1HF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C	sing	1.39Å	1.38Å	Aromatic
N2	C	sing	1.39Å	1.41Å
N2	C8	sing	1.34Å	1.34Å
C2	C3	sing	1.39Å	1.40Å	Aromatic
C	C5	doub	1.40Å	1.37Å	Aromatic
O	C8	doub	1.22Å	1.22Å
C8	C6	sing	1.47Å	1.49Å
O3	S1	doub	1.42Å	1.47Å
C3	S1	sing	1.76Å	1.79Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.48Å	1.44Å
C5	C4	sing	1.39Å	1.39Å	Aromatic
C6	N	doub	1.32Å	1.29Å
S1	O5	doub	1.42Å	1.47Å
S1	O4	sing	1.52Å	1.47Å
N	N1	sing	1.29Å	1.49Å
N1	C7	doub	1.33Å	1.28Å
C7	S	sing	1.72Å	1.75Å
C7	N3	sing	1.36Å	1.37Å
S	C9	sing	1.77Å	1.73Å
N3	C12	sing	1.32Å	1.32Å
O2	C13	sing	1.34Å	1.37Å	Aromatic
O2	C11	sing	1.35Å	1.37Å	Aromatic
C13	C14	doub	1.35Å	1.37Å	Aromatic
C9	C12	sing	1.46Å	1.46Å
C9	C10	doub	1.37Å	1.38Å
C12	O1	doub	1.22Å	1.22Å
C11	C10	sing	1.41Å	1.35Å
C11	C15	doub	1.38Å	1.37Å	Aromatic
C14	C15	sing	1.40Å	1.43Å	Aromatic
C10	H9	sing	1.08Å	1.08Å
C13	H12	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.08Å	1.08Å
N2	H1	sing	0.97Å	1.00Å
N3	H8	sing	0.97Å	1.00Å
C14	H11	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
O4	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C	117.8°	120.1°
C1	C2	C3	120.2°	120.7°
C1	C2	H6	119.9°	119.7°
C2	C1	H7	121.1°	120.0°
C1	C	N2	129.0°	131.8°
C1	C	C5	122.2°	119.1°
C	C1	H7	121.1°	119.9°
C	N2	C8	112.2°	111.3°
N2	C	C5	108.8°	109.1°
C	N2	H1	123.9°	124.3°
N2	C8	O	123.9°	125.9°
N2	C8	C6	104.8°	108.1°
C8	N2	H1	123.9°	124.4°
C2	C3	S1	121.4°	120.0°
C2	C3	C4	120.7°	120.1°
C3	C2	H6	119.9°	119.6°
C	C5	C6	106.9°	106.4°
C	C5	C4	120.9°	120.3°
O	C8	C6	131.3°	126.0°
C8	C6	C5	107.2°	105.1°
C8	C6	N	121.0°	127.5°
O3	S1	C3	106.5°	106.4°
O3	S1	O5	114.6°	123.2°
O3	S1	O4	115.2°	106.4°
S1	C3	C4	117.8°	119.9°
C3	S1	O5	103.6°	106.4°
C3	S1	O4	102.5°	107.2°
C3	C4	C5	117.9°	119.7°
C3	C4	H4	121.1°	120.2°
C6	C5	C4	132.2°	133.3°
C5	C6	N	131.8°	127.4°
C5	C4	H4	121.0°	120.1°
C6	N	N1	119.8°	120.0°
O5	S1	O4	112.7°	106.4°
S1	O4	H2	109.5°	114.0°
N	N1	C7	111.8°	120.0°
N1	C7	S	128.4°	126.2°
N1	C7	N3	123.5°	126.1°
S	C7	N3	108.1°	107.7°
C7	S	C9	91.4°	95.2°
C7	N3	C12	120.6°	118.8°
C7	N3	H8	119.7°	120.6°
S	C9	C12	111.2°	104.3°
S	C9	C10	122.1°	127.9°
N3	C12	C9	108.7°	114.1°
N3	C12	O1	122.5°	122.9°
C12	N3	H8	119.7°	120.6°
C13	O2	C11	103.5°	109.4°
O2	C13	C14	112.7°	109.1°
O2	C13	H12	123.6°	125.4°
O2	C11	C10	125.8°	126.1°
O2	C11	C15	112.9°	107.7°
C13	C14	C15	105.5°	107.2°
C14	C13	H12	123.6°	125.5°
C13	C14	H11	127.3°	126.4°
C12	C9	C10	126.7°	127.8°
C9	C12	O1	128.8°	123.0°
C9	C10	C11	127.6°	120.0°
C9	C10	H9	116.2°	120.0°
C10	C11	C15	121.0°	126.1°
C11	C10	H9	116.2°	120.0°
C11	C15	C14	105.3°	106.5°
C11	C15	H10	127.4°	126.8°
C15	C14	H11	127.3°	126.4°
C14	C15	H10	127.3°	126.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C	H7	180.0°	180.0°
C2	C1	C	N2	173.7°	179.8°
C1	C2	C3	H6	180.0°	179.9°
C2	C1	C	C5	5.6°	0.1°
C1	C2	C3	S1	176.5°	180.0°
C1	C2	C3	C4	1.0°	0.0°
C1	C	N2	C5	179.4°	179.8°
C1	C	N2	C8	179.8°	179.7°
C	C1	C2	C3	3.4°	0.1°
C1	C	C5	C6	178.7°	180.0°
C1	C	C5	C4	3.2°	0.0°
C	C1	C2	H6	176.6°	180.0°
C1	C	N2	H1	0.2°	0.3°
C	N2	C8	H1	180.0°	180.0°
C	N2	C8	O	176.8°	179.8°
C	N2	C8	C6	1.2°	0.2°
N2	C	C5	C6	1.9°	0.2°
N2	C	C5	C4	176.2°	179.8°
N2	C	C1	H7	6.3°	0.2°
C8	N2	C	C5	0.4°	0.0°
N2	C8	O	C6	177.4°	179.9°
N2	C8	C6	C5	2.3°	0.3°
N2	C8	C6	N	180.0°	180.0°
C2	C3	S1	O3	3.6°	156.5°
C2	C3	S1	C4	177.5°	180.0°
C2	C3	C4	C5	3.4°	0.0°
C2	C3	S1	O5	117.6°	23.5°
C2	C3	S1	O4	125.0°	90.0°
C2	C3	C4	H4	176.6°	180.0°
C3	C2	C1	H7	176.6°	179.9°
C	C5	C6	C8	2.6°	0.3°
C	C5	C4	C3	1.4°	0.0°
C	C5	C6	C4	177.8°	180.0°
C	C5	C6	N	179.9°	180.0°
C	C5	C4	H4	178.6°	180.0°
C5	C	C1	H7	174.4°	179.9°
C5	C	N2	H1	179.6°	180.0°
O	C8	C6	C5	175.5°	179.7°
O	C8	C6	N	2.2°	0.0°
O	C8	N2	H1	3.2°	0.2°
C8	C6	C5	N	177.3°	179.7°
C8	C6	C5	C4	175.2°	179.7°
C8	C6	N	N1	175.3°	179.7°
C6	C8	N2	H1	178.8°	179.8°
O3	S1	C3	O5	121.2°	133.0°
O3	S1	C3	O4	121.4°	113.5°
O3	S1	C3	C4	174.0°	23.5°
O3	S1	O5	O4	134.4°	123.0°
O3	S1	O4	H2	134.1°	66.5°
S1	C3	C4	C5	174.1°	180.0°
C3	S1	O5	O4	110.0°	114.1°
S1	C3	C4	H4	5.8°	0.0°
S1	C3	C2	H6	3.5°	0.0°
C3	S1	O4	H2	110.7°	180.0°
C3	C4	C5	C6	176.1°	180.0°
C3	C4	C5	H4	180.0°	180.0°
C4	C3	S1	O5	64.8°	156.5°
C4	C3	S1	O4	52.6°	90.0°
C4	C3	C2	H6	179.0°	180.0°
C5	C6	N	N1	7.7°	0.0°
C6	C5	C4	H4	3.8°	0.0°
C4	C5	C6	N	2.1°	0.0°
C6	N	N1	C7	164.6°	180.0°
O5	S1	O4	H2	0.0°	66.5°
N	N1	C7	S	1.9°	0.0°
N	N1	C7	N3	175.8°	179.7°
N1	C7	S	N3	178.0°	179.7°
N1	C7	S	C9	176.0°	180.0°
N1	C7	N3	C12	175.9°	179.8°
N1	C7	N3	H8	4.1°	0.3°
S	C7	N3	C12	2.2°	0.5°
C7	S	C9	C12	1.5°	0.0°
C7	S	C9	C10	177.0°	179.7°
S	C7	N3	H8	177.8°	180.0°
N3	C7	S	C9	2.0°	0.3°
C7	N3	C12	H8	180.0°	179.5°
C7	N3	C12	C9	1.1°	0.6°
C7	N3	C12	O1	176.1°	179.5°
S	C9	C12	N3	0.6°	0.3°
S	C9	C12	C10	178.5°	179.7°
S	C9	C12	O1	177.6°	179.8°
S	C9	C10	C11	3.6°	0.4°
S	C9	C10	H9	176.4°	179.7°
N3	C12	C9	O1	177.0°	179.9°
N3	C12	C9	C10	177.8°	180.0°
O2	C13	C14	H12	180.0°	179.7°
C13	O2	C11	C10	171.9°	179.9°
C13	O2	C11	C15	2.2°	0.2°
O2	C13	C14	C15	1.7°	0.2°
O2	C13	C14	H11	178.4°	179.8°
C11	O2	C13	C14	2.3°	0.0°
O2	C11	C10	C9	1.7°	0.4°
O2	C11	C10	C15	173.7°	179.6°
O2	C11	C15	C14	1.2°	0.4°
O2	C11	C10	H9	178.3°	179.6°
C11	O2	C13	H12	177.7°	179.7°
O2	C11	C15	H10	178.8°	180.0°
C13	C14	C15	C11	0.2°	0.4°
C13	C14	C15	H11	180.0°	180.0°
C13	C14	C15	H10	179.7°	180.0°
C12	C9	C10	C11	174.8°	180.0°
C12	C9	C10	H9	5.3°	0.0°
C9	C12	N3	H8	178.9°	179.9°
C10	C9	C12	O1	0.8°	0.1°
C9	C10	C11	H9	180.0°	180.0°
C9	C10	C11	C15	175.4°	180.0°
O1	C12	N3	H8	3.9°	0.0°
C10	C11	C15	C14	173.2°	180.0°
C10	C11	C15	H10	6.8°	0.3°
C11	C15	C14	H10	180.0°	179.7°
C15	C11	C10	H9	4.6°	0.0°
C11	C15	C14	H11	179.8°	179.7°
C15	C14	C13	H12	178.3°	180.0°
H12	C13	C14	H11	1.6°	0.1°
H6	C2	C1	H7	3.4°	0.0°
H11	C14	C15	H10	0.2°	0.0°

Release date:	2013-02-22
Definition date:	2013-02-06
Last modified:	2020-02-14
Release status:	REL
Processing site:	RCSB
Derived from:	2M3Z