	0.1°	90.0°
C17	N18	C14	C10	179.3°	90.0°
N18	C17	C19	H92	179.9°	90.0°
N18	C17	C19	H93	60.1°	90.0°
N18	C17	C19	H91	59.9°	90.0°
N12	N13	C14	N18	180.0°	90.0°
N12	N13	C14	C10	0.4°	90.0°
N13	N12	C11	C10	0.6°	90.0°
N13	N12	C11	C20	180.0°	90.0°
C14	N13	N12	C11	0.1°	90.0°
N13	C14	N18	C10	179.4°	90.0°
N13	C14	C10	C11	0.8°	90.0°
N13	C14	C10	C05	178.8°	90.0°
N13	C14	C10	H13	90.0°	90.0°
N12	C11	C10	C14	0.9°	90.0°
N12	C11	C10	C20	179.3°	90.0°
N12	C11	C10	C05	178.9°	90.0°
N12	C11	C10	H13	89.9°	90.0°
N12	C11	C20	H02	0.0°	90.0°
N12	C11	C20	H03	120.0°	90.0°
N12	C11	C20	H01	120.0°	90.0°
N18	C14	C10	C11	179.7°	90.0°
N18	C14	C10	C05	1.7°	90.0°
N18	C14	C10	H13	89.5°	90.0°
C14	C10	C11	C05	178.0°	90.0°
C14	C10	C11	H13	90.8°	90.0°
C14	C10	C11	C20	179.8°	90.0°
C14	C10	C05	H13	91.2°	90.0°
C14	C10	C05	C04	77.4°	90.0°
C14	C10	C05	C06	102.9°	90.0°
C11	C10	C05	H13	91.2°	90.0°
C11	C10	C05	C04	100.2°	90.0°
C11	C10	C05	C06	79.5°	90.0°
C10	C11	C20	H02	179.2°	90.0°
C10	C11	C20	H03	60.8°	90.0°
C10	C11	C20	H01	59.2°	90.0°
C20	C11	C10	C05	1.8°	90.0°
C20	C11	C10	H13	89.4°	90.0°
C11	C20	H02	H03	120.0°	90.0°
C11	C20	H02	H01	120.0°	90.0°
C11	C20	H03	H01	120.0°	90.0°
C10	C05	C04	O08	0.3°	90.0°
C10	C05	C04	C06	179.7°	90.0°
C10	C05	C04	C03	180.0°	90.0°
C10	C05	C06	O07	0.2°	90.0°
C10	C05	C06	C01	179.9°	90.0°
C37	O08	C04	C05	168.6°	90.0°
C37	O08	C04	C03	11.7°	90.0°
O08	C37	H71	H72	120.0°	90.0°
O08	C37	H71	H73	120.1°	90.0°
O08	C37	H72	H73	120.0°	90.0°
O08	C04	C05	C03	179.7°	90.0°
O08	C04	C05	C06	180.0°	90.0°
O08	C04	C03	C02	179.9°	90.0°
O08	C04	C03	H12	0.0°	90.0°
C04	O08	C37	H71	180.0°	90.0°
C04	O08	C37	H72	60.0°	90.0°
C04	O08	C37	H73	60.0°	90.0°
C04	C05	C06	O07	179.9°	90.0°
C04	C05	C06	C01	0.2°	90.0°
C05	C04	C03	C02	0.2°	90.0°
C05	C04	C03	H12	179.8°	90.0°
C04	C05	C10	H13	168.6°	90.0°
C06	C05	C04	C03	0.3°	90.0°
C05	C06	O07	C01	179.9°	90.0°
C05	C06	O07	C36	138.2°	90.0°
C05	C06	C01	C02	0.0°	90.0°
C05	C06	C01	H11	180.0°	90.0°
C06	C05	C10	H13	11.7°	90.0°
C04	C03	C02	H12	180.0°	90.0°
C04	C03	C02	C01	0.1°	90.0°
C04	C03	C02	BR1	179.9°	90.0°
O07	C06	C01	C02	179.9°	90.0°
O07	C06	C01	H11	0.1°	90.0°
C06	O07	C36	H63	180.0°	90.0°
C06	O07	C36	H62	60.0°	90.0°
C06	O07	C36	H61	60.0°	90.0°
C36	O07	C06	C01	41.7°	90.0°
O07	C36	H63	H62	120.0°	90.0°
O07	C36	H63	H61	120.0°	90.0°
O07	C36	H62	H61	120.0°	90.0°
C06	C01	C02	C03	0.1°	90.0°
C06	C01	C02	H11	180.0°	90.0°
C06	C01	C02	BR1	180.0°	90.0°
C03	C02	C01	BR1	180.0°	90.0°
C03	C02	C01	H11	180.0°	90.0°
C01	C02	C03	H12	179.9°	90.0°
BR1	C02	C01	H11	0.0°	90.0°
BR1	C02	C03	H12	0.1°	90.0°
H92	C19	H93	H91	120.0°	90.0°
H02	C20	H03	H01	120.0°	90.0°
H21	C22	C27	H74	17.1°	90.0°
H21	C22	C27	H75	101.7°	90.0°
H22	C22	C27	H74	102.6°	90.0°
H22	C22	C27	H75	138.5°	90.0°
H31	C23	C24	H42	132.9°	90.0°
H31	C23	C24	H41	107.7°	90.0°
H32	C23	C24	H42	13.3°	90.0°
H32	C23	C24	H41	132.8°	90.0°
H42	C24	C25	H51	135.3°	90.0°
H42	C24	C25	H52	16.1°	90.0°
H41	C24	C25	H51	105.3°	90.0°
H41	C24	C25	H52	135.5°	90.0°
H74	C27	C28	H82	168.9°	90.0°
H74	C27	C28	H81	72.0°	90.0°
H75	C27	C28	H82	50.1°	90.0°
H75	C27	C28	H81	169.2°	90.0°
H63	C36	H62	H61	120.0°	90.0°
H71	C37	H72	H73	120.0°	90.0°

Release date:	2023-09-13
Definition date:	2021-06-16
Last modified:	2023-09-08
Release status:	REL
Processing site:	PDBJ
Derived from:	7F2Q