6F3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	S1	doub	1.42Å	1.50Å
C1	C2	doub	1.38Å	1.36Å	Aromatic
C1	C6	sing	1.38Å	1.36Å	Aromatic
N2	S1	sing	1.66Å	1.51Å
N2	C14	sing	1.46Å	1.45Å
S1	C6	sing	1.76Å	1.63Å
S1	O3	doub	1.42Å	1.46Å
C2	C3	sing	1.38Å	1.34Å	Aromatic
C6	C5	doub	1.38Å	1.43Å	Aromatic
C3	C4	doub	1.40Å	1.36Å	Aromatic
C5	C4	sing	1.40Å	1.35Å	Aromatic
C4	C7	sing	1.48Å	1.41Å
C7	C8	doub	1.36Å	1.42Å	Aromatic
C7	O1	sing	1.35Å	1.35Å	Aromatic
C8	C9	sing	1.46Å	1.43Å	Aromatic
O1	C10	sing	1.34Å	1.36Å	Aromatic
C9	C10	doub	1.40Å	1.39Å	Aromatic
C9	C11	sing	1.41Å	1.48Å
O2	C11	doub	1.22Å	1.27Å
C10	C13	sing	1.41Å	1.38Å
C11	N1	sing	1.35Å	1.37Å
C13	C12	doub	1.35Å	1.36Å
N1	C12	sing	1.36Å	1.36Å
C8	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
N2	H4	sing	0.97Å	1.00Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
N1	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	S1	N2	109.6°	106.4°
O4	S1	C6	112.9°	106.4°
O4	S1	O3	105.7°	123.2°
C2	C1	C6	119.3°	120.3°
C1	C2	C3	122.0°	120.1°
C1	C2	H3	119.0°	119.9°
C2	C1	H8	120.4°	119.8°
C1	C6	S1	120.6°	119.9°
C1	C6	C5	117.5°	120.1°
C6	C1	H8	120.3°	119.8°
S1	N2	C14	109.5°	120.0°
N2	S1	C6	112.1°	107.2°
N2	S1	O3	109.0°	106.4°
S1	N2	H4	109.5°	120.0°
C14	N2	H4	109.5°	120.0°
N2	C14	H5	109.5°	109.5°
N2	C14	H6	109.5°	109.5°
N2	C14	H7	109.5°	109.5°
C6	S1	O3	107.3°	106.4°
S1	C6	C5	121.7°	119.9°
C2	C3	C4	121.6°	119.8°
C3	C2	H3	119.0°	119.9°
C2	C3	H9	119.2°	120.1°
C6	C5	C4	121.7°	119.9°
C6	C5	H2	119.1°	120.1°
C3	C4	C5	117.5°	119.7°
C3	C4	C7	119.1°	120.1°
C4	C3	H9	119.2°	120.1°
C5	C4	C7	122.9°	120.2°
C4	C5	H2	119.1°	120.0°
C4	C7	C8	135.0°	125.2°
C4	C7	O1	120.3°	125.2°
C8	C7	O1	104.5°	109.6°
C7	C8	C9	110.0°	106.0°
C7	C8	H1	125.0°	127.0°
C7	O1	C10	111.2°	110.9°
C8	C9	C10	103.2°	105.8°
C8	C9	C11	139.1°	134.8°
C9	C8	H1	125.0°	127.0°
O1	C10	C9	109.8°	107.7°
O1	C10	C13	124.3°	133.8°
C10	C9	C11	117.6°	119.4°
C9	C10	C13	122.7°	118.5°
C9	C11	O2	120.9°	120.3°
C9	C11	N1	114.2°	119.4°
O2	C11	N1	124.7°	120.3°
C10	C13	C12	118.1°	119.8°
C10	C13	H10	121.0°	120.1°
C11	N1	C12	125.5°	121.2°
C11	N1	H13	117.3°	119.4°
C13	C12	N1	119.8°	121.6°
C12	C13	H10	120.9°	120.1°
C13	C12	H12	120.1°	119.2°
N1	C12	H12	120.1°	119.2°
C12	N1	H13	117.3°	119.4°
H5	C14	H6	109.5°	109.5°
H5	C14	H7	109.5°	109.4°
H6	C14	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	S1	C6	C1	74.5°	23.5°
O4	S1	N2	C6	126.1°	113.5°
O4	S1	N2	O3	115.2°	133.0°
O4	S1	N2	C14	174.6°	48.5°
O4	S1	C6	O3	116.1°	132.9°
O4	S1	C6	C5	100.2°	156.5°
O4	S1	N2	H4	54.6°	131.5°
C2	C1	C6	H8	180.0°	179.8°
C2	C1	C6	S1	174.5°	180.0°
C1	C2	C3	H3	180.0°	179.6°
C2	C1	C6	C5	0.3°	0.0°
C1	C2	C3	C4	5.3°	0.4°
C1	C2	C3	H9	174.7°	180.0°
C1	C6	S1	N2	49.8°	90.0°
C1	C6	S1	C5	174.6°	180.0°
C1	C6	S1	O3	169.5°	156.5°
C6	C1	C2	C3	1.1°	0.2°
C1	C6	C5	C4	2.3°	0.0°
C1	C6	C5	H2	177.7°	180.0°
C6	C1	C2	H3	178.8°	179.8°
S1	N2	C14	H4	120.0°	180.0°
N2	S1	C6	O3	119.6°	113.6°
N2	S1	C6	C5	135.5°	90.0°
S1	N2	C14	H5	180.0°	60.0°
S1	N2	C14	H6	60.0°	60.0°
S1	N2	C14	H7	60.0°	180.0°
C14	N2	S1	C6	48.5°	65.0°
C14	N2	S1	O3	70.2°	178.5°
N2	C14	H5	H6	120.0°	120.0°
N2	C14	H5	H7	120.0°	120.0°
N2	C14	H6	H7	120.0°	120.0°
S1	C6	C5	C4	177.1°	180.0°
S1	C6	C5	H2	2.9°	0.0°
C6	S1	N2	H4	71.5°	115.0°
S1	C6	C1	H8	5.5°	0.2°
O3	S1	C6	C5	15.9°	23.6°
O3	S1	N2	H4	169.8°	1.4°
C2	C3	C4	H9	180.0°	179.6°
C2	C3	C4	C5	7.6°	0.4°
C2	C3	C4	C7	179.8°	179.8°
C3	C2	C1	H8	178.9°	180.0°
C6	C5	C4	C3	6.1°	0.2°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	C7	178.0°	180.0°
C5	C6	C1	H8	179.6°	179.8°
C3	C4	C5	C7	171.9°	179.8°
C3	C4	C7	C8	29.7°	0.2°
C3	C4	C7	O1	145.1°	179.8°
C3	C4	C5	H2	173.9°	179.8°
C4	C3	C2	H3	174.7°	180.0°
C5	C4	C7	C8	142.1°	180.0°
C5	C4	C7	O1	43.1°	0.0°
C5	C4	C3	H9	172.4°	180.0°
C4	C7	C8	O1	175.4°	180.0°
C4	C7	C8	C9	179.6°	180.0°
C4	C7	O1	C10	173.9°	180.0°
C4	C7	C8	H1	0.3°	0.3°
C7	C4	C5	H2	2.0°	0.0°
C7	C4	C3	H9	0.2°	0.2°
C7	C8	C9	H1	180.0°	179.7°
C8	C7	O1	C10	9.8°	0.0°
C7	C8	C9	C10	2.6°	0.0°
C7	C8	C9	C11	179.5°	179.8°
O1	C7	C8	C9	4.2°	0.0°
C7	O1	C10	C9	12.2°	0.0°
C7	O1	C10	C13	172.4°	180.0°
O1	C7	C8	H1	175.7°	179.7°
C8	C9	C10	O1	8.6°	0.0°
C8	C9	C10	C11	177.7°	179.9°
C8	C9	C11	O2	1.9°	0.2°
C8	C9	C10	C13	169.2°	180.0°
C8	C9	C11	N1	177.1°	179.8°
O1	C10	C9	C13	160.6°	180.0°
O1	C10	C9	C11	173.6°	179.8°
O1	C10	C13	C12	174.9°	179.9°
O1	C10	C13	H10	5.1°	0.0°
C10	C9	C11	O2	174.8°	180.0°
C10	C9	C11	N1	0.4°	0.4°
C9	C10	C13	C12	17.2°	0.1°
C10	C9	C8	H1	177.4°	179.8°
C9	C10	C13	H10	162.8°	180.0°
C9	C11	O2	N1	174.7°	179.6°
C11	C9	C10	C13	13.0°	0.2°
C9	C11	N1	C12	8.3°	0.4°
C11	C9	C8	H1	0.5°	0.1°
C9	C11	N1	H13	171.7°	179.9°
O2	C11	N1	C12	176.7°	180.0°
O2	C11	N1	H13	3.3°	0.2°
C10	C13	C12	H10	180.0°	179.9°
C10	C13	C12	N1	8.2°	0.1°
C10	C13	C12	H12	171.8°	180.0°
C11	N1	C12	C13	4.7°	0.1°
C11	N1	C12	H13	180.0°	179.8°
C11	N1	C12	H12	175.4°	179.8°
C13	C12	N1	H12	180.0°	179.9°
C13	C12	N1	H13	175.4°	179.9°
N1	C12	C13	H10	171.8°	180.0°
H3	C2	C1	H8	1.1°	0.4°
H3	C2	C3	H9	5.3°	0.4°
H4	N2	C14	H5	60.0°	119.9°
H4	N2	C14	H6	180.0°	120.0°
H4	N2	C14	H7	60.0°	0.0°
H5	C14	H6	H7	120.0°	120.0°
H10	C13	C12	H12	8.2°	0.1°
H12	C12	N1	H13	4.6°	0.0°

Release date:	2017-03-01
Definition date:	2016-05-11
Last modified:	2017-02-24
Release status:	REL
Processing site:	RCSB
Derived from:	5B5F