FFA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C6	sing	1.56Å	1.58Å
C1	C2	sing	1.52Å	1.55Å
C1	H11	sing	1.10Å	1.10Å
C1	H12	sing	1.10Å	1.10Å
C2	C3	sing	1.51Å	1.53Å
C2	H21	sing	1.10Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.48Å	1.49Å
C3	O3	doub	1.23Å	1.22Å
C4	C5	doub	1.34Å	1.36Å
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.53Å	1.56Å
C5	C10	sing	1.51Å	1.53Å
C6	C7	sing	1.58Å	1.59Å
C6	C19	sing	1.55Å	1.56Å
C7	C11	sing	1.55Å	1.58Å
C7	C8	sing	1.56Å	1.58Å
C7	H7	sing	1.10Å	1.10Å
C8	C14	sing	1.53Å	1.57Å
C8	C9	sing	1.53Å	1.55Å
C8	H8	sing	1.10Å	1.10Å
C9	C10	sing	1.52Å	1.54Å
C9	H91	sing	1.10Å	1.10Å
C9	H92	sing	1.10Å	1.10Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.10Å	1.10Å
C11	C12	sing	1.54Å	1.56Å
C11	H111	sing	1.10Å	1.10Å
C11	H112	sing	1.10Å	1.10Å
C12	C13	sing	1.54Å	1.56Å
C12	H121	sing	1.10Å	1.10Å
C12	H122	sing	1.10Å	1.10Å
C14	C13	sing	1.54Å	1.55Å
C14	C15	sing	1.53Å	1.54Å
C14	H14	sing	1.10Å	1.10Å
C13	C17	sing	1.54Å	1.54Å
C13	C18	sing	1.55Å	1.57Å
C15	C16	sing	1.54Å	1.55Å
C15	H151	sing	1.10Å	1.10Å
C15	H152	sing	1.10Å	1.10Å
C16	C17	sing	1.54Å	1.55Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C17	O17	sing	1.42Å	1.44Å
C17	H17	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å
O17	HO17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	118.0°	113.6°
C6	C1	H11	106.7°	109.6°
C6	C1	H12	104.7°	110.4°
C1	C6	C5	109.6°	110.0°
C1	C6	C7	107.3°	108.3°
C1	C6	C19	108.9°	108.9°
C2	C1	H11	106.7°	108.0°
C2	C1	H12	104.7°	108.3°
C1	C2	C3	114.1°	110.4°
C1	C2	H21	107.9°	109.3°
C1	C2	H22	106.9°	111.5°
H11	C1	H12	116.4°	106.6°
C3	C2	H21	108.0°	108.7°
C3	C2	H22	106.9°	108.6°
C2	C3	C4	118.5°	118.1°
C2	C3	O3	120.9°	121.9°
H21	C2	H22	113.2°	108.3°
C4	C3	O3	120.6°	119.9°
C3	C4	C5	123.3°	121.4°
C3	C4	H4	118.3°	116.6°
C5	C4	H4	118.3°	121.9°
C4	C5	C6	124.7°	124.0°
C4	C5	C10	118.5°	119.4°
C6	C5	C10	116.7°	116.7°
C5	C6	C7	110.0°	109.5°
C5	C6	C19	107.5°	108.2°
C5	C10	C9	113.4°	112.1°
C5	C10	H101	108.2°	108.7°
C5	C10	H102	107.3°	111.4°
C7	C6	C19	113.4°	112.0°
C6	C7	C11	112.4°	113.9°
C6	C7	C8	112.9°	112.9°
C6	C7	H7	105.4°	106.3°
C6	C19	H191	109.5°	110.6°
C6	C19	H192	109.5°	110.6°
C6	C19	H193	109.5°	110.5°
C11	C7	C8	110.7°	111.8°
C11	C7	H7	107.8°	105.4°
C7	C11	C12	110.0°	113.5°
C7	C11	H111	109.3°	109.5°
C7	C11	H112	109.1°	110.3°
C8	C7	H7	107.2°	105.8°
C7	C8	C14	110.6°	108.9°
C7	C8	C9	109.9°	110.1°
C7	C8	H8	109.2°	109.0°
C14	C8	C9	111.8°	111.4°
C14	C8	H8	107.2°	109.2°
C8	C14	C13	112.4°	112.7°
C8	C14	C15	121.0°	118.7°
C8	C14	H14	96.7°	106.7°
C9	C8	H8	107.9°	108.3°
C8	C9	C10	112.5°	111.2°
C8	C9	H91	108.5°	110.2°
C8	C9	H92	107.8°	110.2°
C10	C9	H91	108.5°	108.6°
C10	C9	H92	107.8°	109.7°
C9	C10	H101	108.2°	109.4°
C9	C10	H102	107.3°	108.7°
H91	C9	H92	111.8°	106.8°
H101	C10	H102	112.6°	106.4°
C12	C11	H111	109.3°	108.9°
C12	C11	H112	109.2°	107.8°
C11	C12	C13	111.8°	111.7°
C11	C12	H121	108.7°	107.9°
C11	C12	H122	108.1°	109.5°
H111	C11	H112	109.9°	106.6°
C13	C12	H121	108.7°	110.8°
C13	C12	H122	108.2°	110.3°
C12	C13	C14	106.5°	107.7°
C12	C13	C17	116.5°	116.4°
C12	C13	C18	109.3°	109.8°
H121	C12	H122	111.3°	106.5°
C13	C14	C15	102.4°	103.7°
C13	C14	H14	117.3°	108.6°
C14	C13	C17	102.8°	100.4°
C14	C13	C18	116.3°	114.3°
C15	C14	H14	107.8°	106.0°
C14	C15	C16	102.0°	104.4°
C14	C15	H151	112.0°	112.2°
C14	C15	H152	113.6°	111.2°
C17	C13	C18	105.7°	108.2°
C13	C17	C16	104.6°	104.2°
C13	C17	O17	112.2°	111.1°
C13	C17	H17	110.7°	113.1°
C13	C18	H181	109.5°	110.6°
C13	C18	H182	109.4°	110.5°
C13	C18	H183	109.5°	110.6°
C16	C15	H151	112.1°	111.4°
C16	C15	H152	113.6°	109.9°
C15	C16	C17	107.3°	106.4°
C15	C16	H161	110.2°	109.1°
C15	C16	H162	110.6°	110.8°
H151	C15	H152	103.8°	107.8°
C17	C16	H161	110.2°	110.6°
C17	C16	H162	110.7°	111.7°
C16	C17	O17	108.6°	109.0°
C16	C17	H17	114.1°	111.8°
H161	C16	H162	107.8°	108.2°
O17	C17	H17	106.8°	107.6°
C17	O17	HO17	109.5°	106.7°
H181	C18	H182	109.5°	108.4°
H181	C18	H183	109.4°	108.3°
H182	C18	H183	109.5°	108.3°
H191	C19	H192	109.4°	108.4°
H191	C19	H193	109.5°	108.3°
H192	C19	H193	109.5°	108.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	H11	120.0°	121.8°
C6	C1	C2	H12	116.0°	123.1°
C6	C1	H11	H12	116.5°	119.4°
C6	C1	C2	C3	39.3°	55.1°
C6	C1	C2	H21	80.7°	174.6°
C6	C1	C2	H22	157.3°	65.6°
C1	C6	C5	C4	17.1°	14.8°
C1	C6	C5	C7	117.8°	118.9°
C1	C6	C5	C19	118.2°	118.8°
C1	C6	C5	C10	163.6°	166.2°
C1	C6	C7	C19	120.3°	120.1°
C1	C6	C7	C11	64.2°	61.9°
C1	C6	C7	C8	169.7°	169.2°
C1	C6	C7	H7	53.0°	53.7°
C1	C6	C19	H191	121.3°	24.8°
C1	C6	C19	H192	1.4°	95.3°
C1	C6	C19	H193	118.7°	144.8°
C2	C1	H11	H12	116.5°	116.3°
C1	C2	C3	H21	120.0°	119.9°
C1	C2	C3	H22	118.0°	122.5°
C1	C2	H21	H22	118.1°	121.7°
C1	C2	C3	C4	20.1°	35.2°
C1	C2	C3	O3	160.4°	148.6°
C2	C1	C6	C5	36.7°	44.8°
C2	C1	C6	C7	156.2°	164.4°
C2	C1	C6	C19	80.7°	73.6°
H11	C1	C2	C3	159.3°	66.7°
H11	C1	C2	H21	39.3°	52.8°
H11	C1	C2	H22	82.7°	172.5°
H11	C1	C6	C5	156.7°	76.2°
H11	C1	C6	C7	83.8°	43.4°
H11	C1	C6	C19	39.3°	165.4°
H12	C1	C2	C3	76.6°	178.2°
H12	C1	C2	H21	163.4°	62.3°
H12	C1	C2	H22	41.3°	57.4°
H12	C1	C6	C5	79.2°	166.7°
H12	C1	C6	C7	40.2°	73.7°
H12	C1	C6	C19	163.4°	48.3°
C3	C2	H21	H22	118.1°	117.8°
C2	C3	C4	O3	179.5°	176.2°
C2	C3	C4	C5	0.7°	6.1°
C2	C3	C4	H4	179.3°	170.4°
H21	C2	C3	C4	99.8°	155.2°
H21	C2	C3	O3	79.6°	28.7°
H22	C2	C3	C4	138.1°	87.3°
H22	C2	C3	O3	42.4°	88.9°
C3	C4	C5	H4	180.0°	176.3°
C3	C4	C5	C6	0.4°	4.5°
C3	C4	C5	C10	178.9°	174.4°
O3	C3	C4	C5	179.8°	177.7°
O3	C3	C4	H4	0.2°	5.8°
C4	C5	C6	C10	179.4°	178.9°
C4	C5	C6	C7	134.9°	133.7°
C4	C5	C6	C19	101.2°	104.0°
C4	C5	C10	C9	133.7°	129.8°
C4	C5	C10	H101	13.7°	109.1°
C4	C5	C10	H102	108.0°	7.8°
H4	C4	C5	C6	179.6°	179.2°
H4	C4	C5	C10	1.1°	1.9°
C5	C6	C7	C19	120.5°	120.0°
C5	C6	C7	C11	176.6°	178.1°
C5	C6	C7	C8	50.5°	49.3°
C5	C6	C7	H7	66.2°	66.2°
C6	C5	C10	C9	46.9°	51.2°
C6	C5	C10	H101	166.9°	69.9°
C6	C5	C10	H102	71.4°	173.3°
C5	C6	C19	H191	119.9°	144.3°
C5	C6	C19	H192	120.1°	24.2°
C5	C6	C19	H193	0.0°	95.7°
C10	C5	C6	C7	45.7°	47.4°
C10	C5	C6	C19	78.2°	75.0°
C5	C10	C9	C8	51.2°	55.1°
C5	C10	C9	H101	120.0°	120.6°
C5	C10	C9	H102	118.3°	123.6°
C5	C10	C9	H91	68.8°	176.6°
C5	C10	C9	H92	169.9°	67.0°
C5	C10	H101	H102	118.4°	120.0°
C6	C7	C11	C8	127.3°	129.4°
C6	C7	C11	H7	115.7°	116.2°
C6	C7	C8	H7	115.6°	115.9°
C6	C7	C8	C14	179.4°	178.3°
C6	C7	C8	C9	56.6°	55.9°
C6	C7	C8	H8	61.6°	62.7°
C6	C7	C11	C12	179.0°	179.1°
C6	C7	C11	H111	61.0°	57.1°
C6	C7	C11	H112	59.2°	59.9°
C7	C6	C19	H191	1.9°	94.9°
C7	C6	C19	H192	118.1°	145.0°
C7	C6	C19	H193	121.9°	25.0°
C19	C6	C7	C11	56.1°	58.1°
C19	C6	C7	C8	70.0°	70.7°
C19	C6	C7	H7	173.3°	173.8°
C6	C19	H191	H192	120.0°	121.4°
C6	C19	H191	H193	120.0°	121.3°
C6	C19	H192	H193	120.0°	121.2°
C11	C7	C8	H7	117.4°	114.2°
C11	C7	C8	C14	52.4°	51.8°
C11	C7	C8	C9	176.4°	174.2°
C11	C7	C8	H8	65.4°	67.2°
C7	C11	C12	H111	120.0°	122.3°
C7	C11	C12	H112	119.8°	122.4°
C7	C11	H111	H112	119.7°	119.3°
C7	C11	C12	C13	59.8°	52.8°
C7	C11	C12	H121	179.8°	69.2°
C7	C11	C12	H122	59.2°	175.3°
C7	C8	C14	C9	122.9°	121.6°
C7	C8	C14	H8	119.0°	118.9°
C7	C8	C9	H8	119.0°	119.0°
C7	C8	C9	C10	56.0°	57.8°
C7	C8	C9	H91	64.0°	178.4°
C7	C8	C9	H92	174.7°	64.0°
C8	C7	C11	C12	53.7°	49.7°
C8	C7	C11	H111	66.3°	72.3°
C8	C7	C11	H112	173.5°	170.7°
C7	C8	C14	C13	57.5°	60.0°
C7	C8	C14	C15	178.8°	178.6°
C7	C8	C14	H14	65.7°	59.1°
H7	C7	C8	C14	65.0°	62.4°
H7	C7	C8	C9	59.0°	59.9°
H7	C7	C8	H8	177.2°	178.5°
H7	C7	C11	C12	63.3°	64.7°
H7	C7	C11	H111	176.7°	173.3°
H7	C7	C11	H112	56.4°	56.3°
C14	C8	C9	H8	117.7°	120.1°
C14	C8	C9	C10	179.3°	178.7°
C14	C8	C9	H91	59.3°	60.7°
C14	C8	C9	H92	62.0°	56.9°
C8	C14	C13	C12	60.5°	62.5°
C8	C14	C13	C15	131.4°	129.6°
C8	C14	C13	H14	110.8°	117.9°
C8	C14	C15	H14	109.7°	119.8°
C8	C14	C13	C17	176.5°	175.2°
C8	C14	C13	C18	61.6°	59.7°
C8	C14	C15	C16	168.1°	159.9°
C8	C14	C15	H151	71.9°	79.3°
C8	C14	C15	H152	45.4°	41.4°
C8	C9	C10	H91	120.0°	121.5°
C8	C9	C10	H92	118.7°	122.1°
C8	C9	H91	H92	118.8°	119.7°
C8	C9	C10	H101	171.2°	65.6°
C8	C9	C10	H102	67.1°	178.6°
C9	C8	C14	C13	179.6°	178.5°
C9	C8	C14	C15	58.3°	57.0°
C9	C8	C14	H14	57.2°	62.5°
H8	C8	C9	C10	63.0°	61.2°
H8	C8	C9	H91	177.0°	59.3°
H8	C8	C9	H92	55.7°	177.0°
H8	C8	C14	C13	61.5°	58.9°
H8	C8	C14	C15	59.8°	62.5°
H8	C8	C14	H14	175.3°	178.0°
C10	C9	H91	H92	118.8°	118.2°
C9	C10	H101	H102	118.4°	117.3°
H91	C9	C10	H101	51.2°	55.9°
H91	C9	C10	H102	172.9°	59.9°
H92	C9	C10	H101	70.1°	172.3°
H92	C9	C10	H102	51.6°	56.5°
C12	C11	H111	H112	119.8°	116.1°
C11	C12	C13	H121	120.0°	120.3°
C11	C12	C13	H122	119.0°	122.0°
C11	C12	H121	H122	119.0°	117.5°
C11	C12	C13	C14	61.8°	57.1°
C11	C12	C13	C17	175.8°	168.7°
C11	C12	C13	C18	64.6°	68.0°
H111	C11	C12	C13	60.2°	69.5°
H111	C11	C12	H121	59.8°	168.6°
H111	C11	C12	H122	179.2°	53.0°
H112	C11	C12	C13	179.5°	175.2°
H112	C11	C12	H121	60.5°	53.2°
H112	C11	C12	H122	60.5°	62.4°
C13	C12	H121	H122	119.0°	119.9°
C12	C13	C14	C17	123.0°	122.2°
C12	C13	C14	C18	122.0°	122.3°
C12	C13	C14	C15	168.1°	167.8°
C12	C13	C14	H14	50.4°	55.4°
C12	C13	C17	C18	121.5°	124.1°
C12	C13	C17	C16	145.5°	155.2°
C12	C13	C17	O17	28.0°	38.0°
C12	C13	C17	H17	91.2°	83.1°
C12	C13	C18	H181	116.6°	24.0°
C12	C13	C18	H182	3.4°	96.1°
C12	C13	C18	H183	123.4°	144.0°
H121	C12	C13	C14	178.1°	63.3°
H121	C12	C13	C17	64.2°	48.4°
H121	C12	C13	C18	55.5°	171.7°
H122	C12	C13	C14	57.1°	179.1°
H122	C12	C13	C17	56.8°	69.2°
H122	C12	C13	C18	176.5°	54.1°
C13	C14	C15	H14	124.3°	114.3°
C14	C13	C17	C18	122.4°	120.0°
C13	C14	C15	C16	42.1°	34.1°
C13	C14	C15	H151	162.1°	154.8°
C13	C14	C15	H152	80.6°	84.4°
C14	C13	C17	C16	29.5°	39.4°
C14	C13	C17	O17	88.0°	77.8°
C14	C13	C17	H17	152.8°	161.1°
C14	C13	C18	H181	122.8°	145.1°
C14	C13	C18	H182	117.2°	25.1°
C14	C13	C18	H183	2.8°	94.9°
C15	C14	C13	C17	45.1°	45.6°
C15	C14	C13	C18	69.9°	69.9°
C14	C15	C16	H151	120.0°	121.3°
C14	C15	C16	H152	122.7°	119.3°
C14	C15	H151	H152	123.0°	122.7°
C14	C15	C16	C17	23.9°	9.0°
C14	C15	C16	H161	96.1°	128.3°
C14	C15	C16	H162	144.7°	112.6°
H14	C14	C13	C17	72.6°	66.8°
H14	C14	C13	C18	172.4°	177.7°
H14	C14	C15	C16	82.2°	80.2°
H14	C14	C15	H151	37.8°	40.5°
H14	C14	C15	H152	155.1°	161.3°
C13	C17	C16	C15	3.5°	19.2°
C13	C17	C16	O17	119.9°	118.7°
C13	C17	C16	H17	121.1°	122.5°
C13	C17	C16	H161	123.5°	99.1°
C13	C17	C16	H162	117.3°	140.3°
C13	C17	O17	H17	121.5°	124.3°
C17	C13	C18	H181	9.5°	104.1°
C17	C13	C18	H182	129.5°	135.9°
C17	C13	C18	H183	110.5°	15.9°
C13	C17	O17	HO17	19.3°	109.9°
C18	C13	C17	C16	92.9°	80.6°
C18	C13	C17	O17	149.5°	162.1°
C18	C13	C17	H17	30.4°	41.0°
C13	C18	H181	H182	120.0°	121.3°
C13	C18	H181	H183	120.0°	121.3°
C13	C18	H182	H183	120.0°	121.3°
C16	C15	H151	H152	123.0°	120.7°
C15	C16	C17	H161	120.0°	118.3°
C15	C16	C17	H162	120.8°	121.1°
C15	C16	H161	H162	120.9°	120.6°
C15	C16	C17	O17	116.4°	99.5°
C15	C16	C17	H17	124.7°	141.8°
H151	C15	C16	C17	143.9°	130.3°
H151	C15	C16	H161	23.9°	110.3°
H151	C15	C16	H162	95.3°	8.7°
H152	C15	C16	C17	98.8°	110.3°
H152	C15	C16	H161	141.2°	9.0°
H152	C15	C16	H162	22.0°	128.1°
C17	C16	H161	H162	120.9°	122.7°
C16	C17	O17	H17	123.5°	121.4°
C16	C17	O17	HO17	95.7°	4.4°
H161	C16	C17	O17	3.6°	142.2°
H161	C16	C17	H17	115.3°	23.4°
H162	C16	C17	O17	122.8°	21.6°
H162	C16	C17	H17	3.8°	97.2°
H17	C17	O17	HO17	140.8°	125.8°
H181	C18	H182	H183	120.0°	117.3°
H191	C19	H192	H193	120.0°	117.3°

Definition date:	2006-10-16
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB