FG8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C6	doub	1.39Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.40Å	Aromatic
C7	C8	doub	1.39Å	1.40Å	Aromatic
C3	C8	sing	1.41Å	1.41Å	Aromatic
C3	C2	sing	1.47Å	1.47Å
C1	C2	doub	1.35Å	1.32Å
C1	C	sing	1.46Å	1.48Å
C8	S	sing	1.76Å	1.78Å
N	O1	sing	1.42Å	1.39Å
N	C	sing	1.35Å	1.33Å
C	O	doub	1.22Å	1.24Å
S	C9	sing	1.76Å	1.77Å
C9	C14	doub	1.39Å	1.39Å	Aromatic
C9	C10	sing	1.39Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C12	CL	sing	1.74Å	1.74Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
N	H7	sing	0.97Å	1.00Å
C10	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
O1	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	C4	120.2°	120.4°
C5	C6	C7	120.3°	120.5°
C6	C5	H4	119.9°	119.8°
C5	C6	H5	119.8°	119.8°
C5	C4	C3	120.9°	119.9°
C5	C4	H3	119.6°	120.0°
C4	C5	H4	119.9°	119.8°
C6	C7	C8	120.2°	120.0°
C7	C6	H5	119.8°	119.8°
C6	C7	H6	119.9°	119.9°
C4	C3	C8	118.6°	119.5°
C4	C3	C2	119.1°	120.2°
C3	C4	H3	119.6°	120.1°
C7	C8	C3	119.8°	119.7°
C7	C8	S	119.7°	120.1°
C8	C7	H6	119.9°	120.0°
C8	C3	C2	122.3°	120.3°
C3	C8	S	120.5°	120.2°
C3	C2	C1	126.8°	120.0°
C3	C2	H2	116.6°	120.0°
C2	C1	C	121.2°	120.0°
C2	C1	H1	119.4°	120.1°
C1	C2	H2	116.6°	120.0°
C1	C	N	114.1°	120.0°
C1	C	O	122.9°	120.0°
C	C1	H1	119.4°	120.0°
C8	S	C9	103.9°	103.0°
O1	N	C	119.5°	120.0°
O1	N	H7	120.2°	120.0°
N	O1	H12	109.5°	114.0°
N	C	O	123.0°	120.0°
C	N	H7	120.2°	120.0°
S	C9	C14	121.8°	120.1°
S	C9	C10	118.7°	120.0°
C14	C9	C10	119.5°	119.9°
C9	C14	C13	120.3°	119.9°
C9	C14	H11	119.9°	120.0°
C9	C10	C11	120.3°	119.9°
C9	C10	H8	119.8°	120.1°
C14	C13	C12	119.2°	120.0°
C14	C13	H10	120.4°	119.9°
C13	C14	H11	119.9°	120.1°
C10	C11	C12	119.2°	120.1°
C11	C10	H8	119.8°	120.0°
C10	C11	H9	120.4°	120.0°
C13	C12	C11	121.4°	120.1°
C13	C12	CL	119.3°	119.9°
C12	C13	H10	120.4°	120.0°
C11	C12	CL	119.2°	119.9°
C12	C11	H9	120.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	H4	180.0°	180.0°
C5	C6	C7	H5	180.0°	180.0°
C6	C5	C4	C3	0.3°	0.0°
C5	C6	C7	C8	0.2°	0.0°
C6	C5	C4	H3	179.7°	179.9°
C5	C6	C7	H6	179.8°	180.0°
C4	C5	C6	C7	0.4°	0.0°
C5	C4	C3	H3	180.0°	179.9°
C5	C4	C3	C8	0.1°	0.0°
C5	C4	C3	C2	177.9°	179.7°
C4	C5	C6	H5	179.6°	180.0°
C6	C7	C8	H6	180.0°	180.0°
C6	C7	C8	C3	0.2°	0.1°
C6	C7	C8	S	177.7°	179.7°
C7	C6	C5	H4	179.5°	180.0°
C4	C3	C8	C7	0.4°	0.1°
C4	C3	C8	C2	178.0°	179.7°
C4	C3	C2	C1	3.4°	0.3°
C4	C3	C8	S	177.6°	179.7°
C4	C3	C2	H2	176.6°	179.7°
C3	C4	C5	H4	179.7°	180.0°
C7	C8	C3	S	177.9°	179.8°
C7	C8	C3	C2	177.6°	179.8°
C7	C8	S	C9	73.6°	5.4°
C8	C7	C6	H5	179.8°	179.9°
C8	C3	C2	C1	178.6°	180.0°
C3	C8	S	C9	108.5°	174.8°
C8	C3	C2	H2	1.4°	0.1°
C8	C3	C4	H3	179.9°	180.0°
C3	C8	C7	H6	179.8°	179.9°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C	164.8°	180.0°
C2	C3	C8	S	4.5°	0.1°
C3	C2	C1	H1	15.2°	0.3°
C2	C3	C4	H3	2.1°	0.3°
C2	C1	C	H1	180.0°	179.7°
C2	C1	C	N	176.1°	180.0°
C2	C1	C	O	2.8°	0.0°
C1	C	N	O1	147.5°	180.0°
C1	C	N	O	178.9°	179.9°
C	C1	C2	H2	15.2°	0.0°
C1	C	N	H7	32.4°	0.0°
C8	S	C9	C14	0.1°	94.8°
C8	S	C9	C10	178.5°	85.6°
S	C8	C7	H6	2.3°	0.3°
O1	N	C	H7	180.0°	180.0°
O1	N	C	O	31.4°	0.0°
N	C	C1	H1	3.9°	0.3°
C	N	O1	H12	14.0°	180.0°
O	C	C1	H1	177.2°	179.8°
O	C	N	H7	148.7°	180.0°
S	C9	C14	C10	178.6°	179.6°
S	C9	C14	C13	177.6°	180.0°
S	C9	C10	C11	177.9°	180.0°
S	C9	C10	H8	2.1°	0.2°
S	C9	C14	H11	2.4°	0.2°
C9	C14	C13	H11	180.0°	179.8°
C14	C9	C10	C11	0.8°	0.5°
C9	C14	C13	C12	0.1°	0.1°
C14	C9	C10	H8	179.2°	179.8°
C9	C14	C13	H10	179.9°	179.8°
C10	C9	C14	C13	1.1°	0.4°
C9	C10	C11	H8	180.0°	179.7°
C9	C10	C11	C12	0.6°	0.2°
C9	C10	C11	H9	179.4°	179.8°
C10	C9	C14	H11	179.0°	179.7°
C14	C13	C12	H10	180.0°	179.9°
C14	C13	C12	C11	1.6°	0.1°
C14	C13	C12	CL	174.5°	180.0°
C10	C11	C12	C13	1.8°	0.1°
C10	C11	C12	H9	180.0°	180.0°
C10	C11	C12	CL	174.3°	180.0°
C13	C12	C11	CL	176.1°	179.9°
C13	C12	C11	H9	178.2°	179.9°
C12	C13	C14	H11	179.9°	180.0°
C12	C11	C10	H8	179.4°	179.9°
C11	C12	C13	H10	178.4°	179.9°
CL	C12	C11	H9	5.7°	0.0°
CL	C12	C13	H10	5.5°	0.1°
H1	C1	C2	H2	164.8°	179.8°
H3	C4	C5	H4	0.3°	0.0°
H4	C5	C6	H5	0.4°	0.0°
H5	C6	C7	H6	0.2°	0.1°
H7	N	O1	H12	166.1°	0.1°
H8	C10	C11	H9	0.6°	0.1°
H10	C13	C14	H11	0.1°	0.0°

Release date:	2018-08-15
Definition date:	2018-06-27
Last modified:	2018-08-10
Release status:	REL
Processing site:	RCSB
Derived from:	6GXU