2QF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F30	C25	sing	1.35Å	1.35Å
C25	C24	doub	1.39Å	1.39Å	Aromatic
C25	C26	sing	1.38Å	1.38Å	Aromatic
C24	C23	sing	1.38Å	1.38Å	Aromatic
C26	C27	doub	1.38Å	1.39Å	Aromatic
O22	S20	doub	1.42Å	1.42Å
C23	C28	doub	1.38Å	1.40Å	Aromatic
C23	S20	sing	1.76Å	1.78Å
C27	C28	sing	1.39Å	1.39Å	Aromatic
C27	F29	sing	1.35Å	1.36Å
S20	O21	doub	1.42Å	1.44Å
S20	C17	sing	1.76Å	1.76Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C19	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.37Å	Aromatic
C14	C15	sing	1.38Å	1.36Å	Aromatic
C14	C13	sing	1.51Å	1.50Å
C13	N12	sing	1.47Å	1.46Å
O11	C10	doub	1.22Å	1.24Å
N12	C10	sing	1.35Å	1.33Å
C10	C5	sing	1.47Å	1.46Å
C5	C6	sing	1.47Å	1.45Å	Aromatic
C5	C4	doub	1.39Å	1.39Å	Aromatic
C6	C7	doub	1.34Å	1.33Å	Aromatic
C4	C3	sing	1.40Å	1.42Å	Aromatic
C7	N8	sing	1.38Å	1.36Å	Aromatic
C3	N8	sing	1.38Å	1.38Å	Aromatic
C3	C2	doub	1.39Å	1.38Å	Aromatic
N8	C9	sing	1.36Å	1.37Å	Aromatic
C2	C1	sing	1.39Å	1.40Å	Aromatic
C9	C1	doub	1.36Å	1.36Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
N12	H4	sing	0.97Å	1.00Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.08Å	1.08Å
C24	H8	sing	1.08Å	1.08Å
C26	H9	sing	1.08Å	1.08Å
C28	H10	sing	1.08Å	1.08Å
C1	H11	sing	1.08Å	1.08Å
C2	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.08Å	1.08Å
C19	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F30	C25	C24	117.6°	120.0°
F30	C25	C26	119.1°	120.1°
C24	C25	C26	123.3°	119.9°
C25	C24	C23	119.3°	120.0°
C25	C24	H8	120.3°	120.0°
C25	C26	C27	117.6°	120.0°
C25	C26	H9	121.2°	120.0°
C24	C23	C28	117.8°	120.1°
C24	C23	S20	120.5°	120.0°
C23	C24	H8	120.4°	120.0°
C26	C27	C28	119.4°	120.0°
C26	C27	F29	119.7°	120.0°
C27	C26	H9	121.2°	120.0°
O22	S20	C23	109.8°	106.4°
O22	S20	O21	121.6°	123.2°
O22	S20	C17	110.6°	106.4°
C28	C23	S20	121.6°	119.9°
C23	C28	C27	122.6°	120.0°
C23	C28	H10	118.7°	120.1°
C23	S20	O21	105.4°	106.4°
C23	S20	C17	95.8°	107.2°
C28	C27	F29	120.9°	120.0°
C27	C28	H10	118.7°	120.0°
O21	S20	C17	110.3°	106.4°
S20	C17	C18	123.8°	120.0°
S20	C17	C16	118.1°	120.0°
C17	C18	C19	120.5°	120.0°
C18	C17	C16	117.9°	120.0°
C17	C18	H15	119.7°	120.0°
C18	C19	C14	120.7°	120.0°
C19	C18	H15	119.7°	120.0°
C18	C19	H16	119.7°	120.0°
C17	C16	C15	120.9°	120.0°
C17	C16	H14	119.6°	120.0°
C19	C14	C15	118.4°	120.0°
C19	C14	C13	119.9°	120.0°
C14	C19	H16	119.7°	120.0°
C16	C15	C14	121.7°	120.0°
C16	C15	H7	119.2°	120.1°
C15	C16	H14	119.6°	120.0°
C15	C14	C13	121.7°	120.0°
C14	C15	H7	119.2°	120.0°
C14	C13	N12	114.1°	109.5°
C14	C13	H5	108.3°	109.5°
C14	C13	H6	108.3°	109.5°
C13	N12	C10	114.7°	120.0°
C13	N12	H4	122.6°	120.0°
N12	C13	H5	108.3°	109.4°
N12	C13	H6	108.3°	109.5°
O11	C10	N12	121.3°	120.0°
O11	C10	C5	121.6°	120.0°
N12	C10	C5	117.0°	119.9°
C10	N12	H4	122.7°	120.0°
C10	C5	C6	118.5°	120.7°
C10	C5	C4	122.0°	120.7°
C6	C5	C4	119.6°	118.7°
C5	C6	C7	119.5°	119.7°
C5	C6	H2	120.3°	120.1°
C5	C4	C3	117.7°	119.2°
C5	C4	H1	121.1°	120.4°
C6	C7	N8	122.2°	121.2°
C7	C6	H2	120.3°	120.2°
C6	C7	H3	118.9°	119.4°
C4	C3	N8	120.7°	120.6°
C4	C3	C2	134.1°	131.8°
C3	C4	H1	121.1°	120.5°
C7	N8	C3	120.2°	120.7°
C7	N8	C9	128.4°	131.0°
N8	C7	H3	118.9°	119.5°
N8	C3	C2	105.2°	107.6°
C3	N8	C9	111.4°	108.3°
C3	C2	C1	108.4°	107.0°
C3	C2	H12	125.8°	126.5°
N8	C9	C1	106.7°	109.1°
N8	C9	H13	126.7°	125.5°
C2	C1	C9	108.3°	108.1°
C2	C1	H11	125.8°	126.0°
C1	C2	H12	125.8°	126.5°
C9	C1	H11	125.8°	125.9°
C1	C9	H13	126.6°	125.5°
H5	C13	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F30	C25	C24	C26	179.4°	179.9°
F30	C25	C24	C23	179.3°	180.0°
F30	C25	C26	C27	179.1°	180.0°
F30	C25	C24	H8	0.7°	0.2°
F30	C25	C26	H9	1.0°	0.2°
C25	C24	C23	H8	180.0°	179.8°
C24	C25	C26	C27	0.3°	0.0°
C25	C24	C23	C28	2.0°	0.2°
C25	C24	C23	S20	179.4°	179.8°
C24	C25	C26	H9	179.6°	179.7°
C26	C25	C24	C23	1.3°	0.1°
C25	C26	C27	H9	180.0°	179.8°
C25	C26	C27	C28	1.1°	0.3°
C25	C26	C27	F29	179.3°	179.8°
C26	C25	C24	H8	178.7°	179.7°
C24	C23	S20	O22	4.8°	156.5°
C24	C23	C28	S20	177.4°	180.0°
C24	C23	C28	C27	1.3°	0.5°
C24	C23	S20	O21	137.5°	23.5°
C24	C23	S20	C17	109.6°	90.0°
C24	C23	C28	H10	178.7°	180.0°
C26	C27	C28	C23	0.3°	0.6°
C26	C27	C28	F29	179.5°	180.0°
C26	C27	C28	H10	179.7°	180.0°
O22	S20	C23	C28	177.9°	23.5°
O22	S20	C23	O21	132.6°	132.9°
O22	S20	C23	C17	114.4°	113.6°
O22	S20	O21	C17	132.1°	123.0°
O22	S20	C17	C18	40.5°	156.5°
O22	S20	C17	C16	144.1°	23.5°
C23	C28	C27	H10	180.0°	179.5°
C23	C28	C27	F29	179.9°	179.5°
C28	C23	S20	O21	45.3°	156.4°
C28	C23	S20	C17	67.7°	90.1°
C28	C23	C24	H8	177.9°	180.0°
S20	C23	C28	C27	178.6°	179.5°
C23	S20	O21	C17	102.4°	114.1°
C23	S20	C17	C18	73.2°	90.0°
C23	S20	C17	C16	102.2°	90.0°
S20	C23	C24	H8	0.6°	0.0°
S20	C23	C28	H10	1.3°	0.0°
C28	C27	C26	H9	178.9°	179.9°
F29	C27	C26	H9	0.7°	0.0°
F29	C27	C28	H10	0.2°	0.0°
O21	S20	C17	C18	178.0°	23.6°
O21	S20	C17	C16	6.6°	156.4°
S20	C17	C18	C16	175.4°	180.0°
S20	C17	C18	C19	176.2°	179.7°
S20	C17	C16	C15	176.4°	180.0°
S20	C17	C16	H14	3.7°	0.0°
S20	C17	C18	H15	3.8°	0.0°
C17	C18	C19	H15	180.0°	179.7°
C17	C18	C19	C14	0.3°	0.3°
C18	C17	C16	C15	0.7°	0.0°
C18	C17	C16	H14	179.4°	180.0°
C17	C18	C19	H16	179.7°	180.0°
C19	C18	C17	C16	0.8°	0.3°
C18	C19	C14	H16	180.0°	179.7°
C18	C19	C14	C15	0.4°	0.0°
C18	C19	C14	C13	176.9°	180.0°
C17	C16	C15	H14	180.0°	180.0°
C17	C16	C15	C14	0.0°	0.3°
C17	C16	C15	H7	180.0°	180.0°
C16	C17	C18	H15	179.2°	180.0°
C19	C14	C15	C16	0.5°	0.3°
C19	C14	C15	C13	176.5°	180.0°
C19	C14	C13	N12	143.0°	90.0°
C19	C14	C13	H5	96.3°	150.0°
C19	C14	C13	H6	22.3°	30.0°
C19	C14	C15	H7	179.5°	180.0°
C14	C19	C18	H15	179.7°	180.0°
C16	C15	C14	H7	180.0°	179.7°
C16	C15	C14	C13	177.0°	179.7°
C15	C14	C13	N12	40.6°	90.0°
C15	C14	C13	H5	80.1°	30.0°
C15	C14	C13	H6	161.3°	150.0°
C14	C15	C16	H14	180.0°	179.7°
C15	C14	C19	H16	179.6°	179.7°
C14	C13	N12	H5	120.7°	120.0°
C14	C13	N12	H6	120.7°	120.1°
C14	C13	N12	C10	72.2°	180.0°
C14	C13	N12	H4	107.8°	0.0°
C14	C13	H5	H6	117.9°	120.0°
C13	C14	C15	H7	3.0°	0.0°
C13	C14	C19	H16	3.1°	0.3°
C13	N12	C10	O11	1.2°	0.0°
C13	N12	C10	H4	180.0°	180.0°
C13	N12	C10	C5	179.8°	180.0°
N12	C13	H5	H6	117.9°	120.0°
O11	C10	N12	C5	178.6°	180.0°
O11	C10	C5	C6	5.9°	179.9°
O11	C10	C5	C4	174.5°	0.0°
O11	C10	N12	H4	178.8°	179.9°
N12	C10	C5	C6	175.5°	0.0°
N12	C10	C5	C4	4.0°	180.0°
C10	N12	C13	H5	167.1°	60.0°
C10	N12	C13	H6	48.5°	59.9°
C10	C5	C6	C4	179.6°	180.0°
C10	C5	C6	C7	179.6°	180.0°
C10	C5	C4	C3	179.4°	180.0°
C10	C5	C4	H1	0.6°	0.2°
C10	C5	C6	H2	0.4°	0.0°
C5	C10	N12	H4	0.2°	0.0°
C5	C6	C7	H2	180.0°	180.0°
C6	C5	C4	C3	0.2°	0.1°
C5	C6	C7	N8	1.1°	0.0°
C6	C5	C4	H1	179.8°	179.8°
C5	C6	C7	H3	178.9°	179.9°
C4	C5	C6	C7	0.8°	0.0°
C5	C4	C3	H1	180.0°	179.8°
C5	C4	C3	N8	0.9°	0.1°
C5	C4	C3	C2	179.7°	179.7°
C4	C5	C6	H2	179.2°	180.0°
C6	C7	N8	H3	180.0°	179.9°
C6	C7	N8	C3	0.4°	0.0°
C6	C7	N8	C9	179.9°	179.9°
C4	C3	N8	C7	0.7°	0.0°
C4	C3	N8	C2	179.1°	179.7°
C4	C3	N8	C9	179.0°	180.0°
C4	C3	C2	C1	178.2°	179.9°
C4	C3	C2	H12	1.8°	0.0°
C7	N8	C3	C9	179.6°	180.0°
C7	N8	C3	C2	179.8°	179.7°
C7	N8	C9	C1	179.1°	180.0°
N8	C7	C6	H2	178.9°	180.0°
C7	N8	C9	H13	0.9°	0.1°
N8	C3	C2	C1	0.7°	0.4°
C3	N8	C9	C1	0.5°	0.1°
N8	C3	C4	H1	179.1°	179.8°
C3	N8	C7	H3	179.6°	179.9°
N8	C3	C2	H12	179.3°	179.6°
C3	N8	C9	H13	179.4°	180.0°
C2	C3	N8	C9	0.1°	0.3°
C3	C2	C1	H12	180.0°	179.9°
C3	C2	C1	C9	1.1°	0.4°
C2	C3	C4	H1	0.3°	0.2°
C3	C2	C1	H11	178.9°	180.0°
N8	C9	C1	C2	1.0°	0.2°
N8	C9	C1	H13	180.0°	179.9°
C9	N8	C7	H3	0.1°	0.0°
N8	C9	C1	H11	179.0°	179.8°
C2	C1	C9	H11	180.0°	179.6°
C2	C1	C9	H13	179.0°	179.7°
C9	C1	C2	H12	178.9°	179.7°
H2	C6	C7	H3	1.1°	0.0°
H4	N12	C13	H5	12.9°	120.1°
H4	N12	C13	H6	131.5°	120.0°
H7	C15	C16	H14	0.0°	0.0°
H11	C1	C2	H12	1.1°	0.0°
H11	C1	C9	H13	1.0°	0.1°
H15	C18	C19	H16	0.3°	0.3°

Release date:	2014-06-18
Definition date:	2014-01-13
Last modified:	2014-06-13
Release status:	REL
Processing site:	RCSB
Derived from:	4O10