SO1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C5	sing	1.34Å	1.25Å
O14	H14	sing	0.97Å	0.95Å
C5	O15	doub	1.21Å	1.26Å
C5	C1	sing	1.51Å	1.57Å
C1	C4	sing	1.55Å	1.59Å
C1	C3	sing	1.56Å	1.63Å
C1	C2	sing	1.57Å	1.57Å
C4	C12	sing	1.55Å	1.38Å
C4	C13	sing	1.52Å	1.52Å
C4	H4	sing	1.11Å	1.12Å
C12	C6	sing	1.57Å	1.51Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.12Å
C6	C10	sing	1.56Å	1.56Å
C6	C2	sing	1.56Å	1.57Å
C6	H6	sing	1.09Å	1.12Å
C10	C3	sing	1.55Å	1.57Å
C10	H101	sing	1.10Å	1.11Å
C10	H102	sing	1.08Å	1.12Å
C3	C11	sing	1.52Å	1.54Å
C3	C9	sing	1.53Å	1.58Å
C11	O19	doub	1.21Å	1.21Å
C11	H11	sing	1.08Å	1.10Å
C9	C18	sing	1.54Å	1.51Å
C9	C16	sing	1.55Å	1.57Å
C9	H9	sing	1.10Å	1.11Å
C18	C24	sing	1.56Å	1.53Å
C18	H181	sing	1.09Å	1.11Å
C18	H182	sing	1.09Å	1.11Å
C24	C22	sing	1.55Å	1.55Å
C24	H241	sing	1.09Å	1.11Å
C24	H242	sing	1.09Å	1.11Å
C22	C25	sing	1.53Å	1.53Å
C22	C16	sing	1.52Å	1.55Å
C22	H22	sing	1.09Å	1.12Å
C25	H251	sing	1.09Å	1.12Å
C25	H252	sing	1.09Å	1.11Å
C25	H253	sing	1.09Å	1.12Å
C16	C7	sing	1.50Å	1.53Å
C16	H16	sing	1.09Å	1.12Å
C7	C2	sing	1.52Å	1.60Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C2	C8	sing	1.53Å	1.57Å
C8	O17	sing	1.43Å	1.41Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
O17	C52	sing	1.43Å	1.39Å
C52	O56	sing	1.43Å	1.46Å
C52	C53	sing	1.53Å	1.56Å
C52	H52	sing	1.09Å	1.11Å
O56	C56	sing	1.43Å	1.44Å
C56	C61	sing	1.53Å	1.53Å
C56	C55	sing	1.53Å	1.56Å
C56	H56	sing	1.09Å	1.12Å
C61	H611	sing	1.09Å	1.12Å
C61	H612	sing	1.09Å	1.11Å
C61	H613	sing	1.09Å	1.11Å
C55	O64	sing	1.43Å	1.44Å
C55	C54	sing	1.53Å	1.54Å
C55	H55	sing	1.09Å	1.12Å
O64	C65	sing	1.43Å	1.43Å
C65	H651	sing	1.09Å	1.12Å
C65	H652	sing	1.09Å	1.12Å
C65	H653	sing	1.09Å	1.11Å
C54	O60	sing	1.43Å	1.43Å
C54	C53	sing	1.53Å	1.54Å
C54	H54	sing	1.09Å	1.12Å
O60	H60	sing	0.97Å	0.95Å
C53	O57	sing	1.43Å	1.43Å
C53	H53	sing	1.09Å	1.12Å
O57	H57	sing	0.97Å	0.95Å
C13	C20	sing	1.53Å	1.54Å
C13	C21	sing	1.53Å	1.55Å
C13	H13	sing	1.09Å	1.11Å
C20	H201	sing	1.09Å	1.11Å
C20	H202	sing	1.09Å	1.11Å
C20	H203	sing	1.09Å	1.12Å
C21	H211	sing	1.09Å	1.11Å
C21	H212	sing	1.09Å	1.12Å
C21	H213	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	O14	H14	127.2°	120.0°
O14	C5	O15	127.2°	120.0°
O14	C5	C1	116.0°	120.0°
O15	C5	C1	116.8°	120.0°
C5	C1	C4	111.6°	114.2°
C5	C1	C3	114.5°	116.2°
C5	C1	C2	118.9°	115.2°
C4	C1	C3	111.3°	110.8°
C4	C1	C2	100.2°	97.7°
C1	C4	C12	104.6°	105.7°
C1	C4	C13	127.2°	116.4°
C1	C4	H4	130.1°	108.4°
C3	C1	C2	99.1°	100.6°
C1	C3	C10	102.0°	102.5°
C1	C3	C11	109.9°	117.0°
C1	C3	C9	107.6°	106.5°
C1	C2	C6	89.1°	95.5°
C1	C2	C7	114.5°	113.4°
C1	C2	C8	118.4°	112.2°
C12	C4	C13	128.2°	112.2°
C12	C4	H4	125.2°	108.0°
C4	C12	C6	105.9°	102.9°
C4	C12	H121	113.6°	110.7°
C4	C12	H122	113.6°	111.5°
C13	C4	H4	3.5°	105.8°
C4	C13	C20	112.4°	109.5°
C4	C13	C21	111.5°	109.5°
C4	C13	H13	105.8°	109.5°
C6	C12	H121	113.6°	110.1°
C6	C12	H122	113.6°	111.1°
C12	C6	C10	106.2°	100.6°
C12	C6	C2	102.2°	99.6°
C12	C6	H6	115.6°	116.1°
H121	C12	H122	96.9°	110.4°
C10	C6	C2	108.5°	104.4°
C10	C6	H6	110.1°	116.6°
C6	C10	C3	99.5°	104.9°
C6	C10	H101	116.0°	108.6°
C6	C10	H102	116.0°	113.2°
C2	C6	H6	113.6°	116.9°
C6	C2	C7	119.2°	112.7°
C6	C2	C8	113.9°	112.4°
C3	C10	H101	116.1°	108.9°
C3	C10	H102	116.1°	113.4°
C10	C3	C11	111.9°	113.7°
C10	C3	C9	114.2°	106.5°
H101	C10	H102	94.4°	107.7°
C11	C3	C9	110.8°	109.9°
C3	C11	O19	125.4°	120.0°
C3	C11	H11	130.1°	120.0°
C3	C9	C18	121.5°	115.1°
C3	C9	C16	109.7°	107.2°
C3	C9	H9	98.1°	111.8°
O19	C11	H11	104.4°	120.0°
C18	C9	C16	98.0°	100.3°
C18	C9	H9	109.8°	109.5°
C9	C18	C24	101.3°	102.3°
C9	C18	H181	115.3°	110.8°
C9	C18	H182	115.3°	110.9°
C16	C9	H9	121.5°	112.5°
C9	C16	C22	101.9°	103.0°
C9	C16	C7	112.3°	107.1°
C9	C16	H16	117.2°	112.0°
C24	C18	H181	115.3°	110.5°
C24	C18	H182	115.3°	110.8°
C18	C24	C22	106.6°	106.1°
C18	C24	H241	113.3°	110.1°
C18	C24	H242	113.3°	110.2°
H181	C18	H182	95.2°	111.3°
C22	C24	H241	113.3°	110.0°
C22	C24	H242	113.3°	110.1°
C24	C22	C25	109.8°	110.4°
C24	C22	C16	102.4°	104.6°
C24	C22	H22	115.7°	109.9°
H241	C24	H242	97.2°	110.3°
C25	C22	C16	114.6°	111.7°
C25	C22	H22	103.8°	110.3°
C22	C25	H251	109.8°	109.4°
C22	C25	H252	112.1°	109.5°
C22	C25	H253	112.1°	109.5°
C16	C22	H22	111.0°	109.8°
C22	C16	C7	120.1°	119.7°
C22	C16	H16	108.8°	106.4°
H251	C25	H252	112.1°	109.5°
H251	C25	H253	112.0°	109.5°
H252	C25	H253	98.4°	109.5°
C7	C16	H16	97.5°	108.6°
C16	C7	C2	114.3°	110.2°
C16	C7	H71	110.5°	110.7°
C16	C7	H72	110.5°	109.4°
C2	C7	H71	110.4°	108.9°
C2	C7	H72	110.4°	109.1°
C7	C2	C8	102.4°	109.9°
H71	C7	H72	99.8°	108.6°
C2	C8	O17	108.2°	109.5°
C2	C8	H81	112.7°	109.5°
C2	C8	H82	112.7°	109.5°
O17	C8	H81	112.6°	109.4°
O17	C8	H82	112.7°	109.5°
C8	O17	C52	114.2°	106.9°
H81	C8	H82	97.8°	109.5°
O17	C52	O56	109.9°	109.4°
O17	C52	C53	113.7°	109.4°
O17	C52	H52	107.3°	109.4°
O56	C52	C53	112.4°	109.8°
O56	C52	H52	108.7°	109.4°
C52	O56	C56	112.8°	107.6°
C53	C52	H52	104.5°	109.4°
C52	C53	C54	109.6°	109.1°
C52	C53	O57	111.0°	109.5°
C52	C53	H53	108.1°	109.6°
O56	C56	C61	107.5°	109.4°
O56	C56	C55	109.6°	109.9°
O56	C56	H56	111.7°	109.4°
C61	C56	C55	112.2°	109.4°
C61	C56	H56	109.1°	109.4°
C56	C61	H611	107.5°	109.5°
C56	C61	H612	112.9°	109.5°
C56	C61	H613	113.0°	109.5°
C55	C56	H56	106.9°	109.4°
C56	C55	O64	111.1°	109.6°
C56	C55	C54	110.3°	109.1°
C56	C55	H55	107.6°	109.6°
H611	C61	H612	112.9°	109.4°
H611	C61	H613	112.9°	109.5°
H612	C61	H613	97.6°	109.5°
O64	C55	C54	108.8°	109.5°
O64	C55	H55	109.1°	109.5°
C55	O64	C65	114.2°	106.9°
C54	C55	H55	110.0°	109.5°
C55	C54	O60	110.4°	109.6°
C55	C54	C53	110.0°	108.7°
C55	C54	H54	108.4°	109.7°
O64	C65	H651	114.1°	109.5°
O64	C65	H652	110.5°	109.5°
O64	C65	H653	110.5°	109.4°
H651	C65	H652	110.4°	109.5°
H651	C65	H653	110.5°	109.5°
H652	C65	H653	99.8°	109.5°
O60	C54	C53	109.1°	109.6°
O60	C54	H54	109.3°	109.6°
C54	O60	H60	110.4°	106.9°
C53	C54	H54	109.7°	109.6°
C54	C53	O57	108.7°	109.5°
C54	C53	H53	110.3°	109.6°
O57	C53	H53	109.0°	109.5°
C53	O57	H57	110.9°	106.8°
C20	C13	C21	109.0°	109.5°
C20	C13	H13	108.5°	109.4°
C13	C20	H201	112.4°	109.5°
C13	C20	H202	111.1°	109.5°
C13	C20	H203	111.1°	109.4°
C21	C13	H13	109.5°	109.4°
C13	C21	H211	111.5°	109.4°
C13	C21	H212	111.5°	109.5°
C13	C21	H213	111.5°	109.5°
H201	C20	H202	111.2°	109.5°
H201	C20	H203	111.1°	109.5°
H202	C20	H203	99.2°	109.4°
H211	C21	H212	111.4°	109.5°
H211	C21	H213	111.5°	109.4°
H212	C21	H213	98.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C5	O15	C1	179.3°	179.9°
O14	C5	C1	C4	103.7°	83.9°
O14	C5	C1	C3	128.8°	47.0°
O14	C5	C1	C2	12.1°	164.3°
H14	O14	C5	O15	180.0°	0.1°
H14	O14	C5	C1	0.6°	180.0°
O15	C5	C1	C4	75.7°	96.0°
O15	C5	C1	C3	51.8°	133.0°
O15	C5	C1	C2	168.5°	15.8°
C5	C1	C4	C3	129.2°	133.5°
C5	C1	C4	C2	126.8°	122.0°
C5	C1	C3	C2	127.6°	125.0°
C5	C1	C4	C12	163.1°	159.6°
C5	C1	C4	C13	17.3°	75.1°
C5	C1	C4	H4	15.0°	44.0°
C5	C1	C2	C6	175.7°	179.0°
C5	C1	C3	C10	176.1°	168.8°
C5	C1	C3	C11	65.0°	66.1°
C5	C1	C3	C9	55.7°	57.2°
C5	C1	C2	C7	62.3°	63.3°
C5	C1	C2	C8	58.7°	62.1°
C4	C1	C3	C2	104.8°	102.5°
C1	C4	C12	C13	179.6°	127.9°
C1	C4	C12	H4	178.2°	115.9°
C1	C4	C13	H4	149.3°	120.5°
C1	C4	C12	C6	1.0°	2.5°
C1	C4	C12	H121	124.3°	115.0°
C1	C4	C12	H122	126.3°	121.7°
C4	C1	C2	C6	53.9°	57.7°
C4	C1	C3	C10	56.2°	58.7°
C4	C1	C3	C11	62.6°	66.4°
C4	C1	C3	C9	176.7°	170.4°
C4	C1	C2	C7	176.0°	175.4°
C4	C1	C2	C8	63.0°	59.2°
C1	C4	C13	C20	148.7°	178.7°
C1	C4	C13	C21	88.6°	61.3°
C1	C4	C13	H13	30.4°	58.7°
C3	C1	C4	C12	67.7°	66.8°
C3	C1	C4	C13	111.9°	58.5°
C3	C1	C4	H4	114.2°	177.6°
C1	C3	C10	C6	12.7°	13.9°
C3	C1	C2	C6	59.8°	55.2°
C1	C3	C10	C11	117.4°	127.2°
C1	C3	C10	C9	115.7°	111.7°
C1	C3	C10	H101	137.9°	102.2°
C1	C3	C10	H102	112.6°	137.9°
C1	C3	C11	C9	118.7°	121.5°
C1	C3	C11	O19	111.1°	84.0°
C1	C3	C11	H11	68.9°	96.0°
C1	C3	C9	C18	177.3°	176.2°
C1	C3	C9	C16	69.7°	73.3°
C1	C3	C9	H9	58.0°	50.4°
C3	C1	C2	C7	62.2°	62.5°
C3	C1	C2	C8	176.7°	172.1°
C2	C1	C4	C12	36.3°	37.6°
C2	C1	C4	C13	144.1°	162.9°
C2	C1	C4	H4	141.8°	78.0°
C1	C2	C6	C12	56.3°	57.0°
C1	C2	C6	C10	55.7°	46.7°
C1	C2	C6	C7	117.9°	118.3°
C1	C2	C6	C8	120.9°	116.8°
C1	C2	C6	H6	178.5°	177.1°
C2	C1	C3	C10	48.5°	43.8°
C2	C1	C3	C11	167.4°	168.9°
C2	C1	C3	C9	71.9°	67.9°
C1	C2	C7	C16	50.2°	59.6°
C1	C2	C7	C8	129.5°	126.6°
C1	C2	C7	H71	175.4°	61.9°
C1	C2	C7	H72	75.2°	179.7°
C1	C2	C8	O17	159.5°	173.4°
C1	C2	C8	H81	75.3°	53.5°
C1	C2	C8	H82	34.2°	66.6°
C12	C4	C13	H4	31.2°	117.5°
C4	C12	C6	H121	125.3°	118.0°
C4	C12	C6	H122	125.3°	119.4°
C4	C12	H121	H122	119.5°	124.0°
C4	C12	C6	C10	75.3°	72.8°
C4	C12	C6	C2	38.3°	34.0°
C4	C12	C6	H6	162.3°	160.4°
C12	C4	C13	C20	30.8°	56.7°
C12	C4	C13	C21	91.9°	176.7°
C12	C4	C13	H13	149.1°	63.3°
C13	C4	C12	C6	178.6°	130.4°
C13	C4	C12	H121	56.1°	12.9°
C13	C4	C12	H122	53.3°	110.4°
C4	C13	C20	C21	124.1°	120.1°
C4	C13	C20	H13	116.7°	120.0°
C4	C13	C21	H13	116.8°	120.0°
C4	C13	C20	H201	179.9°	170.4°
C4	C13	C20	H202	54.7°	69.5°
C4	C13	C20	H203	54.8°	50.4°
C4	C13	C21	H211	180.0°	44.0°
C4	C13	C21	H212	54.7°	76.0°
C4	C13	C21	H213	54.7°	163.9°
H4	C4	C12	C6	179.2°	113.3°
H4	C4	C12	H121	53.9°	129.1°
H4	C4	C12	H122	55.5°	5.8°
H4	C4	C13	C20	62.0°	60.9°
H4	C4	C13	C21	60.7°	59.2°
H4	C4	C13	H13	179.7°	179.2°
C6	C12	H121	H122	119.4°	123.0°
C12	C6	C10	C2	109.2°	102.9°
C12	C6	C10	H6	125.9°	126.5°
C12	C6	C2	H6	125.3°	125.9°
C12	C6	C10	C3	81.9°	81.7°
C12	C6	C10	H101	152.8°	34.5°
C12	C6	C10	H102	43.4°	154.1°
C12	C6	C2	C7	174.1°	175.3°
C12	C6	C2	C8	64.6°	59.8°
H121	C12	C6	C10	159.5°	45.1°
H121	C12	C6	C2	86.9°	151.9°
H121	C12	C6	H6	37.0°	81.7°
H122	C12	C6	C10	50.1°	167.7°
H122	C12	C6	C2	163.7°	85.5°
H122	C12	C6	H6	72.4°	40.9°
C10	C6	C2	H6	122.8°	130.4°
C6	C10	C3	H101	125.2°	116.0°
C6	C10	C3	H102	125.3°	124.0°
C6	C10	H101	H102	121.8°	123.0°
C6	C10	C3	C11	130.1°	141.0°
C6	C10	C3	C9	103.0°	97.8°
C10	C6	C2	C7	62.2°	71.6°
C10	C6	C2	C8	176.6°	163.5°
C2	C6	C10	C3	27.3°	21.2°
C2	C6	C10	H101	98.0°	137.5°
C2	C6	C10	H102	152.6°	102.9°
C6	C2	C7	C16	53.5°	47.6°
C6	C2	C7	C8	126.8°	126.3°
C6	C2	C7	H71	71.8°	169.1°
C6	C2	C7	H72	178.8°	72.5°
C6	C2	C8	O17	56.7°	67.1°
C6	C2	C8	H81	178.0°	52.8°
C6	C2	C8	H82	68.5°	172.9°
H6	C6	C10	C3	152.2°	151.8°
H6	C6	C10	H101	26.9°	91.9°
H6	C6	C10	H102	82.5°	27.7°
H6	C6	C2	C7	60.6°	58.9°
H6	C6	C2	C8	60.6°	66.1°
C3	C10	H101	H102	121.9°	123.4°
C10	C3	C11	C9	128.7°	119.3°
C10	C3	C11	O19	1.4°	156.8°
C10	C3	C11	H11	178.6°	23.2°
C10	C3	C9	C18	70.3°	75.0°
C10	C3	C9	C16	42.7°	35.5°
C10	C3	C9	H9	170.4°	159.2°
H101	C10	C3	C11	104.7°	25.0°
H101	C10	C3	C9	22.2°	146.2°
H102	C10	C3	C11	4.8°	94.9°
H102	C10	C3	C9	131.7°	26.2°
C3	C11	O19	H11	180.0°	180.0°
C11	C3	C9	C18	57.1°	48.6°
C11	C3	C9	C16	170.2°	159.1°
C11	C3	C9	H9	62.1°	77.2°
C9	C3	C11	O19	130.2°	37.5°
C9	C3	C11	H11	49.9°	142.4°
C3	C9	C18	C16	119.0°	114.6°
C3	C9	C18	H9	113.3°	126.9°
C3	C9	C16	H9	113.2°	123.3°
C3	C9	C18	C24	169.7°	159.0°
C3	C9	C18	H181	44.5°	83.3°
C3	C9	C18	H182	65.0°	40.8°
C3	C9	C16	C22	179.4°	168.3°
C3	C9	C16	C7	50.7°	64.6°
C3	C9	C16	H16	60.9°	54.4°
C18	C9	C16	H9	119.2°	116.2°
C9	C18	C24	H181	125.2°	117.9°
C9	C18	C24	H182	125.3°	118.2°
C9	C18	H181	H182	121.1°	123.9°
C9	C18	C24	C22	32.1°	25.3°
C9	C18	C24	H241	157.3°	93.6°
C9	C18	C24	H242	93.2°	144.5°
C18	C9	C16	C22	51.8°	47.9°
C18	C9	C16	C7	178.3°	175.0°
C18	C9	C16	H16	66.7°	66.0°
C16	C9	C18	C24	50.7°	44.4°
C16	C9	C18	H181	74.6°	162.1°
C16	C9	C18	H182	176.0°	73.8°
C9	C16	C22	C24	31.8°	31.9°
C9	C16	C22	C25	87.1°	87.5°
C9	C16	C22	C7	124.7°	118.7°
C9	C16	C22	H16	124.4°	117.9°
C9	C16	C22	H22	155.8°	149.8°
C9	C16	C7	H16	123.5°	121.1°
C9	C16	C7	C2	40.1°	56.6°
C9	C16	C7	H71	165.3°	63.9°
C9	C16	C7	H72	85.2°	176.5°
H9	C9	C18	C24	77.0°	74.1°
H9	C9	C18	H181	157.7°	43.6°
H9	C9	C18	H182	48.3°	167.8°
H9	C9	C16	C22	67.3°	68.4°
H9	C9	C16	C7	62.5°	58.8°
H9	C9	C16	H16	174.2°	177.7°
C24	C18	H181	H182	121.2°	123.5°
C18	C24	C22	H241	125.3°	119.0°
C18	C24	C22	H242	125.2°	119.2°
C18	C24	H241	H242	119.2°	121.8°
C18	C24	C22	C25	121.6°	116.2°
C18	C24	C22	C16	0.5°	4.1°
C18	C24	C22	H22	121.3°	121.9°
H181	C18	C24	C22	93.1°	143.3°
H181	C18	C24	H241	32.1°	24.3°
H181	C18	C24	H242	141.6°	97.6°
H182	C18	C24	C22	157.3°	92.9°
H182	C18	C24	H241	77.4°	148.2°
H182	C18	C24	H242	32.1°	26.3°
C22	C24	H241	H242	119.2°	121.6°
C24	C22	C25	C16	114.6°	115.9°
C24	C22	C25	H22	124.2°	121.7°
C24	C22	C16	H22	124.0°	117.9°
C24	C22	C25	H251	180.0°	64.1°
C24	C22	C25	H252	54.8°	55.9°
C24	C22	C25	H253	54.8°	175.9°
C24	C22	C16	C7	156.5°	150.5°
C24	C22	C16	H16	92.6°	86.0°
H241	C24	C22	C25	113.1°	2.8°
H241	C24	C22	C16	124.7°	123.1°
H241	C24	C22	H22	3.9°	119.1°
H242	C24	C22	C25	3.6°	124.5°
H242	C24	C22	C16	125.7°	115.1°
H242	C24	C22	H22	113.4°	2.7°
C25	C22	C16	H22	117.1°	122.7°
C22	C25	H251	H252	125.3°	120.0°
C22	C25	H251	H253	125.2°	120.0°
C22	C25	H252	H253	118.0°	120.0°
C25	C22	C16	C7	37.7°	31.1°
C25	C22	C16	H16	148.6°	154.6°
C16	C22	C25	H251	65.4°	180.0°
C16	C22	C25	H252	169.3°	60.0°
C16	C22	C25	H253	59.8°	60.0°
C22	C16	C7	H16	116.8°	122.4°
C22	C16	C7	C2	159.8°	173.1°
C22	C16	C7	H71	75.0°	52.7°
C22	C16	C7	H72	34.5°	67.0°
H22	C22	C25	H251	55.8°	57.6°
H22	C22	C25	H252	69.5°	177.5°
H22	C22	C25	H253	179.0°	62.4°
H22	C22	C16	C7	79.5°	91.6°
H22	C22	C16	H16	31.4°	31.9°
H251	C25	H252	H253	117.9°	120.1°
C16	C7	C2	H71	125.3°	121.5°
C16	C7	C2	H72	125.3°	120.1°
C16	C7	H71	H72	116.4°	120.1°
C16	C7	C2	C8	179.7°	173.8°
H16	C16	C7	C2	83.4°	64.5°
H16	C16	C7	H71	41.8°	175.0°
H16	C16	C7	H72	151.3°	55.4°
C2	C7	H71	H72	116.2°	118.7°
C7	C2	C8	O17	73.5°	59.3°
C7	C2	C8	H81	51.8°	179.3°
C7	C2	C8	H82	161.3°	60.7°
H71	C7	C2	C8	55.1°	64.7°
H72	C7	C2	C8	54.3°	53.7°
C2	C8	O17	H81	125.3°	120.0°
C2	C8	O17	H82	125.3°	120.0°
C2	C8	H81	H82	118.6°	120.0°
C2	C8	O17	C52	177.5°	180.0°
O17	C8	H81	H82	118.6°	120.0°
C8	O17	C52	O56	59.5°	59.9°
C8	O17	C52	C53	173.5°	179.7°
C8	O17	C52	H52	58.5°	59.9°
H81	C8	O17	C52	52.2°	60.0°
H82	C8	O17	C52	57.2°	60.0°
O17	C52	O56	C53	127.7°	120.2°
O17	C52	O56	H52	117.2°	119.8°
O17	C52	C53	H52	116.6°	119.8°
O17	C52	O56	C56	173.9°	172.4°
O17	C52	C53	C54	179.6°	178.7°
O17	C52	C53	O57	59.4°	61.4°
O17	C52	C53	H53	60.1°	58.8°
O56	C52	C53	H52	117.7°	120.0°
C52	O56	C56	C61	178.3°	172.4°
C52	O56	C56	C55	59.6°	67.5°
C52	O56	C56	H56	58.7°	52.6°
O56	C52	C53	C54	53.9°	61.1°
O56	C52	C53	O57	66.2°	58.8°
O56	C52	C53	H53	174.2°	178.9°
C53	C52	O56	C56	58.4°	67.5°
C52	C53	C54	C55	53.0°	53.5°
C52	C53	C54	O60	68.1°	66.3°
C52	C53	C54	O57	121.5°	119.9°
C52	C53	C54	H53	119.0°	120.0°
C52	C53	C54	H54	172.2°	173.5°
C52	C53	O57	H53	119.0°	120.2°
C52	C53	O57	H57	180.0°	60.0°
H52	C52	O56	C56	56.7°	52.6°
H52	C52	C53	C54	63.8°	58.9°
H52	C52	C53	O57	176.1°	178.8°
H52	C52	C53	H53	56.5°	61.0°
O56	C56	C61	C55	120.6°	120.4°
O56	C56	C61	H56	121.2°	119.8°
O56	C56	C55	H56	121.2°	120.1°
O56	C56	C61	H611	180.0°	64.1°
O56	C56	C61	H612	54.7°	176.0°
O56	C56	C61	H613	54.8°	56.0°
O56	C56	C55	O64	179.2°	178.9°
O56	C56	C55	C54	58.5°	61.2°
O56	C56	C55	H55	61.4°	58.7°
C61	C56	C55	H56	119.5°	119.9°
C56	C61	H611	H612	125.2°	120.0°
C56	C61	H611	H613	125.3°	120.1°
C56	C61	H612	H613	118.9°	120.1°
C61	C56	C55	O64	61.5°	58.8°
C61	C56	C55	C54	177.8°	178.8°
C61	C56	C55	H55	57.9°	61.4°
C55	C56	C61	H611	59.4°	175.6°
C55	C56	C61	H612	65.8°	55.6°
C55	C56	C61	H613	175.3°	64.4°
C56	C55	O64	C54	121.6°	119.7°
C56	C55	O64	H55	118.5°	120.2°
C56	C55	C54	H55	118.5°	119.9°
C56	C55	O64	C65	119.9°	147.9°
C56	C55	C54	O60	64.4°	66.2°
C56	C55	C54	C53	56.0°	53.5°
C56	C55	C54	H54	176.0°	173.4°
H56	C56	C61	H611	58.8°	55.7°
H56	C56	C61	H612	176.0°	64.2°
H56	C56	C61	H613	66.4°	175.8°
H56	C56	C55	O64	58.0°	61.0°
H56	C56	C55	C54	62.7°	58.9°
H56	C56	C55	H55	177.4°	178.8°
H611	C61	H612	H613	118.8°	120.0°
O64	C55	C54	H55	119.4°	120.1°
C55	O64	C65	H651	180.0°	175.7°
C55	O64	C65	H652	54.8°	64.2°
C55	O64	C65	H653	54.8°	55.7°
O64	C55	C54	O60	57.7°	53.8°
O64	C55	C54	C53	178.1°	173.5°
O64	C55	C54	H54	61.9°	66.6°
C54	C55	O64	C65	118.5°	92.4°
C55	C54	O60	C53	120.9°	119.2°
C55	C54	O60	H54	119.1°	120.5°
C55	C54	C53	H54	119.2°	119.9°
C55	C54	O60	H60	179.9°	179.2°
C55	C54	C53	O57	68.4°	66.4°
C55	C54	C53	H53	172.0°	173.5°
H55	C55	O64	C65	1.4°	27.7°
H55	C55	C54	O60	177.1°	173.9°
H55	C55	C54	C53	62.5°	66.4°
H55	C55	C54	H54	57.4°	53.5°
O64	C65	H651	H652	125.2°	120.0°
O64	C65	H651	H653	125.3°	120.0°
O64	C65	H652	H653	116.4°	119.9°
H651	C65	H652	H653	116.4°	120.0°
O60	C54	C53	H54	119.7°	120.3°
O60	C54	C53	O57	170.4°	173.9°
O60	C54	C53	H53	50.9°	53.7°
C53	C54	O60	H60	59.1°	60.0°
C54	C53	O57	H53	120.3°	120.2°
C54	C53	O57	H57	59.3°	179.6°
H54	C54	O60	H60	60.8°	60.3°
H54	C54	C53	O57	50.7°	53.6°
H54	C54	C53	H53	68.8°	66.6°
H53	C53	O57	H57	61.0°	60.2°
C20	C13	C21	H13	118.5°	119.9°
C13	C20	H201	H202	125.3°	120.0°
C13	C20	H201	H203	125.2°	120.0°
C13	C20	H202	H203	117.0°	119.9°
C20	C13	C21	H211	55.3°	76.1°
C20	C13	C21	H212	70.0°	163.9°
C20	C13	C21	H213	179.4°	43.9°
C21	C13	C20	H201	55.8°	50.4°
C21	C13	C20	H202	178.8°	170.4°
C21	C13	C20	H203	69.4°	69.7°
C13	C21	H211	H212	125.3°	120.0°
C13	C21	H211	H213	125.3°	120.0°
C13	C21	H212	H213	117.3°	120.1°
H13	C13	C20	H201	63.3°	69.6°
H13	C13	C20	H202	62.0°	50.5°
H13	C13	C20	H203	171.5°	170.4°
H13	C13	C21	H211	63.3°	164.0°
H13	C13	C21	H212	171.5°	44.0°
H13	C13	C21	H213	62.1°	76.0°
H201	C20	H202	H203	117.0°	120.0°
H211	C21	H212	H213	117.4°	119.9°

Definition date:	2003-01-20
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1N0U