Obsolete: IU6

IU6 was replaced with CHC on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C10	sing	1.53Å	1.60Å
C1	C2	sing	1.53Å	1.56Å
C1	HC11	sing	1.09Å	1.10Å
C1	HC12	sing	1.09Å	1.10Å
C10	C19	sing	1.53Å	1.52Å
C10	C5	sing	1.56Å	1.66Å
C10	C9	sing	1.53Å	1.69Å
C11	C12	sing	1.54Å	1.59Å
C11	C9	sing	1.56Å	1.53Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C12	C13	sing	1.52Å	1.58Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C13	C14	sing	1.55Å	1.57Å
C13	C17	sing	1.53Å	1.61Å
C13	C18	sing	1.53Å	1.64Å
C14	C15	sing	1.53Å	1.60Å
C14	C8	sing	1.52Å	1.59Å
C14	H141	sing	1.09Å	1.10Å
C15	C16	sing	1.55Å	1.52Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C16	C17	sing	1.55Å	1.60Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C17	C20	sing	1.53Å	1.61Å
C17	H171	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
O1A	C7	sing	1.43Å	1.47Å
O1A	HOA1	sing	0.97Å	0.95Å
O1B	C3	sing	1.43Å	1.39Å
O1B	HOB1	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.60Å
C2	HC21	sing	1.09Å	1.10Å
C2	HC22	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.62Å
C20	C22	sing	1.53Å	1.53Å
C20	H201	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C21	H213	sing	1.09Å	1.10Å
C22	C23	sing	1.53Å	1.56Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C23	C24	sing	1.51Å	1.48Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C24	O4	doub	1.21Å	1.25Å
C24	O4A	sing	1.34Å	1.26Å
C3	C4	sing	1.53Å	1.64Å
C3	HC31	sing	1.09Å	1.10Å
C4	C5	sing	1.52Å	1.63Å
C4	HC41	sing	1.09Å	1.10Å
C4	HC42	sing	1.09Å	1.10Å
O4A	HOA4	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.60Å
C5	HC51	sing	1.09Å	1.10Å
C6	C26	sing	1.53Å	1.47Å
C6	C7	sing	1.53Å	1.58Å
C6	HC61	sing	1.09Å	1.10Å
C26	C25	sing	1.53Å	1.54Å
C26	H261	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C25	H253	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.58Å
C7	HC71	sing	1.09Å	1.10Å
C8	C9	sing	1.54Å	1.65Å
C8	HC81	sing	1.09Å	1.10Å
C9	HC91	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C1	C2	113.7°	109.6°
C10	C1	HC11	107.1°	109.5°
C10	C1	HC12	108.1°	109.4°
C1	C10	C19	101.7°	109.5°
C1	C10	C5	110.0°	110.9°
C1	C10	C9	113.0°	109.7°
C2	C1	HC11	107.1°	109.5°
C2	C1	HC12	108.1°	109.5°
C1	C2	C3	109.2°	109.5°
C1	C2	HC21	109.6°	109.4°
C1	C2	HC22	109.6°	109.5°
HC11	C1	HC12	112.9°	109.4°
C19	C10	C5	112.2°	109.4°
C19	C10	C9	112.7°	109.4°
C10	C19	H191	109.4°	109.4°
C10	C19	H192	109.4°	109.4°
C10	C19	H193	109.5°	109.5°
C5	C10	C9	107.2°	107.9°
C10	C5	C4	109.2°	108.5°
C10	C5	C6	108.6°	111.4°
C10	C5	HC51	112.7°	107.9°
C10	C9	C11	112.8°	110.1°
C10	C9	C8	109.1°	111.3°
C10	C9	HC91	107.1°	108.9°
C12	C11	C9	114.5°	112.3°
C12	C11	H111	106.7°	109.1°
C12	C11	H112	107.8°	109.1°
C11	C12	C13	110.9°	107.4°
C11	C12	H121	108.7°	109.8°
C11	C12	H122	109.0°	109.9°
C9	C11	H111	106.7°	106.6°
C9	C11	H112	107.8°	110.6°
C11	C9	C8	108.4°	111.7°
C11	C9	HC91	107.8°	108.9°
H111	C11	H112	113.5°	109.1°
C13	C12	H121	108.7°	109.9°
C13	C12	H122	109.0°	109.9°
C12	C13	C14	107.5°	108.4°
C12	C13	C17	117.7°	116.5°
C12	C13	C18	108.2°	109.8°
H121	C12	H122	110.6°	109.9°
C14	C13	C17	98.4°	103.0°
C14	C13	C18	111.9°	108.9°
C13	C14	C15	101.9°	102.4°
C13	C14	C8	116.3°	107.1°
C13	C14	H141	113.6°	110.5°
C17	C13	C18	112.7°	109.8°
C13	C17	C16	103.0°	105.8°
C13	C17	C20	116.1°	110.8°
C13	C17	H171	110.9°	109.5°
C13	C18	H181	109.4°	109.5°
C13	C18	H182	109.5°	109.5°
C13	C18	H183	109.5°	109.4°
C15	C14	C8	117.9°	115.9°
C15	C14	H141	111.9°	110.3°
C14	C15	C16	98.7°	102.9°
C14	C15	H151	115.4°	110.8°
C14	C15	H152	113.2°	110.8°
C8	C14	H141	95.9°	110.3°
C14	C8	C7	112.4°	110.4°
C14	C8	C9	107.6°	108.1°
C14	C8	HC81	109.3°	109.7°
C16	C15	H151	115.4°	110.7°
C16	C15	H152	113.2°	110.7°
C15	C16	C17	109.1°	106.3°
C15	C16	H161	109.7°	110.1°
C15	C16	H162	109.6°	110.0°
H151	C15	H152	101.5°	110.8°
C17	C16	H161	109.7°	110.1°
C17	C16	H162	109.6°	110.1°
C16	C17	C20	113.1°	110.2°
C16	C17	H171	114.0°	110.3°
H161	C16	H162	109.1°	110.1°
C20	C17	H171	100.3°	110.2°
C17	C20	C21	109.6°	109.4°
C17	C20	C22	111.8°	109.5°
C17	C20	H201	107.6°	109.5°
H181	C18	H182	109.5°	109.5°
H181	C18	H183	109.4°	109.5°
H182	C18	H183	109.5°	109.5°
H191	C19	H192	109.5°	109.5°
H191	C19	H193	109.4°	109.5°
H192	C19	H193	109.5°	109.5°
C7	O1A	HOA1	109.5°	106.8°
O1A	C7	C6	112.9°	109.5°
O1A	C7	C8	110.9°	109.5°
O1A	C7	HC71	106.4°	109.5°
C3	O1B	HOB1	109.5°	106.8°
O1B	C3	C2	109.3°	109.5°
O1B	C3	C4	110.6°	109.5°
O1B	C3	HC31	109.4°	109.5°
C3	C2	HC21	109.6°	109.5°
C3	C2	HC22	109.5°	109.5°
C2	C3	C4	111.3°	109.4°
C2	C3	HC31	108.8°	109.4°
HC21	C2	HC22	109.2°	109.4°
C21	C20	C22	108.8°	109.5°
C21	C20	H201	110.7°	109.4°
C20	C21	H211	109.4°	109.4°
C20	C21	H212	109.5°	109.4°
C20	C21	H213	109.5°	109.4°
C22	C20	H201	108.4°	109.5°
C20	C22	C23	113.6°	109.4°
C20	C22	H221	107.2°	109.5°
C20	C22	H222	108.1°	109.5°
H211	C21	H212	109.5°	109.5°
H211	C21	H213	109.5°	109.5°
H212	C21	H213	109.4°	109.5°
C23	C22	H221	107.1°	109.5°
C23	C22	H222	108.1°	109.4°
C22	C23	C24	116.9°	109.4°
C22	C23	H231	105.3°	109.5°
C22	C23	H232	107.1°	109.5°
H221	C22	H222	112.8°	109.5°
C24	C23	H231	105.3°	109.4°
C24	C23	H232	107.0°	109.5°
C23	C24	O4	116.2°	120.0°
C23	C24	O4A	120.0°	120.0°
H231	C23	H232	115.5°	109.5°
O4	C24	O4A	123.8°	120.0°
C24	O4A	HOA4	109.5°	120.0°
C4	C3	HC31	107.4°	109.5°
C3	C4	C5	110.2°	111.5°
C3	C4	HC41	109.0°	109.5°
C3	C4	HC42	109.2°	109.5°
C5	C4	HC41	109.0°	108.4°
C5	C4	HC42	109.2°	108.4°
C4	C5	C6	115.9°	109.0°
C4	C5	HC51	105.0°	109.5°
HC41	C4	HC42	110.1°	109.5°
C6	C5	HC51	105.5°	110.6°
C5	C6	C26	109.9°	109.4°
C5	C6	C7	114.4°	109.6°
C5	C6	HC61	104.4°	109.4°
C26	C6	C7	105.0°	109.4°
C26	C6	HC61	114.0°	109.4°
C6	C26	C25	117.5°	109.5°
C6	C26	H261	105.0°	109.4°
C6	C26	H262	106.9°	109.5°
C7	C6	HC61	109.4°	109.5°
C6	C7	C8	110.5°	109.4°
C6	C7	HC71	106.9°	109.5°
C25	C26	H261	105.0°	109.5°
C25	C26	H262	106.9°	109.5°
C26	C25	H251	109.4°	109.4°
C26	C25	H252	109.5°	109.5°
C26	C25	H253	109.5°	109.5°
H261	C26	H262	116.0°	109.5°
H251	C25	H252	109.5°	109.5°
H251	C25	H253	109.5°	109.5°
H252	C25	H253	109.4°	109.5°
C8	C7	HC71	109.0°	109.5°
C7	C8	C9	111.1°	109.0°
C7	C8	HC81	105.7°	109.8°
C9	C8	HC81	110.7°	109.7°
C8	C9	HC91	111.6°	105.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C1	C2	HC11	118.1°	120.1°
C10	C1	C2	HC12	120.0°	120.0°
C10	C1	HC11	HC12	118.8°	119.9°
C1	C10	C19	C5	117.5°	121.8°
C1	C10	C19	C9	121.3°	120.2°
C1	C10	C5	C9	123.3°	120.1°
C1	C10	C9	C11	58.8°	56.7°
C1	C10	C19	H191	30.2°	60.1°
C1	C10	C19	H192	89.9°	59.8°
C1	C10	C19	H193	150.1°	179.8°
C10	C1	C2	C3	59.3°	59.8°
C10	C1	C2	HC21	60.9°	179.9°
C10	C1	C2	HC22	179.3°	60.2°
C1	C10	C5	C4	54.4°	57.1°
C1	C10	C5	C6	178.4°	177.1°
C1	C10	C5	HC51	61.8°	61.3°
C1	C10	C9	C8	179.4°	178.8°
C1	C10	C9	HC91	59.7°	62.6°
C2	C1	HC11	HC12	118.8°	120.0°
C2	C1	C10	C19	177.1°	179.7°
C2	C1	C10	C5	57.9°	58.8°
C2	C1	C10	C9	61.9°	60.2°
C1	C2	C3	O1B	179.3°	179.9°
C1	C2	C3	HC21	120.1°	120.0°
C1	C2	C3	HC22	120.0°	120.0°
C1	C2	HC21	HC22	120.1°	119.9°
C1	C2	C3	C4	58.2°	59.9°
C1	C2	C3	HC31	59.9°	60.1°
HC11	C1	C10	C19	64.8°	59.6°
HC11	C1	C10	C5	176.1°	61.3°
HC11	C1	C10	C9	56.2°	179.7°
HC11	C1	C2	C3	177.4°	60.2°
HC11	C1	C2	HC21	57.2°	59.8°
HC11	C1	C2	HC22	62.6°	179.7°
HC12	C1	C10	C19	57.1°	60.2°
HC12	C1	C10	C5	62.0°	178.9°
HC12	C1	C10	C9	178.1°	59.8°
HC12	C1	C2	C3	60.8°	179.8°
HC12	C1	C2	HC21	179.1°	60.1°
HC12	C1	C2	HC22	59.2°	59.8°
C19	C10	C5	C9	124.3°	118.9°
C19	C10	C9	C11	55.8°	63.4°
C10	C19	H191	H192	120.0°	119.9°
C10	C19	H191	H193	120.0°	120.1°
C10	C19	H192	H193	120.0°	120.1°
C19	C10	C5	C4	166.8°	178.1°
C19	C10	C5	C6	66.0°	61.9°
C19	C10	C5	HC51	50.6°	59.6°
C19	C10	C9	C8	64.8°	61.1°
C19	C10	C9	HC91	174.3°	177.3°
C5	C10	C9	C11	179.8°	177.6°
C5	C10	C19	H191	87.4°	178.1°
C5	C10	C19	H192	152.6°	62.0°
C5	C10	C19	H193	32.6°	58.0°
C10	C5	C4	C3	54.9°	57.7°
C10	C5	C4	C6	123.0°	121.5°
C10	C5	C4	HC51	121.1°	117.4°
C10	C5	C4	HC41	64.8°	178.3°
C10	C5	C4	HC42	175.0°	63.0°
C10	C5	C6	HC51	121.1°	119.9°
C10	C5	C6	C26	176.8°	178.9°
C10	C5	C6	C7	59.1°	58.8°
C10	C5	C6	HC61	60.5°	61.2°
C5	C10	C9	C8	59.2°	57.9°
C5	C10	C9	HC91	61.7°	58.4°
C10	C9	C11	C12	179.6°	176.0°
C10	C9	C11	C8	121.0°	124.2°
C10	C9	C11	HC91	118.0°	119.3°
C10	C9	C11	H111	62.7°	56.5°
C10	C9	C11	H112	59.6°	61.9°
C10	C9	C8	C14	177.5°	179.1°
C9	C10	C19	H191	151.4°	60.1°
C9	C10	C19	H192	31.4°	180.0°
C9	C10	C19	H193	88.6°	60.0°
C9	C10	C5	C4	68.9°	63.0°
C9	C10	C5	C6	58.3°	57.0°
C9	C10	C5	HC51	174.9°	178.6°
C10	C9	C8	C7	59.0°	60.9°
C10	C9	C8	HC91	118.1°	118.1°
C10	C9	C8	HC81	58.1°	59.4°
C12	C11	C9	H111	117.8°	119.4°
C12	C11	C9	H112	120.0°	122.1°
C12	C11	H111	H112	118.6°	119.0°
C11	C12	C13	H121	119.4°	119.4°
C11	C12	C13	H122	120.0°	119.5°
C11	C12	H121	H122	119.6°	121.1°
C11	C12	C13	C14	53.3°	63.9°
C11	C12	C13	C17	163.1°	179.4°
C11	C12	C13	C18	67.8°	54.9°
C12	C11	C9	C8	58.6°	51.7°
C12	C11	C9	HC91	62.4°	64.8°
C9	C11	H111	H112	118.6°	119.4°
C9	C11	C12	C13	59.6°	55.0°
C9	C11	C12	H121	179.0°	174.4°
C9	C11	C12	H122	60.4°	64.5°
C11	C9	C8	C14	54.3°	55.6°
C11	C9	C8	C7	177.7°	175.6°
C11	C9	C8	HC91	118.6°	118.4°
C11	C9	C8	HC81	65.1°	64.1°
H111	C11	C12	C13	177.4°	63.0°
H111	C11	C12	H121	63.2°	56.4°
H111	C11	C12	H122	57.4°	177.5°
H111	C11	C9	C8	176.4°	67.7°
H111	C11	C9	HC91	55.4°	175.8°
H112	C11	C12	C13	60.4°	177.9°
H112	C11	C12	H121	59.0°	62.7°
H112	C11	C12	H122	179.6°	58.4°
H112	C11	C9	C8	61.4°	173.8°
H112	C11	C9	HC91	177.6°	57.3°
C13	C12	H121	H122	119.6°	121.1°
C12	C13	C14	C17	122.6°	124.1°
C12	C13	C14	C18	118.7°	119.4°
C12	C13	C17	C18	127.1°	125.6°
C12	C13	C14	C15	174.1°	167.4°
C12	C13	C14	C8	56.3°	70.2°
C12	C13	C14	H141	53.6°	50.0°
C12	C13	C17	C16	147.1°	146.7°
C12	C13	C17	C20	88.8°	93.9°
C12	C13	C17	H171	24.8°	27.8°
C12	C13	C18	H181	32.8°	67.9°
C12	C13	C18	H182	87.3°	52.1°
C12	C13	C18	H183	152.7°	172.1°
H121	C12	C13	C14	172.7°	176.7°
H121	C12	C13	C17	77.5°	61.1°
H121	C12	C13	C18	51.6°	64.5°
H122	C12	C13	C14	66.7°	55.6°
H122	C12	C13	C17	43.1°	59.9°
H122	C12	C13	C18	172.3°	174.4°
C14	C13	C17	C18	118.1°	115.9°
C13	C14	C15	C8	128.6°	116.2°
C13	C14	C15	H141	121.7°	117.6°
C13	C14	C8	H141	120.0°	120.3°
C13	C14	C15	C16	50.6°	41.2°
C13	C14	C15	H151	174.2°	77.1°
C13	C14	C15	H152	69.4°	159.6°
C14	C13	C17	C16	32.2°	28.1°
C14	C13	C17	C20	156.4°	147.6°
C14	C13	C17	H171	90.1°	90.7°
C14	C13	C18	H181	85.5°	173.5°
C14	C13	C18	H182	154.4°	66.4°
C14	C13	C18	H183	34.5°	53.5°
C13	C14	C8	C7	179.4°	176.8°
C13	C14	C8	C9	56.7°	63.9°
C13	C14	C8	HC81	63.5°	55.7°
C17	C13	C14	C15	51.5°	43.4°
C17	C13	C14	C8	178.9°	165.7°
C17	C13	C14	H141	69.0°	74.1°
C13	C17	C16	C15	1.8°	2.8°
C13	C17	C16	C20	126.1°	119.8°
C13	C17	C16	H171	120.2°	118.3°
C13	C17	C16	H161	121.9°	116.5°
C13	C17	C16	H162	118.2°	122.0°
C13	C17	C20	H171	119.5°	121.3°
C17	C13	C18	H181	164.7°	61.5°
C17	C13	C18	H182	44.7°	178.5°
C17	C13	C18	H183	75.3°	58.5°
C13	C17	C20	C21	61.4°	61.8°
C13	C17	C20	C22	178.0°	178.2°
C13	C17	C20	H201	59.0°	58.1°
C18	C13	C14	C15	67.2°	73.1°
C18	C13	C14	C8	62.4°	49.2°
C18	C13	C14	H141	172.3°	169.4°
C18	C13	C17	C16	85.9°	87.7°
C18	C13	C17	C20	38.3°	31.7°
C18	C13	C17	H171	151.8°	153.5°
C13	C18	H181	H182	120.0°	120.0°
C13	C18	H181	H183	120.0°	120.0°
C13	C18	H182	H183	120.0°	120.0°
C15	C14	C8	H141	118.6°	126.2°
C14	C15	C16	H151	123.6°	118.4°
C14	C15	C16	H152	120.0°	118.4°
C14	C15	H151	H152	122.9°	123.3°
C14	C15	C16	C17	28.9°	24.0°
C14	C15	C16	H161	91.3°	143.2°
C14	C15	C16	H162	149.0°	95.2°
C15	C14	C8	C7	59.1°	63.4°
C15	C14	C8	C9	178.2°	177.4°
C15	C14	C8	HC81	58.0°	57.7°
C8	C14	C15	C16	179.2°	157.4°
C8	C14	C15	H151	57.2°	39.1°
C8	C14	C15	H152	59.2°	84.2°
C14	C8	C7	O1A	51.0°	59.3°
C14	C8	C7	C6	176.9°	179.2°
C14	C8	C7	C9	120.7°	118.7°
C14	C8	C7	HC81	119.2°	121.1°
C14	C8	C7	HC71	65.9°	60.7°
C14	C8	C9	HC81	119.4°	119.7°
C14	C8	C9	HC91	64.3°	62.8°
H141	C14	C15	C16	71.1°	76.3°
H141	C14	C15	H151	52.5°	165.4°
H141	C14	C15	H152	168.9°	42.1°
H141	C14	C8	C7	59.4°	62.9°
H141	C14	C8	C9	63.2°	56.3°
H141	C14	C8	HC81	176.5°	176.0°
C16	C15	H151	H152	122.9°	123.2°
C15	C16	C17	H161	120.2°	119.3°
C15	C16	C17	H162	120.0°	119.1°
C15	C16	H161	H162	120.1°	121.5°
C15	C16	C17	C20	127.9°	122.6°
C15	C16	C17	H171	118.4°	115.5°
H151	C15	C16	C17	152.5°	94.4°
H151	C15	C16	H161	32.3°	24.8°
H151	C15	C16	H162	87.4°	146.4°
H152	C15	C16	C17	91.1°	142.4°
H152	C15	C16	H161	148.8°	98.4°
H152	C15	C16	H162	29.0°	23.2°
C17	C16	H161	H162	120.1°	121.6°
C16	C17	C20	H171	121.8°	121.9°
C16	C17	C20	C21	179.9°	178.5°
C16	C17	C20	C22	59.2°	61.4°
C16	C17	C20	H201	59.7°	58.6°
H161	C16	C17	C20	112.0°	3.3°
H161	C16	C17	H171	1.8°	125.2°
H162	C16	C17	C20	7.9°	118.3°
H162	C16	C17	H171	121.6°	3.6°
C17	C20	C21	C22	122.5°	120.0°
C17	C20	C21	H201	118.5°	120.0°
C17	C20	C22	H201	118.4°	120.0°
C17	C20	C21	H211	10.2°	179.9°
C17	C20	C21	H212	109.8°	60.0°
C17	C20	C21	H213	130.3°	59.9°
C17	C20	C22	C23	179.4°	175.0°
C17	C20	C22	H221	62.4°	55.0°
C17	C20	C22	H222	59.4°	65.0°
H171	C17	C20	C21	58.1°	59.5°
H171	C17	C20	C22	62.6°	60.5°
H171	C17	C20	H201	178.5°	179.5°
H181	C18	H182	H183	120.0°	120.0°
H191	C19	H192	H193	120.0°	120.0°
O1A	C7	C6	C5	67.2°	59.9°
O1A	C7	C6	C26	53.3°	60.1°
O1A	C7	C6	C8	124.8°	119.9°
O1A	C7	C6	HC71	116.7°	120.0°
O1A	C7	C6	HC61	176.0°	180.0°
O1A	C7	C8	HC71	116.9°	120.0°
O1A	C7	C8	C9	69.7°	59.4°
O1A	C7	C8	HC81	170.2°	179.6°
HOA1	O1A	C7	C6	87.8°	60.1°
HOA1	O1A	C7	C8	36.8°	180.0°
HOA1	O1A	C7	HC71	155.3°	60.0°
O1B	C3	C2	C4	122.5°	120.0°
O1B	C3	C2	HC31	119.4°	120.0°
O1B	C3	C2	HC21	60.5°	60.1°
O1B	C3	C2	HC22	59.3°	59.9°
O1B	C3	C4	HC31	119.4°	120.0°
O1B	C3	C4	C5	179.6°	180.0°
O1B	C3	C4	HC41	59.9°	60.0°
O1B	C3	C4	HC42	60.4°	60.1°
HOB1	O1B	C3	C2	27.9°	60.0°
HOB1	O1B	C3	C4	150.7°	179.9°
HOB1	O1B	C3	HC31	91.2°	60.0°
C3	C2	HC21	HC22	120.0°	120.0°
C2	C3	C4	HC31	119.0°	120.0°
C2	C3	C4	C5	57.9°	60.0°
C2	C3	C4	HC41	61.8°	180.0°
C2	C3	C4	HC42	177.9°	59.9°
HC21	C2	C3	C4	61.9°	179.9°
HC21	C2	C3	HC31	180.0°	59.9°
HC22	C2	C3	C4	178.2°	60.1°
HC22	C2	C3	HC31	60.1°	179.9°
C21	C20	C22	H201	120.5°	120.0°
C20	C21	H211	H212	120.0°	120.0°
C20	C21	H211	H213	120.0°	120.0°
C20	C21	H212	H213	120.0°	119.9°
C21	C20	C22	C23	59.4°	65.0°
C21	C20	C22	H221	58.7°	175.0°
C21	C20	C22	H222	179.4°	54.9°
C22	C20	C21	H211	132.7°	60.0°
C22	C20	C21	H212	12.7°	60.0°
C22	C20	C21	H213	107.3°	180.0°
C20	C22	C23	H221	118.2°	120.0°
C20	C22	C23	H222	120.0°	120.0°
C20	C22	H221	H222	118.8°	120.1°
C20	C22	C23	C24	178.9°	180.0°
C20	C22	C23	H231	62.4°	60.0°
C20	C22	C23	H232	61.1°	60.0°
H201	C20	C21	H211	108.2°	60.0°
H201	C20	C21	H212	131.7°	180.0°
H201	C20	C21	H213	11.8°	60.0°
H201	C20	C22	C23	61.0°	55.0°
H201	C20	C22	H221	179.2°	65.0°
H201	C20	C22	H222	59.0°	174.9°
H211	C21	H212	H213	120.0°	120.1°
C23	C22	H221	H222	118.9°	120.0°
C22	C23	C24	H231	116.5°	120.0°
C22	C23	C24	H232	120.0°	120.0°
C22	C23	H231	H232	117.9°	120.0°
C22	C23	C24	O4	90.3°	0.0°
C22	C23	C24	O4A	89.1°	180.0°
H221	C22	C23	C24	62.9°	60.0°
H221	C22	C23	H231	179.5°	180.0°
H221	C22	C23	H232	57.1°	60.0°
H222	C22	C23	C24	58.9°	60.0°
H222	C22	C23	H231	57.6°	60.0°
H222	C22	C23	H232	178.9°	180.0°
C24	C23	H231	H232	117.9°	120.0°
C23	C24	O4	O4A	179.4°	180.0°
C23	C24	O4A	HOA4	179.4°	180.0°
H231	C23	C24	O4	26.2°	120.0°
H231	C23	C24	O4A	154.3°	60.0°
H232	C23	C24	O4	149.7°	120.0°
H232	C23	C24	O4A	30.9°	60.0°
O4	C24	O4A	HOA4	0.0°	0.0°
C3	C4	C5	HC41	119.7°	120.6°
C3	C4	C5	HC42	120.0°	120.6°
C3	C4	HC41	HC42	119.8°	120.1°
C3	C4	C5	C6	177.9°	179.1°
C3	C4	C5	HC51	66.1°	59.8°
HC31	C3	C4	C5	61.1°	59.9°
HC31	C3	C4	HC41	179.3°	60.0°
HC31	C3	C4	HC42	59.0°	179.9°
C5	C4	HC41	HC42	119.8°	118.1°
C4	C5	C6	HC51	115.6°	120.4°
C4	C5	C6	C26	53.6°	59.2°
C4	C5	C6	C7	64.2°	60.8°
C4	C5	C6	HC61	176.2°	179.1°
HC41	C4	C5	C6	58.2°	60.2°
HC41	C4	C5	HC51	174.2°	60.8°
HC42	C4	C5	C6	62.1°	58.5°
HC42	C4	C5	HC51	53.9°	179.6°
C5	C6	C26	C7	123.5°	120.2°
C5	C6	C26	HC61	116.8°	119.9°
C5	C6	C7	HC61	116.8°	120.0°
C5	C6	C26	C25	80.6°	174.9°
C5	C6	C26	H261	163.1°	65.1°
C5	C6	C26	H262	39.4°	54.9°
C5	C6	C7	C8	57.6°	60.0°
C5	C6	C7	HC71	176.1°	180.0°
HC51	C5	C6	C26	62.1°	61.2°
HC51	C5	C6	C7	179.8°	178.8°
HC51	C5	C6	HC61	60.6°	58.7°
C26	C6	C7	HC61	122.7°	119.9°
C6	C26	C25	H261	116.3°	120.0°
C6	C26	C25	H262	120.0°	120.0°
C6	C26	H261	H262	117.7°	120.0°
C6	C26	C25	H251	45.6°	60.0°
C6	C26	C25	H252	74.4°	60.0°
C6	C26	C25	H253	165.6°	180.0°
C26	C6	C7	C8	178.1°	179.9°
C26	C6	C7	HC71	63.4°	59.9°
C7	C6	C26	C25	155.9°	64.9°
C7	C6	C26	H261	39.7°	55.1°
C7	C6	C26	H262	84.1°	175.1°
C6	C7	C8	HC71	117.2°	120.1°
C6	C7	C8	C9	56.2°	60.6°
C6	C7	C8	HC81	63.9°	59.7°
HC61	C6	C26	C25	36.2°	55.0°
HC61	C6	C26	H261	80.1°	175.0°
HC61	C6	C26	H262	156.2°	65.0°
HC61	C6	C7	C8	59.2°	60.0°
HC61	C6	C7	HC71	59.3°	60.0°
C25	C26	H261	H262	117.7°	120.0°
C26	C25	H251	H252	120.0°	120.0°
C26	C25	H251	H253	120.0°	120.0°
C26	C25	H252	H253	120.0°	120.0°
H261	C26	C25	H251	161.9°	60.0°
H261	C26	C25	H252	41.8°	180.0°
H261	C26	C25	H253	78.2°	60.0°
H262	C26	C25	H251	74.4°	180.0°
H262	C26	C25	H252	165.6°	60.0°
H262	C26	C25	H253	45.6°	60.0°
H251	C25	H252	H253	120.0°	120.0°
C7	C8	C9	HC81	117.1°	120.3°
C7	C8	C9	HC91	59.1°	57.2°
HC71	C7	C8	C9	173.4°	179.4°
HC71	C7	C8	HC81	53.3°	60.4°
HC81	C8	C9	HC91	176.3°	177.5°

Definition date:	2003-03-25
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	CHC
Derived from:	1OT7