4FP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C2	sing	1.34Å	1.35Å
C2	C3	sing	1.39Å	1.39Å	Aromatic
C2	C14	doub	1.39Å	1.39Å	Aromatic
C3	C4	doub	1.40Å	1.38Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	C5	sing	1.39Å	1.39Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C5	C6	sing	1.50Å	1.51Å
C5	C13	doub	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.53Å	1.51Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.10Å	1.10Å
C7	C12	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.53Å
C7	H7	sing	1.10Å	1.10Å
C8	C9	sing	1.53Å	1.52Å
C8	H81	sing	1.10Å	1.10Å
C8	H82	sing	1.10Å	1.10Å
C9	N10	sing	1.46Å	1.49Å
C9	H91	sing	1.10Å	1.10Å
C9	H92	sing	1.10Å	1.10Å
N10	C11	sing	1.46Å	1.49Å
N10	HN10	sing	1.02Å	1.00Å
C11	C12	sing	1.53Å	1.52Å
C11	H111	sing	1.10Å	1.10Å
C11	H112	sing	1.10Å	1.10Å
C12	H121	sing	1.10Å	1.10Å
C12	H122	sing	1.10Å	1.10Å
C13	C14	sing	1.39Å	1.38Å	Aromatic
C13	H13	sing	1.09Å	1.08Å
C14	H14	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C2	C3	119.9°	119.9°
F1	C2	C14	120.2°	120.0°
C3	C2	C14	119.9°	120.0°
C2	C3	C4	120.0°	120.0°
C2	C3	H3	120.0°	120.0°
C2	C14	C13	119.9°	120.0°
C2	C14	H14	120.0°	120.0°
C4	C3	H3	120.0°	120.0°
C3	C4	C5	120.4°	119.5°
C3	C4	H4	119.8°	119.5°
C5	C4	H4	119.8°	121.0°
C4	C5	C6	120.3°	119.5°
C4	C5	C13	119.3°	121.0°
C6	C5	C13	120.4°	119.6°
C5	C6	C7	113.5°	111.7°
C5	C6	H61	108.1°	109.9°
C5	C6	H62	107.3°	109.9°
C5	C13	C14	120.3°	119.6°
C5	C13	H13	119.8°	121.0°
C7	C6	H61	108.2°	109.5°
C7	C6	H62	107.2°	109.5°
C6	C7	C12	111.3°	111.1°
C6	C7	C8	110.2°	111.1°
C6	C7	H7	108.1°	107.6°
H61	C6	H62	112.7°	106.2°
C12	C7	C8	110.5°	110.0°
C12	C7	H7	107.7°	108.5°
C7	C12	C11	111.6°	111.2°
C7	C12	H121	108.8°	109.9°
C7	C12	H122	108.3°	109.8°
C8	C7	H7	109.0°	108.5°
C7	C8	C9	111.4°	111.2°
C7	C8	H81	108.8°	109.8°
C7	C8	H82	108.4°	109.9°
C9	C8	H81	108.8°	109.4°
C9	C8	H82	108.4°	109.5°
C8	C9	N10	110.3°	111.9°
C8	C9	H91	109.2°	110.2°
C8	C9	H92	109.0°	109.0°
H81	C8	H82	111.0°	106.9°
N10	C9	H91	109.2°	110.0°
N10	C9	H92	109.0°	108.8°
C9	N10	C11	110.8°	110.9°
C9	N10	HN10	109.0°	109.3°
H91	C9	H92	110.1°	106.8°
C11	N10	HN10	109.0°	109.3°
N10	C11	C12	109.4°	111.8°
N10	C11	H111	109.5°	108.7°
N10	C11	H112	109.5°	110.1°
C12	C11	H111	109.5°	109.0°
C12	C11	H112	109.5°	110.2°
C11	C12	H121	108.7°	109.5°
C11	C12	H122	108.3°	109.4°
H111	C11	H112	109.4°	106.9°
H121	C12	H122	111.2°	106.9°
C14	C13	H13	119.8°	119.5°
C13	C14	H14	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C2	C3	C14	179.9°	180.0°
F1	C2	C3	C4	179.4°	180.0°
F1	C2	C3	H3	0.7°	0.0°
F1	C2	C14	C13	179.5°	180.0°
F1	C2	C14	H14	0.5°	0.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C2	C3	C4	H4	179.7°	180.0°
C3	C2	C14	C13	0.4°	0.1°
C3	C2	C14	H14	179.6°	180.0°
C14	C2	C3	C4	0.6°	0.0°
C14	C2	C3	H3	179.4°	180.0°
C2	C14	C13	C5	0.0°	0.0°
C2	C14	C13	H14	180.0°	180.0°
C2	C14	C13	H13	179.9°	180.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	179.9°	180.0°
C3	C4	C5	C13	0.1°	0.0°
H3	C3	C4	C5	179.7°	180.0°
H3	C3	C4	H4	0.3°	0.0°
C4	C5	C6	C13	179.9°	180.0°
C4	C5	C6	C7	89.2°	90.0°
C4	C5	C6	H61	30.8°	31.7°
C4	C5	C6	H62	152.5°	148.3°
C4	C5	C13	C14	0.2°	0.0°
C4	C5	C13	H13	179.8°	179.9°
H4	C4	C5	C6	0.1°	0.0°
H4	C4	C5	C13	179.9°	180.0°
C5	C6	C7	H61	120.0°	122.0°
C5	C6	C7	H62	118.2°	121.9°
C5	C6	H61	H62	118.4°	118.8°
C5	C6	C7	C12	45.3°	78.6°
C5	C6	C7	C8	168.2°	158.7°
C5	C6	C7	H7	72.8°	40.0°
C6	C5	C13	C14	179.7°	180.0°
C6	C5	C13	H13	0.2°	0.1°
C13	C5	C6	C7	90.8°	90.0°
C13	C5	C6	H61	149.2°	148.3°
C13	C5	C6	H62	27.4°	31.7°
C5	C13	C14	H13	180.0°	179.9°
C5	C13	C14	H14	180.0°	180.0°
C7	C6	H61	H62	118.4°	118.1°
C6	C7	C12	C8	122.7°	123.4°
C6	C7	C12	H7	118.3°	118.1°
C6	C7	C8	H7	118.4°	118.1°
C6	C7	C8	C9	175.6°	175.5°
C6	C7	C8	H81	55.6°	54.3°
C6	C7	C8	H82	65.2°	63.0°
C6	C7	C12	C11	175.9°	175.5°
C6	C7	C12	H121	64.1°	63.1°
C6	C7	C12	H122	56.9°	54.3°
H61	C6	C7	C12	74.7°	159.4°
H61	C6	C7	C8	48.3°	36.7°
H61	C6	C7	H7	167.2°	82.0°
H62	C6	C7	C12	163.6°	43.3°
H62	C6	C7	C8	73.5°	79.4°
H62	C6	C7	H7	45.4°	161.9°
C12	C7	C8	H7	118.2°	118.5°
C12	C7	C8	C9	52.2°	52.1°
C12	C7	C8	H81	67.8°	69.1°
C12	C7	C8	H82	171.4°	173.6°
C7	C12	C11	N10	57.4°	55.9°
C7	C12	C11	H121	120.0°	121.7°
C7	C12	C11	H122	119.1°	121.5°
C7	C12	C11	H111	62.6°	176.2°
C7	C12	C11	H112	177.4°	66.8°
C7	C12	H121	H122	119.1°	119.2°
C7	C8	C9	H81	120.0°	121.5°
C7	C8	C9	H82	119.2°	121.7°
C7	C8	H81	H82	119.2°	119.2°
C7	C8	C9	N10	56.1°	55.9°
C7	C8	C9	H91	176.1°	66.8°
C7	C8	C9	H92	63.6°	176.2°
C8	C7	C12	C11	53.2°	52.2°
C8	C7	C12	H121	173.2°	173.6°
C8	C7	C12	H122	65.9°	69.1°
H7	C7	C8	C9	66.0°	66.4°
H7	C7	C8	H81	174.0°	172.4°
H7	C7	C8	H82	53.2°	55.1°
H7	C7	C12	C11	65.7°	66.4°
H7	C7	C12	H121	54.3°	55.0°
H7	C7	C12	H122	175.2°	172.4°
C9	C8	H81	H82	119.2°	118.5°
C8	C9	N10	H91	120.0°	122.8°
C8	C9	N10	H92	119.7°	120.5°
C8	C9	H91	H92	119.6°	118.3°
C8	C9	N10	C11	60.8°	58.6°
C8	C9	N10	HN10	59.2°	179.1°
H81	C8	C9	N10	63.9°	65.6°
H81	C8	C9	H91	56.1°	171.7°
H81	C8	C9	H92	176.4°	54.8°
H82	C8	C9	N10	175.3°	177.6°
H82	C8	C9	H91	64.7°	54.9°
H82	C8	C9	H92	55.6°	62.1°
N10	C9	H91	H92	119.6°	117.9°
C9	N10	C11	HN10	120.0°	120.5°
C9	N10	C11	C12	61.1°	58.6°
C9	N10	C11	H111	58.9°	179.0°
C9	N10	C11	H112	178.8°	64.2°
H91	C9	N10	C11	179.2°	64.2°
H91	C9	N10	HN10	60.8°	56.3°
H92	C9	N10	C11	58.9°	179.1°
H92	C9	N10	HN10	178.9°	60.4°
N10	C11	C12	H111	120.0°	120.2°
N10	C11	C12	H112	120.0°	122.7°
N10	C11	H111	H112	120.0°	118.8°
N10	C11	C12	H121	177.4°	177.6°
N10	C11	C12	H122	61.7°	65.6°
HN10	N10	C11	C12	58.9°	179.1°
HN10	N10	C11	H111	178.9°	60.5°
HN10	N10	C11	H112	61.2°	56.3°
C12	C11	H111	H112	120.1°	119.1°
C11	C12	H121	H122	119.1°	118.4°
H111	C11	C12	H121	57.4°	62.2°
H111	C11	C12	H122	178.3°	54.7°
H112	C11	C12	H121	62.5°	54.8°
H112	C11	C12	H122	58.4°	171.7°
H13	C13	C14	H14	0.1°	0.1°

Definition date:	2007-01-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ