FGQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	S11	doub	1.42Å	1.46Å
O20	S11	doub	1.42Å	1.45Å
F21	C2	sing	1.35Å	1.33Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.36Å	1.39Å	Aromatic
S11	C4	sing	1.76Å	1.79Å
S11	C12	sing	1.76Å	1.77Å
C2	C1	sing	1.38Å	1.40Å	Aromatic
C4	C5	doub	1.40Å	1.41Å	Aromatic
C1	O22	sing	1.36Å	1.39Å
C1	C6	doub	1.41Å	1.39Å	Aromatic
C5	C6	sing	1.42Å	1.42Å	Aromatic
C5	C10	sing	1.41Å	1.40Å	Aromatic
C6	N7	sing	1.34Å	1.35Å	Aromatic
C12	C17	doub	1.38Å	1.40Å	Aromatic
C12	C13	sing	1.38Å	1.40Å	Aromatic
C10	C9	doub	1.37Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.40Å	Aromatic
N7	C8	doub	1.31Å	1.35Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.39Å	1.38Å	Aromatic
C16	C15	doub	1.38Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.40Å	Aromatic
C15	C18	sing	1.51Å	1.50Å
C8	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C18	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
O22	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	S11	O20	124.3°	123.2°
O19	S11	C4	107.5°	106.4°
O19	S11	C12	104.0°	106.4°
O20	S11	C4	107.1°	106.4°
O20	S11	C12	107.0°	106.4°
F21	C2	C3	118.0°	119.6°
F21	C2	C1	120.5°	119.6°
C2	C3	C4	118.4°	121.0°
C3	C2	C1	121.5°	120.8°
C2	C3	H10	120.8°	119.6°
C3	C4	S11	117.3°	120.1°
C3	C4	C5	121.0°	119.8°
C4	C3	H10	120.8°	119.5°
C4	S11	C12	105.5°	107.2°
S11	C4	C5	121.7°	120.1°
S11	C12	C17	118.1°	120.1°
S11	C12	C13	118.8°	120.0°
C2	C1	O22	120.0°	120.2°
C2	C1	C6	121.0°	119.6°
C4	C5	C6	120.2°	119.8°
C4	C5	C10	122.1°	121.3°
O22	C1	C6	119.0°	120.2°
C1	O22	H12	109.5°	114.0°
C1	C6	C5	117.9°	119.0°
C1	C6	N7	119.7°	121.1°
C6	C5	C10	117.7°	118.9°
C5	C6	N7	122.4°	119.9°
C5	C10	C9	119.8°	118.2°
C5	C10	H2	120.1°	120.9°
C6	N7	C8	117.9°	121.4°
C17	C12	C13	123.1°	120.0°
C12	C17	C16	117.9°	120.0°
C12	C17	H4	121.1°	120.0°
C12	C13	C14	117.6°	120.0°
C12	C13	H3	121.2°	120.0°
C10	C9	C8	118.5°	120.0°
C9	C10	H2	120.1°	120.9°
C10	C9	H11	120.8°	120.0°
C17	C16	C15	120.3°	120.0°
C16	C17	H4	121.1°	120.0°
C17	C16	H6	119.8°	120.0°
N7	C8	C9	123.7°	121.7°
N7	C8	H1	118.2°	119.2°
C13	C14	C15	120.8°	120.0°
C14	C13	H3	121.2°	120.0°
C13	C14	H5	119.6°	120.0°
C9	C8	H1	118.2°	119.1°
C8	C9	H11	120.8°	120.0°
C16	C15	C14	120.2°	120.0°
C16	C15	C18	120.4°	120.0°
C15	C16	H6	119.8°	120.0°
C14	C15	C18	119.4°	120.0°
C15	C14	H5	119.6°	120.1°
C15	C18	H7	109.5°	109.5°
C15	C18	H8	109.5°	109.5°
C15	C18	H9	109.5°	109.5°
H7	C18	H8	109.4°	109.5°
H7	C18	H9	109.5°	109.5°
H8	C18	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	S11	O20	C4	126.2°	122.9°
O19	S11	O20	C12	121.0°	123.0°
O19	S11	C4	C3	1.4°	0.3°
O19	S11	C4	C12	110.5°	113.5°
O19	S11	C4	C5	178.4°	179.4°
O19	S11	C12	C17	36.5°	31.1°
O19	S11	C12	C13	143.5°	148.9°
O20	S11	C4	C3	137.1°	133.3°
O20	S11	C4	C12	113.8°	113.6°
O20	S11	C4	C5	42.7°	46.5°
O20	S11	C12	C17	169.7°	164.1°
O20	S11	C12	C13	10.3°	15.9°
F21	C2	C3	C1	179.9°	179.8°
F21	C2	C3	C4	179.8°	180.0°
F21	C2	C1	O22	0.1°	0.0°
F21	C2	C1	C6	179.9°	180.0°
F21	C2	C3	H10	0.2°	0.2°
C2	C3	C4	H10	180.0°	179.8°
C2	C3	C4	S11	179.8°	179.6°
C2	C3	C4	C5	0.0°	0.1°
C3	C2	C1	O22	179.8°	179.9°
C3	C2	C1	C6	0.0°	0.1°
C3	C4	S11	C5	179.8°	179.8°
C3	C4	S11	C12	109.1°	113.2°
C4	C3	C2	C1	0.1°	0.2°
C3	C4	C5	C6	0.2°	0.0°
C3	C4	C5	C10	179.9°	179.9°
S11	C4	C5	C6	179.6°	179.7°
S11	C4	C5	C10	0.3°	0.3°
C4	S11	C12	C17	76.5°	82.4°
C4	S11	C12	C13	103.5°	97.6°
S11	C4	C3	H10	0.2°	0.2°
C12	S11	C4	C5	71.1°	67.1°
S11	C12	C17	C13	179.9°	179.9°
S11	C12	C17	C16	179.7°	179.5°
S11	C12	C13	C14	180.0°	180.0°
S11	C12	C13	H3	0.0°	0.4°
S11	C12	C17	H4	0.3°	0.3°
C2	C1	O22	C6	179.7°	180.0°
C2	C1	C6	C5	0.1°	0.0°
C2	C1	C6	N7	180.0°	180.0°
C1	C2	C3	H10	179.9°	180.0°
C2	C1	O22	H12	180.0°	90.0°
C4	C5	C6	C1	0.2°	0.0°
C4	C5	C6	C10	179.9°	179.9°
C4	C5	C6	N7	179.9°	179.9°
C4	C5	C10	C9	179.9°	180.0°
C4	C5	C10	H2	0.1°	0.0°
C5	C4	C3	H10	180.0°	179.9°
O22	C1	C6	C5	179.6°	180.0°
O22	C1	C6	N7	0.2°	0.0°
C1	C6	C5	N7	179.8°	180.0°
C1	C6	C5	C10	179.9°	180.0°
C1	C6	N7	C8	179.7°	180.0°
C6	C1	O22	H12	0.3°	90.0°
C6	C5	C10	C9	0.2°	0.0°
C5	C6	N7	C8	0.2°	0.0°
C6	C5	C10	H2	179.8°	180.0°
C10	C5	C6	N7	0.1°	0.0°
C5	C10	C9	H2	180.0°	180.0°
C5	C10	C9	C8	0.1°	0.0°
C5	C10	C9	H11	179.9°	179.9°
C6	N7	C8	C9	0.3°	0.1°
C6	N7	C8	H1	179.7°	180.0°
C12	C17	C16	H4	180.0°	179.2°
C17	C12	C13	C14	0.0°	0.1°
C12	C17	C16	C15	0.4°	0.8°
C17	C12	C13	H3	180.0°	179.7°
C12	C17	C16	H6	179.6°	179.2°
C13	C12	C17	C16	0.3°	0.5°
C12	C13	C14	H3	180.0°	179.6°
C12	C13	C14	C15	0.2°	0.3°
C13	C12	C17	H4	179.8°	179.7°
C12	C13	C14	H5	179.8°	179.7°
C10	C9	C8	N7	0.1°	0.0°
C10	C9	C8	H11	180.0°	179.9°
C10	C9	C8	H1	179.9°	180.0°
C17	C16	C15	H6	180.0°	179.9°
C17	C16	C15	C14	0.3°	0.5°
C17	C16	C15	C18	179.7°	179.5°
N7	C8	C9	H1	180.0°	180.0°
N7	C8	C9	H11	179.9°	180.0°
C13	C14	C15	C16	0.1°	0.0°
C13	C14	C15	H5	180.0°	180.0°
C13	C14	C15	C18	180.0°	180.0°
C8	C9	C10	H2	179.9°	180.0°
C16	C15	C14	C18	180.0°	180.0°
C15	C16	C17	H4	179.6°	179.9°
C16	C15	C14	H5	179.9°	179.9°
C16	C15	C18	H7	90.0°	90.0°
C16	C15	C18	H8	150.0°	29.9°
C16	C15	C18	H9	30.0°	149.9°
C15	C14	C13	H3	179.8°	180.0°
C14	C15	C16	H6	179.8°	179.4°
C14	C15	C18	H7	90.0°	90.0°
C14	C15	C18	H8	30.0°	150.0°
C14	C15	C18	H9	150.0°	30.0°
C18	C15	C14	H5	0.0°	0.0°
C18	C15	C16	H6	0.2°	0.6°
C15	C18	H7	H8	120.0°	120.0°
C15	C18	H7	H9	120.0°	120.0°
C15	C18	H8	H9	120.0°	120.0°
H1	C8	C9	H11	0.1°	0.1°
H2	C10	C9	H11	0.2°	0.1°
H3	C13	C14	H5	0.2°	0.0°
H4	C17	C16	H6	0.3°	0.0°
H7	C18	H8	H9	120.0°	120.0°

Release date:	2018-10-10
Definition date:	2018-06-28
Last modified:	2018-10-05
Release status:	REL
Processing site:	EBI
Derived from:	6GY1