N8F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
O1	C3	doub	1.21Å	1.22Å
C12	C7	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.39Å	Aromatic
N1	C3	sing	1.34Å	1.38Å
N1	C4	sing	1.34Å	1.38Å
C3	C2	sing	1.51Å	1.51Å
C6	C2	sing	1.53Å	1.53Å
C6	S1	sing	1.81Å	1.78Å
C7	S1	sing	1.76Å	1.77Å
C4	O2	doub	1.21Å	1.21Å
C4	C5	sing	1.51Å	1.49Å
C2	C1	sing	1.53Å	1.52Å
C1	C5	sing	1.53Å	1.52Å
S1	O4	doub	1.42Å	1.44Å
S1	O3	doub	1.42Å	1.44Å
N1	H4	sing	0.97Å	1.00Å
C5	H6	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	120.2°	120.0°
C10	C11	C12	120.2°	120.0°
C11	C10	H11	119.9°	120.0°
C10	C11	H12	119.9°	120.0°
C10	C9	C8	120.3°	120.0°
C9	C10	H11	119.9°	119.9°
C10	C9	H10	119.9°	120.0°
C11	C12	C7	119.6°	120.0°
C12	C11	H12	119.9°	120.0°
C11	C12	H13	120.2°	120.0°
C9	C8	C7	119.4°	120.0°
C9	C8	H9	120.3°	120.0°
C8	C9	H10	119.8°	120.0°
O1	C3	N1	119.8°	119.3°
O1	C3	C2	122.8°	119.4°
C12	C7	C8	120.4°	120.0°
C12	C7	S1	119.6°	120.0°
C7	C12	H13	120.3°	120.0°
C8	C7	S1	120.0°	120.0°
C7	C8	H9	120.3°	120.0°
C3	N1	C4	127.0°	122.5°
N1	C3	C2	117.4°	121.3°
C3	N1	H4	116.5°	118.7°
N1	C4	O2	120.5°	119.3°
N1	C4	C5	116.8°	121.3°
C4	N1	H4	116.5°	118.7°
C3	C2	C6	113.6°	109.5°
C3	C2	C1	111.2°	109.2°
C3	C2	H3	107.7°	109.6°
C2	C6	S1	115.7°	109.5°
C6	C2	C1	109.2°	109.5°
C2	C6	H7	107.9°	109.4°
C2	C6	H8	107.9°	109.5°
C6	C2	H3	107.4°	109.6°
C6	S1	C7	103.6°	104.4°
C6	S1	O4	105.7°	110.5°
C6	S1	O3	112.1°	110.5°
S1	C6	H7	107.9°	109.5°
S1	C6	H8	107.9°	109.5°
C7	S1	O4	108.3°	104.3°
C7	S1	O3	108.5°	104.3°
O2	C4	C5	122.7°	119.4°
C4	C5	C1	113.0°	109.2°
C4	C5	H6	108.6°	109.5°
C4	C5	H5	108.6°	109.5°
C2	C1	C5	111.1°	108.5°
C2	C1	H2	109.1°	109.6°
C2	C1	H1	109.1°	109.8°
C1	C2	H3	107.6°	109.5°
C1	C5	H6	108.6°	109.5°
C1	C5	H5	108.6°	109.6°
C5	C1	H2	109.1°	109.6°
C5	C1	H1	109.1°	109.7°
O4	S1	O3	117.6°	121.0°
H6	C5	H5	109.5°	109.5°
H7	C6	H8	109.4°	109.5°
H2	C1	H1	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H11	180.0°	179.8°
C10	C11	C12	H12	180.0°	179.8°
C11	C10	C9	C8	0.7°	0.2°
C10	C11	C12	C7	0.1°	0.1°
C11	C10	C9	H10	179.3°	179.7°
C10	C11	C12	H13	179.8°	180.0°
C9	C10	C11	C12	0.4°	0.2°
C10	C9	C8	H10	180.0°	179.9°
C10	C9	C8	C7	0.4°	0.0°
C10	C9	C8	H9	179.7°	180.0°
C9	C10	C11	H12	179.6°	180.0°
C11	C12	C7	H13	180.0°	179.9°
C11	C12	C7	C8	0.5°	0.3°
C11	C12	C7	S1	179.9°	179.9°
C12	C11	C10	H11	179.6°	180.0°
C9	C8	C7	C12	0.2°	0.2°
C9	C8	C7	H9	180.0°	179.9°
C9	C8	C7	S1	179.8°	180.0°
C8	C9	C10	H11	179.3°	180.0°
O1	C3	N1	C2	179.3°	179.8°
O1	C3	N1	C4	174.5°	179.5°
O1	C3	C2	C6	31.1°	31.1°
O1	C3	C2	C1	154.7°	151.0°
O1	C3	N1	H4	5.5°	0.7°
O1	C3	C2	H3	87.8°	89.1°
C12	C7	C8	S1	179.6°	179.8°
C12	C7	S1	C6	83.2°	89.8°
C12	C7	S1	O4	28.7°	26.3°
C12	C7	S1	O3	157.4°	154.2°
C12	C7	C8	H9	179.8°	179.7°
C7	C12	C11	H12	179.9°	179.7°
C8	C7	S1	C6	97.1°	90.1°
C8	C7	S1	O4	151.0°	153.9°
C8	C7	S1	O3	22.2°	26.0°
C7	C8	C9	H10	179.6°	179.9°
C8	C7	C12	H13	179.5°	179.8°
C3	N1	C4	H4	180.0°	179.8°
N1	C3	C2	C6	148.2°	149.0°
C3	N1	C4	O2	170.9°	179.4°
C3	N1	C4	C5	7.6°	0.6°
N1	C3	C2	C1	24.6°	29.2°
N1	C3	C2	H3	92.9°	90.8°
C4	N1	C3	C2	6.2°	0.6°
N1	C4	O2	C5	178.4°	180.0°
N1	C4	C5	C1	22.1°	29.1°
N1	C4	C5	H6	142.7°	149.0°
N1	C4	C5	H5	98.4°	90.8°
C3	C2	C6	C1	124.7°	119.7°
C3	C2	C6	H3	119.0°	120.2°
C3	C2	C6	S1	154.2°	174.6°
C3	C2	C1	H3	117.7°	120.0°
C3	C2	C1	C5	52.2°	55.6°
C2	C3	N1	H4	173.8°	179.2°
C3	C2	C6	H7	33.3°	54.6°
C3	C2	C6	H8	84.9°	65.4°
C3	C2	C1	H2	172.5°	64.1°
C3	C2	C1	H1	68.0°	175.5°
C2	C6	S1	H7	120.9°	119.9°
C2	C6	S1	H8	120.9°	120.1°
C2	C6	S1	C7	168.7°	174.4°
C6	C2	C1	H3	116.3°	120.1°
C6	C2	C1	C5	178.3°	175.5°
C2	C6	S1	O4	77.5°	62.7°
C2	C6	S1	O3	51.8°	74.0°
C2	C6	H7	H8	117.2°	120.1°
C6	C2	C1	H2	61.4°	55.8°
C6	C2	C1	H1	58.1°	64.7°
C6	S1	C7	O4	111.9°	116.0°
C6	S1	C7	O3	119.3°	116.1°
S1	C6	C2	C1	81.1°	65.8°
C6	S1	O4	O3	126.0°	131.5°
S1	C6	H7	H8	117.2°	120.0°
S1	C6	C2	H3	35.2°	54.3°
C7	S1	O4	O3	123.5°	116.8°
C7	S1	C6	H7	70.4°	54.4°
C7	S1	C6	H8	47.7°	65.6°
S1	C7	C8	H9	0.1°	0.1°
S1	C7	C12	H13	0.1°	0.0°
O2	C4	C5	C1	159.4°	150.8°
O2	C4	N1	H4	9.1°	0.8°
O2	C4	C5	H6	38.9°	31.0°
O2	C4	C5	H5	80.1°	89.2°
C4	C5	C1	C2	51.6°	55.6°
C4	C5	C1	H6	120.5°	119.9°
C4	C5	C1	H5	120.5°	119.9°
C5	C4	N1	H4	172.4°	179.2°
C4	C5	H6	H5	118.4°	120.2°
C4	C5	C1	H2	171.9°	64.1°
C4	C5	C1	H1	68.6°	175.5°
C2	C1	C5	H2	120.3°	119.7°
C2	C1	C5	H1	120.2°	119.9°
C2	C1	C5	H6	172.2°	175.5°
C2	C1	C5	H5	68.9°	64.3°
C1	C2	C6	H7	158.0°	174.3°
C1	C2	C6	H8	39.8°	54.2°
C2	C1	H2	H1	119.2°	120.5°
C1	C5	H6	H5	118.4°	120.2°
C5	C1	H2	H1	119.3°	120.4°
C5	C1	C2	H3	65.4°	64.4°
O4	S1	C6	H7	43.4°	57.2°
O4	S1	C6	H8	161.5°	177.2°
O3	S1	C6	H7	172.7°	166.1°
O3	S1	C6	H8	69.1°	46.1°
H6	C5	C1	H2	67.6°	55.8°
H6	C5	C1	H1	51.9°	64.6°
H5	C5	C1	H2	51.4°	176.0°
H5	C5	C1	H1	170.9°	55.6°
H7	C6	C2	H3	85.7°	65.6°
H8	C6	C2	H3	156.2°	174.4°
H9	C8	C9	H10	0.4°	0.0°
H11	C10	C9	H10	0.7°	0.1°
H11	C10	C11	H12	0.4°	0.2°
H2	C1	C2	H3	54.9°	175.9°
H1	C1	C2	H3	174.4°	55.5°
H12	C11	C12	H13	0.1°	0.2°

Release date:	2023-01-11
Definition date:	2022-08-12
Last modified:	2023-09-23
Release status:	REL
Processing site:	PDBE
Derived from:	8AOQ