LFM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	N3	sing	1.39Å	1.38Å	Aromatic
N2	C8	doub	1.31Å	1.33Å	Aromatic
C9	N3	sing	1.47Å	1.46Å
C9	C10	sing	1.54Å	1.51Å
N3	C12	sing	1.35Å	1.35Å	Aromatic
C8	C7	sing	1.42Å	1.41Å	Aromatic
C10	C11	sing	1.53Å	1.53Å
C11	O2	sing	1.44Å	1.44Å
C12	C7	doub	1.38Å	1.41Å	Aromatic
C12	O2	sing	1.35Å	1.35Å
C7	C6	sing	1.47Å	1.48Å
C6	N1	sing	1.35Å	1.34Å
C6	O1	doub	1.22Å	1.25Å
N1	C5	sing	1.47Å	1.46Å
C5	C4	sing	1.51Å	1.51Å
C4	C13	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C14	C1	doub	1.39Å	1.37Å	Aromatic
C2	C1	sing	1.38Å	1.36Å	Aromatic
C1	F1	sing	1.35Å	1.36Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	N2	C8	108.1°	109.0°
N2	N3	C9	123.1°	127.9°
N2	N3	C12	109.5°	108.5°
N2	C8	C7	109.7°	108.2°
N2	C8	H4	125.1°	125.8°
N3	C9	C10	109.2°	108.0°
C9	N3	C12	127.5°	123.5°
N3	C9	H13	109.6°	109.8°
N3	C9	H14	109.5°	109.7°
C9	C10	C11	112.1°	109.2°
C9	C10	H5	108.8°	109.6°
C9	C10	H6	108.8°	109.5°
C10	C9	H13	109.5°	109.7°
C10	C9	H14	109.5°	109.7°
N3	C12	C7	107.4°	107.3°
N3	C12	O2	121.4°	123.9°
C8	C7	C12	105.4°	106.9°
C8	C7	C6	127.7°	126.5°
C7	C8	H4	125.2°	125.9°
C10	C11	O2	112.9°	109.1°
C11	C10	H5	108.8°	109.5°
C11	C10	H6	108.8°	109.5°
C10	C11	H8	108.6°	109.6°
C10	C11	H9	108.6°	109.5°
C11	O2	C12	112.9°	115.0°
O2	C11	H8	108.6°	109.6°
O2	C11	H9	108.6°	109.5°
C7	C12	O2	131.2°	128.8°
C12	C7	C6	126.8°	126.5°
C7	C6	N1	118.3°	120.0°
C7	C6	O1	119.7°	120.0°
N1	C6	O1	121.9°	120.0°
C6	N1	C5	121.8°	120.0°
C6	N1	H1	119.1°	120.0°
N1	C5	C4	112.4°	109.5°
C5	N1	H1	119.1°	120.0°
N1	C5	H2	108.7°	109.5°
N1	C5	H3	108.7°	109.5°
C5	C4	C13	121.3°	119.9°
C5	C4	C3	120.4°	120.0°
C4	C5	H2	108.7°	109.5°
C4	C5	H3	108.7°	109.5°
C13	C4	C3	118.3°	120.1°
C4	C13	C14	121.0°	120.0°
C4	C13	H7	119.5°	120.0°
C4	C3	C2	121.4°	120.0°
C4	C3	H12	119.3°	120.0°
C13	C14	C1	118.3°	120.0°
C14	C13	H7	119.5°	120.0°
C13	C14	H10	120.8°	120.0°
C3	C2	C1	118.1°	120.0°
C3	C2	H11	120.9°	120.0°
C2	C3	H12	119.3°	120.0°
C14	C1	C2	122.8°	119.9°
C14	C1	F1	118.8°	120.0°
C1	C14	H10	120.8°	120.0°
C2	C1	F1	118.4°	120.0°
C1	C2	H11	121.0°	120.0°
H2	C5	H3	109.5°	109.4°
H5	C10	H6	109.5°	109.5°
H8	C11	H9	109.4°	109.5°
H13	C9	H14	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N3	C9	C12	179.6°	179.7°
N2	N3	C9	C10	175.6°	162.7°
N3	N2	C8	C7	0.0°	0.3°
N2	N3	C12	C7	1.0°	0.1°
N2	N3	C12	O2	179.8°	180.0°
N3	N2	C8	H4	180.0°	179.8°
N2	N3	C9	H13	64.4°	77.7°
N2	N3	C9	H14	55.7°	43.1°
C8	N2	N3	C9	179.6°	179.7°
C8	N2	N3	C12	0.7°	0.1°
N2	C8	C7	H4	180.0°	179.9°
N2	C8	C7	C12	0.6°	0.3°
N2	C8	C7	C6	177.4°	179.9°
N3	C9	C10	H13	120.0°	119.7°
N3	C9	C10	H14	120.0°	119.6°
N3	C9	C10	C11	30.7°	47.2°
C9	N3	C12	C7	179.3°	179.9°
C9	N3	C12	O2	0.1°	0.2°
N3	C9	C10	H5	151.1°	72.8°
N3	C9	C10	H6	89.7°	167.1°
N3	C9	H13	H14	120.1°	120.8°
C10	C9	N3	C12	4.7°	17.1°
C9	C10	C11	H5	120.4°	120.0°
C9	C10	C11	H6	120.4°	119.9°
C9	C10	C11	O2	55.8°	64.2°
C9	C10	H5	H6	118.8°	120.1°
C9	C10	C11	H8	64.7°	55.8°
C9	C10	C11	H9	176.3°	175.9°
C10	C9	H13	H14	120.1°	120.7°
N3	C12	C7	C8	1.0°	0.3°
N3	C12	O2	C11	23.7°	15.6°
N3	C12	C7	O2	179.0°	179.9°
N3	C12	C7	C6	177.8°	179.9°
C12	N3	C9	H13	115.2°	102.6°
C12	N3	C9	H14	124.7°	136.6°
C8	C7	C12	C6	176.8°	179.6°
C8	C7	C12	O2	180.0°	179.8°
C8	C7	C6	N1	17.9°	0.1°
C8	C7	C6	O1	160.1°	179.9°
C10	C11	O2	H8	120.5°	120.0°
C10	C11	O2	H9	120.5°	119.9°
C10	C11	O2	C12	50.9°	47.0°
C11	C10	H5	H6	118.8°	120.1°
C10	C11	H8	H9	118.5°	120.2°
C11	C10	C9	H13	89.2°	72.5°
C11	C10	C9	H14	150.7°	166.8°
C11	O2	C12	C7	157.4°	164.3°
O2	C11	C10	H5	176.2°	55.8°
O2	C11	C10	H6	64.6°	175.9°
O2	C11	H8	H9	118.4°	120.1°
C12	C7	C6	N1	166.0°	179.6°
C12	C7	C6	O1	16.0°	0.4°
C12	C7	C8	H4	179.4°	179.8°
O2	C12	C7	C6	3.2°	0.2°
C12	O2	C11	H8	69.6°	73.0°
C12	O2	C11	H9	171.4°	166.9°
C7	C6	N1	O1	177.9°	180.0°
C7	C6	N1	C5	178.6°	180.0°
C7	C6	N1	H1	1.4°	0.2°
C6	C7	C8	H4	2.6°	0.2°
C6	N1	C5	H1	180.0°	179.8°
C6	N1	C5	C4	63.1°	179.7°
C6	N1	C5	H2	176.5°	59.7°
C6	N1	C5	H3	57.3°	60.2°
O1	C6	N1	C5	3.5°	0.0°
O1	C6	N1	H1	176.5°	179.8°
N1	C5	C4	H2	120.4°	120.0°
N1	C5	C4	H3	120.4°	120.0°
N1	C5	C4	C13	111.4°	90.0°
N1	C5	C4	C3	68.3°	90.3°
N1	C5	H2	H3	118.7°	120.0°
C5	C4	C13	C3	179.8°	179.8°
C5	C4	C13	C14	179.5°	179.8°
C5	C4	C3	C2	179.4°	179.7°
C4	C5	N1	H1	116.9°	0.0°
C4	C5	H2	H3	118.7°	120.0°
C5	C4	C13	H7	0.5°	0.2°
C5	C4	C3	H12	0.6°	0.2°
C4	C13	C14	H7	180.0°	179.9°
C13	C4	C3	C2	0.4°	0.1°
C4	C13	C14	C1	0.7°	0.0°
C13	C4	C5	H2	128.1°	30.1°
C13	C4	C5	H3	9.0°	150.0°
C4	C13	C14	H10	179.3°	180.0°
C13	C4	C3	H12	179.6°	180.0°
C3	C4	C13	C14	0.3°	0.0°
C4	C3	C2	H12	180.0°	179.9°
C4	C3	C2	C1	0.8°	0.1°
C3	C4	C5	H2	52.1°	149.7°
C3	C4	C5	H3	171.2°	29.7°
C3	C4	C13	H7	179.7°	180.0°
C4	C3	C2	H11	179.2°	180.0°
C13	C14	C1	H10	180.0°	179.9°
C13	C14	C1	C2	1.2°	0.0°
C13	C14	C1	F1	179.7°	180.0°
C3	C2	C1	C14	1.3°	0.0°
C3	C2	C1	H11	180.0°	179.9°
C3	C2	C1	F1	179.7°	179.9°
C14	C1	C2	F1	179.1°	179.9°
C1	C14	C13	H7	179.3°	179.9°
C14	C1	C2	H11	178.7°	179.9°
C2	C1	C14	H10	178.8°	180.0°
C1	C2	C3	H12	179.2°	180.0°
F1	C1	C14	H10	0.3°	0.1°
F1	C1	C2	H11	0.3°	0.0°
H1	N1	C5	H2	3.5°	120.0°
H1	N1	C5	H3	122.7°	120.0°
H5	C10	C11	H8	55.7°	175.8°
H5	C10	C11	H9	63.3°	64.0°
H5	C10	C9	H13	31.1°	167.5°
H5	C10	C9	H14	88.9°	46.8°
H6	C10	C11	H8	174.9°	64.1°
H6	C10	C11	H9	55.9°	56.0°
H6	C10	C9	H13	150.4°	47.4°
H6	C10	C9	H14	30.3°	73.3°
H7	C13	C14	H10	0.7°	0.0°
H11	C2	C3	H12	0.8°	0.1°

Release date:	2019-05-08
Definition date:	2019-02-22
Last modified:	2019-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	5QOX