FPG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C7	sing	1.53Å	1.43Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.10Å	1.10Å
C9	H93	sing	1.10Å	1.10Å
C7	C8	sing	1.53Å	1.43Å
C7	C6	sing	1.54Å	1.53Å
C7	H7	sing	1.10Å	1.10Å
C6	C5	sing	1.53Å	1.53Å
C6	H61	sing	1.10Å	1.10Å
C6	H62	sing	1.10Å	1.10Å
C8	H81	sing	1.10Å	1.10Å
C8	H82	sing	1.10Å	1.10Å
C8	H83	sing	1.10Å	1.10Å
C2	F	sing	1.37Å	1.33Å
C2	C3	sing	1.54Å	1.39Å
C2	C1	sing	1.52Å	1.43Å
C2	H2	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C10	C3	sing	1.53Å	1.54Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	sing	1.10Å	1.10Å
C5	C4	sing	1.53Å	1.53Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.10Å	1.10Å
C4	C3	sing	1.55Å	1.58Å
C4	H41	sing	1.10Å	1.10Å
C4	H42	sing	1.10Å	1.10Å
C3	O1	sing	1.44Å	1.44Å
O1	PA	sing	1.61Å	1.61Å
PA	O3A	sing	1.62Å	1.61Å
PA	O1A	doub	1.50Å	1.60Å
PA	O2A	sing	1.62Å	1.48Å
O2A	HO2A	sing	0.98Å	0.95Å
O3A	PB	sing	1.62Å	1.61Å
PB	O3B	doub	1.50Å	1.61Å
PB	O1B	sing	1.62Å	1.48Å
PB	O2B	sing	1.62Å	1.61Å
O2B	HO2B	sing	0.98Å	0.95Å
O1B	HO1B	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C9	H91	109.5°	111.4°
C7	C9	H92	109.4°	111.3°
C7	C9	H93	109.5°	110.8°
C9	C7	C8	119.0°	109.7°
C9	C7	C6	120.5°	112.5°
C9	C7	H7	94.0°	108.3°
H91	C9	H92	109.5°	108.2°
H91	C9	H93	109.5°	107.1°
H92	C9	H93	109.5°	107.9°
C8	C7	C6	120.1°	109.8°
C8	C7	H7	96.9°	107.8°
C7	C8	H81	109.5°	110.8°
C7	C8	H82	109.5°	111.3°
C7	C8	H83	109.5°	110.8°
C6	C7	H7	85.2°	108.7°
C7	C6	C5	112.4°	113.5°
C7	C6	H61	108.5°	108.7°
C7	C6	H62	107.8°	109.8°
C5	C6	H61	108.5°	108.7°
C5	C6	H62	107.8°	109.3°
C6	C5	C4	111.6°	111.0°
C6	C5	H51	108.8°	109.5°
C6	C5	H52	108.3°	109.1°
H61	C6	H62	111.8°	106.6°
H81	C8	H82	109.4°	108.1°
H81	C8	H83	109.5°	107.7°
H82	C8	H83	109.5°	108.0°
F	C2	C3	120.7°	108.2°
F	C2	C1	119.9°	106.9°
F	C2	H2	37.7°	106.9°
C3	C2	C1	119.3°	115.0°
C3	C2	H2	84.8°	110.7°
C2	C3	C10	116.4°	111.5°
C2	C3	C4	112.4°	112.2°
C2	C3	O1	112.6°	108.6°
C1	C2	H2	153.4°	108.8°
C2	C1	H11	109.5°	111.4°
C2	C1	H12	109.5°	111.9°
C2	C1	H13	109.4°	109.7°
H11	C1	H12	109.5°	108.9°
H11	C1	H13	109.5°	106.6°
H12	C1	H13	109.5°	108.1°
C3	C10	H101	109.5°	111.3°
C3	C10	H102	109.5°	112.1°
C3	C10	H103	109.5°	110.7°
C10	C3	C4	108.5°	111.2°
C10	C3	O1	101.4°	106.3°
H101	C10	H102	109.5°	108.3°
H101	C10	H103	109.5°	105.8°
H102	C10	H103	109.5°	108.4°
C4	C5	H51	108.8°	109.5°
C4	C5	H52	108.3°	110.1°
C5	C4	C3	113.9°	115.5°
C5	C4	H41	108.0°	109.2°
C5	C4	H42	107.0°	109.2°
H51	C5	H52	111.1°	107.7°
C3	C4	H41	108.0°	108.7°
C3	C4	H42	107.0°	109.0°
C4	C3	O1	104.4°	106.7°
H41	C4	H42	113.0°	104.7°
C3	O1	PA	123.8°	119.4°
O1	PA	O3A	105.3°	104.9°
O1	PA	O1A	105.6°	114.2°
O1	PA	O2A	113.6°	104.7°
O3A	PA	O1A	106.6°	114.2°
O3A	PA	O2A	112.2°	103.2°
PA	O3A	PB	121.2°	131.0°
O1A	PA	O2A	112.9°	114.3°
PA	O2A	HO2A	109.5°	118.9°
O3A	PB	O3B	105.2°	114.7°
O3A	PB	O1B	111.8°	103.3°
O3A	PB	O2B	106.8°	103.1°
O3B	PB	O1B	111.8°	115.3°
O3B	PB	O2B	107.3°	115.2°
O1B	PB	O2B	113.5°	103.5°
PB	O1B	HO1B	109.5°	119.0°
PB	O2B	HO2B	109.5°	119.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C9	H91	H92	120.0°	122.7°
C7	C9	H91	H93	120.0°	121.3°
C7	C9	H92	H93	120.0°	121.7°
C9	C7	C8	C6	173.1°	124.1°
C9	C7	C8	H7	98.5°	117.7°
C9	C7	C6	H7	91.8°	119.9°
C9	C7	C6	C5	170.3°	59.0°
C9	C7	C6	H61	50.3°	180.0°
C9	C7	C6	H62	70.9°	63.7°
C9	C7	C8	H81	42.6°	177.5°
C9	C7	C8	H82	77.3°	62.1°
C9	C7	C8	H83	162.6°	58.1°
H91	C9	H92	H93	120.0°	115.5°
H91	C9	C7	C8	154.8°	172.6°
H91	C9	C7	C6	32.1°	64.9°
H91	C9	C7	H7	54.7°	55.2°
H92	C9	C7	C8	34.8°	66.5°
H92	C9	C7	C6	152.1°	55.9°
H92	C9	C7	H7	65.3°	176.1°
H93	C9	C7	C8	85.2°	53.5°
H93	C9	C7	C6	87.9°	176.0°
H93	C9	C7	H7	174.7°	63.9°
C8	C7	C6	H7	95.2°	117.7°
C8	C7	C6	C5	16.6°	178.6°
C8	C7	C6	H61	136.6°	57.5°
C8	C7	C6	H62	102.1°	58.7°
C7	C8	H81	H82	120.0°	122.2°
C7	C8	H81	H83	120.0°	121.3°
C7	C8	H82	H83	120.0°	121.8°
C7	C6	C5	H61	120.0°	121.1°
C7	C6	C5	H62	118.7°	123.0°
C7	C6	H61	H62	118.8°	118.3°
C6	C7	C8	H81	130.5°	58.4°
C6	C7	C8	H82	109.6°	61.9°
C6	C7	C8	H83	10.5°	177.8°
C7	C6	C5	C4	112.1°	178.9°
C7	C6	C5	H51	127.9°	58.0°
C7	C6	C5	H52	7.0°	59.6°
H7	C7	C6	C5	78.6°	60.9°
H7	C7	C6	H61	41.5°	60.1°
H7	C7	C6	H62	162.7°	176.4°
H7	C7	C8	H81	141.1°	59.9°
H7	C7	C8	H82	21.2°	179.8°
H7	C7	C8	H83	98.9°	59.6°
C5	C6	H61	H62	118.8°	117.7°
C6	C5	C4	H51	120.0°	121.0°
C6	C5	C4	H52	119.1°	120.9°
C6	C5	H51	H52	119.1°	118.5°
C6	C5	C4	C3	71.7°	177.2°
C6	C5	C4	H41	168.3°	60.0°
C6	C5	C4	H42	46.3°	53.9°
H61	C6	C5	C4	7.9°	59.9°
H61	C6	C5	H51	112.1°	179.1°
H61	C6	C5	H52	127.0°	61.5°
H62	C6	C5	C4	129.2°	56.0°
H62	C6	C5	H51	9.2°	65.0°
H62	C6	C5	H52	111.7°	177.4°
H81	C8	H82	H83	120.0°	116.3°
F	C2	C3	C1	179.8°	119.4°
F	C2	C3	H2	12.0°	116.8°
F	C2	C1	H2	27.2°	115.1°
F	C2	C1	H11	113.1°	61.4°
F	C2	C1	H12	126.9°	176.4°
F	C2	C1	H13	6.9°	56.4°
F	C2	C3	C10	172.6°	59.4°
F	C2	C3	C4	61.3°	175.1°
F	C2	C3	O1	56.2°	57.4°
C3	C2	C1	H2	152.9°	124.8°
C3	C2	C1	H11	67.1°	58.7°
C3	C2	C1	H12	52.9°	63.5°
C3	C2	C1	H13	172.9°	176.5°
C2	C3	C10	C4	127.9°	126.1°
C2	C3	C10	O1	122.5°	118.2°
C2	C3	C10	H101	66.7°	66.9°
C2	C3	C10	H102	173.3°	54.5°
C2	C3	C10	H103	53.3°	175.7°
C2	C3	C4	C5	16.4°	177.5°
C2	C3	C4	O1	122.3°	118.8°
C2	C3	C4	H41	103.6°	54.3°
C2	C3	C4	H42	134.5°	59.2°
C2	C3	O1	PA	45.1°	59.9°
C2	C1	H11	H12	120.0°	123.9°
C2	C1	H11	H13	120.0°	119.6°
C2	C1	H12	H13	120.0°	121.0°
C1	C2	C3	C10	7.5°	60.0°
C1	C2	C3	C4	118.5°	65.5°
C1	C2	C3	O1	124.0°	176.7°
H2	C2	C1	H11	85.8°	176.5°
H2	C2	C1	H12	154.1°	61.3°
H2	C2	C1	H13	34.2°	58.7°
H2	C2	C3	C10	160.6°	176.3°
H2	C2	C3	C4	73.3°	58.2°
H2	C2	C3	O1	44.2°	59.5°
H11	C1	H12	H13	120.0°	115.5°
C3	C10	H101	H102	120.0°	123.6°
C3	C10	H101	H103	120.0°	120.3°
C3	C10	H102	H103	120.0°	122.5°
C10	C3	C4	C5	113.8°	56.8°
C10	C3	C4	O1	107.5°	115.5°
C10	C3	C4	H41	126.2°	180.0°
C10	C3	C4	H42	4.3°	66.5°
C10	C3	O1	PA	80.0°	180.0°
H101	C10	H102	H103	120.0°	114.3°
H101	C10	C3	C4	165.4°	167.0°
H101	C10	C3	O1	55.8°	51.2°
H102	C10	C3	C4	45.3°	71.6°
H102	C10	C3	O1	64.2°	172.7°
H103	C10	C3	C4	74.6°	49.6°
H103	C10	C3	O1	175.8°	66.1°
C4	C5	H51	H52	119.1°	119.7°
C5	C4	C3	H41	120.0°	123.2°
C5	C4	C3	H42	118.1°	123.3°
C5	C4	H41	H42	118.2°	116.8°
C5	C4	C3	O1	138.7°	58.7°
H51	C5	C4	C3	48.3°	56.2°
H51	C5	C4	H41	71.7°	179.0°
H51	C5	C4	H42	166.4°	67.0°
H52	C5	C4	C3	169.2°	62.0°
H52	C5	C4	H41	49.2°	60.9°
H52	C5	C4	H42	72.7°	174.8°
C3	C4	H41	H42	118.2°	116.4°
C4	C3	O1	PA	167.2°	61.2°
H41	C4	C3	O1	18.7°	64.5°
H42	C4	C3	O1	103.2°	178.0°
C3	O1	PA	O3A	85.0°	65.8°
C3	O1	PA	O1A	162.4°	60.0°
C3	O1	PA	O2A	38.2°	174.1°
O1	PA	O3A	O1A	111.9°	125.8°
O1	PA	O3A	O2A	124.1°	109.5°
O1	PA	O1A	O2A	124.7°	120.6°
O1	PA	O2A	HO2A	134.7°	79.9°
O1	PA	O3A	PB	148.6°	174.2°
O3A	PA	O1A	O2A	123.6°	118.6°
O3A	PA	O2A	HO2A	106.0°	170.6°
PA	O3A	PB	O3B	155.3°	60.0°
PA	O3A	PB	O1B	33.7°	173.7°
PA	O3A	PB	O2B	90.9°	66.1°
O1A	PA	O2A	HO2A	14.5°	45.9°
O1A	PA	O3A	PB	36.7°	60.0°
O2A	PA	O3A	PB	87.4°	64.7°
O3A	PB	O3B	O1B	121.5°	119.9°
O3A	PB	O3B	O2B	113.4°	119.5°
O3A	PB	O1B	O2B	120.8°	107.3°
O3A	PB	O2B	HO2B	135.8°	174.1°
O3A	PB	O1B	HO1B	79.3°	174.9°
O3B	PB	O1B	O2B	121.5°	126.8°
O3B	PB	O2B	HO2B	111.8°	48.3°
O3B	PB	O1B	HO1B	38.4°	48.9°
O1B	PB	O2B	HO2B	12.2°	78.5°
O2B	PB	O1B	HO1B	159.9°	77.9°

Definition date:	2007-01-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB