PF7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C18	doub	1.24Å	1.24Å
C18	N15	sing	1.34Å	1.34Å
C18	OXT	sing	1.33Å	1.33Å
N15	C16	sing	1.47Å	1.47Å
N15	C14	sing	1.47Å	1.47Å
C16	C17	sing	1.54Å	1.54Å
C17	C12	sing	1.53Å	1.53Å
C12	C13	sing	1.52Å	1.52Å
C12	C11	sing	1.53Å	1.53Å
C13	C14	sing	1.53Å	1.53Å
C11	C9	sing	1.51Å	1.51Å
C9	C10	sing	1.39Å	1.39Å	Aromatic
C9	C8	doub	1.39Å	1.39Å	Aromatic
C10	C3	doub	1.40Å	1.40Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.41Å	1.41Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.41Å	1.41Å	Aromatic
C6	C1	doub	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.40Å	1.40Å	Aromatic
C2	N7	doub	1.39Å	1.39Å	Aromatic
N7	C8	sing	1.40Å	1.40Å	Aromatic
OXT	HOT	sing	0.95Å	0.95Å
C16	H161	sing	1.10Å	1.10Å
C16	H162	sing	1.10Å	1.10Å
C14	H141	sing	1.10Å	1.10Å
C14	H142	sing	1.10Å	1.10Å
C17	H171	sing	1.10Å	1.10Å
C17	H172	sing	1.10Å	1.10Å
C12	H12	sing	1.10Å	1.10Å
C13	H131	sing	1.10Å	1.10Å
C13	H132	sing	1.10Å	1.10Å
C11	H111	sing	1.10Å	1.10Å
C11	H112	sing	1.10Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C18	N15	120.9°	120.9°
O19	C18	OXT	107.4°	107.4°
N15	C18	OXT	131.6°	131.6°
C18	N15	C16	123.5°	123.5°
C18	N15	C14	119.5°	119.5°
C18	OXT	HOT	109.5°	109.5°
C16	N15	C14	116.9°	116.9°
N15	C16	C17	104.7°	104.7°
N15	C16	H161	111.1°	111.1°
N15	C16	H162	112.1°	112.1°
N15	C14	C13	107.6°	107.6°
N15	C14	H141	110.1°	110.1°
N15	C14	H142	110.5°	110.5°
C16	C17	C12	112.5°	112.5°
C17	C16	H161	111.1°	111.1°
C17	C16	H162	112.2°	112.1°
C16	C17	H171	108.5°	108.5°
C16	C17	H172	107.8°	107.8°
C17	C12	C13	108.3°	108.3°
C17	C12	C11	110.8°	110.8°
C12	C17	H171	108.5°	108.5°
C12	C17	H172	107.8°	107.8°
C17	C12	H12	109.4°	109.3°
C13	C12	C11	109.4°	109.4°
C12	C13	C14	110.3°	110.3°
C13	C12	H12	110.7°	110.8°
C12	C13	H131	109.2°	109.2°
C12	C13	H132	109.0°	109.0°
C12	C11	C9	110.6°	110.6°
C11	C12	H12	108.3°	108.3°
C12	C11	H111	109.1°	109.1°
C12	C11	H112	108.8°	108.8°
C13	C14	H141	110.1°	110.1°
C13	C14	H142	110.5°	110.5°
C14	C13	H131	109.2°	109.2°
C14	C13	H132	109.0°	109.0°
C11	C9	C10	121.1°	121.1°
C11	C9	C8	119.0°	119.0°
C9	C11	H111	109.1°	109.1°
C9	C11	H112	108.8°	108.8°
C10	C9	C8	119.9°	119.9°
C9	C10	C3	119.5°	119.5°
C9	C10	H10	120.2°	120.2°
C9	C8	N7	120.9°	120.9°
C9	C8	H8	119.5°	119.5°
C10	C3	C4	120.1°	120.1°
C10	C3	C2	120.5°	120.5°
C3	C10	H10	120.2°	120.2°
C4	C3	C2	119.4°	119.4°
C3	C4	C5	120.0°	120.0°
C3	C4	H4	120.0°	120.0°
C3	C2	C1	120.8°	120.8°
C3	C2	N7	119.6°	119.6°
C4	C5	C6	120.6°	120.6°
C5	C4	H4	120.0°	120.0°
C4	C5	H5	119.7°	119.7°
C5	C6	C1	119.9°	119.9°
C6	C5	H5	119.7°	119.7°
C5	C6	H6	120.1°	120.1°
C6	C1	C2	119.3°	119.3°
C1	C6	H6	120.1°	120.1°
C6	C1	H1	120.3°	120.3°
C1	C2	N7	119.6°	119.6°
C2	C1	H1	120.3°	120.3°
C2	N7	C8	119.5°	119.5°
N7	C8	H8	119.5°	119.5°
H161	C16	H162	105.8°	105.8°
H141	C14	H142	108.0°	108.0°
H171	C17	H172	111.8°	111.8°
H131	C13	H132	110.1°	110.1°
H111	C11	H112	110.4°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C18	N15	OXT	177.2°	177.2°
O19	C18	N15	C16	0.4°	0.4°
O19	C18	N15	C14	178.8°	178.8°
O19	C18	OXT	HOT	0.0°	0.0°
C18	N15	C16	C14	179.2°	179.2°
C18	N15	C16	C17	121.1°	121.1°
C18	N15	C14	C13	119.6°	119.6°
N15	C18	OXT	HOT	177.5°	177.5°
C18	N15	C16	H161	1.1°	1.1°
C18	N15	C16	H162	117.1°	117.1°
C18	N15	C14	H141	120.4°	120.4°
C18	N15	C14	H142	1.2°	1.2°
OXT	C18	N15	C16	177.6°	177.6°
OXT	C18	N15	C14	1.6°	1.6°
N15	C16	C17	H161	120.0°	120.0°
N15	C16	C17	H162	121.8°	121.8°
N15	C16	C17	C12	57.0°	57.0°
C16	N15	C14	C13	61.2°	61.2°
N15	C16	H161	H162	121.9°	122.0°
C16	N15	C14	H141	58.8°	58.8°
C16	N15	C14	H142	178.0°	178.0°
N15	C16	C17	H171	63.0°	63.0°
N15	C16	C17	H172	175.7°	175.7°
C14	N15	C16	C17	59.7°	59.7°
N15	C14	C13	C12	57.1°	57.1°
N15	C14	C13	H141	120.0°	120.0°
N15	C14	C13	H142	120.7°	120.7°
C14	N15	C16	H161	179.7°	179.7°
C14	N15	C16	H162	62.1°	62.1°
N15	C14	H141	H142	120.7°	120.7°
N15	C14	C13	H131	62.9°	62.9°
N15	C14	C13	H132	176.8°	176.8°
C16	C17	C12	H171	120.0°	120.0°
C16	C17	C12	H172	118.7°	118.7°
C16	C17	C12	C13	59.3°	59.3°
C16	C17	C12	C11	179.2°	179.2°
C17	C16	H161	H162	122.0°	121.9°
C16	C17	H171	H172	118.8°	118.8°
C16	C17	C12	H12	61.5°	61.5°
C17	C12	C13	C11	120.8°	120.8°
C17	C12	C13	H12	119.9°	119.9°
C17	C12	C11	H12	119.9°	119.9°
C17	C12	C13	C14	57.8°	57.8°
C17	C12	C11	C9	88.6°	88.6°
C12	C17	C16	H161	177.0°	177.0°
C12	C17	C16	H162	64.8°	64.8°
C12	C17	H171	H172	118.7°	118.7°
C17	C12	C13	H131	62.2°	62.2°
C17	C12	C13	H132	177.5°	177.5°
C17	C12	C11	H111	151.4°	151.4°
C17	C12	C11	H112	30.9°	30.9°
C13	C12	C11	H12	120.8°	120.8°
C12	C13	C14	H131	120.0°	120.0°
C12	C13	C14	H132	119.7°	119.7°
C13	C12	C11	C9	152.1°	152.1°
C12	C13	C14	H141	62.9°	62.9°
C12	C13	C14	H142	177.8°	177.8°
C13	C12	C17	H171	60.7°	60.8°
C13	C12	C17	H172	178.0°	178.0°
C12	C13	H131	H132	119.7°	119.7°
C13	C12	C11	H111	32.1°	32.1°
C13	C12	C11	H112	88.4°	88.4°
C11	C12	C13	C14	178.6°	178.6°
C12	C11	C9	H111	120.0°	120.0°
C12	C11	C9	H112	119.5°	119.5°
C12	C11	C9	C10	93.5°	93.5°
C12	C11	C9	C8	86.9°	86.9°
C11	C12	C17	H171	59.2°	59.2°
C11	C12	C17	H172	62.1°	62.1°
C11	C12	C13	H131	58.6°	58.6°
C11	C12	C13	H132	61.7°	61.7°
C12	C11	H111	H112	119.5°	119.5°
C13	C14	H141	H142	120.7°	120.7°
C14	C13	C12	H12	62.1°	62.1°
C14	C13	H131	H132	119.7°	119.7°
C11	C9	C10	C8	179.6°	179.6°
C11	C9	C10	C3	180.0°	180.0°
C11	C9	C8	N7	179.2°	179.2°
C9	C11	C12	H12	31.3°	31.3°
C9	C11	H111	H112	119.5°	119.5°
C11	C9	C10	H10	0.1°	0.1°
C11	C9	C8	H8	0.8°	0.8°
C9	C10	C3	H10	180.0°	180.0°
C9	C10	C3	C4	179.5°	179.5°
C9	C10	C3	C2	0.6°	0.6°
C10	C9	C8	N7	0.4°	0.4°
C10	C9	C11	H111	146.5°	146.5°
C10	C9	C11	H112	26.0°	26.0°
C10	C9	C8	H8	179.6°	179.6°
C8	C9	C10	C3	0.5°	0.5°
C9	C8	N7	C2	1.1°	1.1°
C9	C8	N7	H8	180.0°	180.0°
C8	C9	C11	H111	33.0°	33.0°
C8	C9	C11	H112	153.6°	153.6°
C8	C9	C10	H10	179.5°	179.5°
C10	C3	C4	C2	179.9°	179.9°
C10	C3	C4	C5	179.8°	179.8°
C10	C3	C2	C1	179.5°	179.5°
C10	C3	C2	N7	0.1°	0.1°
C10	C3	C4	H4	0.2°	0.2°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.2°
C4	C3	C2	C1	0.6°	0.6°
C4	C3	C2	N7	179.8°	179.8°
C4	C3	C10	H10	0.5°	0.5°
C3	C4	C5	H5	179.8°	179.8°
C2	C3	C4	C5	0.3°	0.3°
C3	C2	C1	C6	0.4°	0.4°
C3	C2	C1	N7	179.6°	179.6°
C3	C2	N7	C8	1.0°	1.0°
C2	C3	C10	H10	179.4°	179.4°
C2	C3	C4	H4	179.7°	179.7°
C3	C2	C1	H1	179.6°	179.6°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C1	0.3°	0.3°
C4	C5	C6	H6	179.7°	179.7°
C5	C6	C1	H6	180.0°	180.0°
C5	C6	C1	C2	0.0°	0.0°
C6	C5	C4	H4	179.8°	179.8°
C5	C6	C1	H1	180.0°	180.0°
C6	C1	C2	H1	180.0°	180.0°
C6	C1	C2	N7	180.0°	180.0°
C1	C6	C5	H5	179.7°	179.7°
C1	C2	N7	C8	178.6°	178.6°
C2	C1	C6	H6	180.0°	180.0°
C2	N7	C8	H8	178.9°	178.9°
N7	C2	C1	H1	0.0°	0.0°
H161	C16	C17	H171	57.0°	57.0°
H161	C16	C17	H172	64.3°	64.3°
H162	C16	C17	H171	175.2°	175.2°
H162	C16	C17	H172	53.9°	53.9°
H141	C14	C13	H131	177.1°	177.1°
H141	C14	C13	H132	56.8°	56.8°
H142	C14	C13	H131	57.8°	57.8°
H142	C14	C13	H132	62.5°	62.5°
H171	C17	C12	H12	178.5°	178.4°
H172	C17	C12	H12	57.2°	57.2°
H12	C12	C13	H131	177.9°	177.9°
H12	C12	C13	H132	57.5°	57.6°
H12	C12	C11	H111	88.7°	88.7°
H12	C12	C11	H112	150.8°	150.8°
H4	C4	C5	H5	0.2°	0.2°
H5	C5	C6	H6	0.3°	0.3°
H6	C6	C1	H1	0.1°	0.1°

Definition date:	2008-07-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2VYA