PRD_900105

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.53Å
C1	O6	sing	1.43Å	1.42Å
C1	H1	sing	1.10Å	1.10Å
O1	C6	sing	1.42Å	1.42Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
C2	O2	sing	1.42Å	1.42Å
C2	C3	sing	1.53Å	1.53Å
C2	H23	sing	1.10Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.54Å
C3	H18	sing	1.10Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	S1	sing	1.83Å	1.84Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.10Å	1.10Å
S1	C7	sing	1.83Å	1.81Å
C5	O6	sing	1.43Å	1.45Å
C5	H51	sing	1.10Å	1.10Å
C5	H52	sing	1.10Å	1.10Å
C7	C8	sing	1.53Å	1.53Å
C7	O12	sing	1.43Å	1.43Å
C7	H7	sing	1.10Å	1.10Å
C8	O8	sing	1.43Å	1.42Å
C8	C9	sing	1.54Å	1.53Å
C8	H17	sing	1.10Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
C9	O9	sing	1.43Å	1.42Å
C9	C10	sing	1.53Å	1.54Å
C9	H12	sing	1.10Å	1.10Å
O9	HO9	sing	0.97Å	0.95Å
C10	S2	sing	1.83Å	1.83Å
C10	C11	sing	1.52Å	1.53Å
C10	H10	sing	1.10Å	1.10Å
S2	C13	sing	1.83Å	1.82Å
C11	O12	sing	1.43Å	1.44Å
C11	H111	sing	1.10Å	1.10Å
C11	H112	sing	1.10Å	1.10Å
C13	C14	sing	1.53Å	1.53Å
C13	O18	sing	1.43Å	1.43Å
C13	H13	sing	1.10Å	1.10Å
C14	O14	sing	1.43Å	1.42Å
C14	C15	sing	1.53Å	1.53Å
C14	H14	sing	1.10Å	1.10Å
O14	H11	sing	0.97Å	0.95Å
C15	O15	sing	1.43Å	1.42Å
C15	C16	sing	1.53Å	1.53Å
C15	H15	sing	1.10Å	1.10Å
O15	H9	sing	0.97Å	0.95Å
C16	S3	sing	1.83Å	1.82Å
C16	C17	sing	1.53Å	1.53Å
C16	H16	sing	1.10Å	1.10Å
S3	C19	sing	1.83Å	35.40Å
C17	O18	sing	1.43Å	1.45Å
C17	H171	sing	1.10Å	1.10Å
C17	H172	sing	1.10Å	1.10Å
C19	C20	sing	1.54Å	0.00Å
C19	O24	sing	1.43Å	0.00Å
C19	H19	sing	1.10Å	0.00Å
C21	O21	sing	1.43Å	0.00Å
C21	C20	sing	1.54Å	0.00Å
C21	C22	sing	1.53Å	0.00Å
C21	H21	sing	1.10Å	0.00Å
O21	H6	sing	0.97Å	0.00Å
C20	O20	sing	1.42Å	0.00Å
C20	H20	sing	1.10Å	0.00Å
O20	H8	sing	0.97Å	0.00Å
O24	C23	sing	1.43Å	0.00Å
C23	C22	sing	1.53Å	0.00Å
C23	H231	sing	1.10Å	0.00Å
C23	H232	sing	1.10Å	0.00Å
C22	S4	sing	1.82Å	0.00Å
C22	H22	sing	1.10Å	0.00Å
S4	C25	sing	1.83Å	0.00Å
C25	O30	sing	1.43Å	0.00Å
C25	C26	sing	1.53Å	0.00Å
C25	H25	sing	1.10Å	0.00Å
O30	C29	sing	1.43Å	0.00Å
C29	C28	sing	1.53Å	0.00Å
C29	H291	sing	1.10Å	0.00Å
C29	H292	sing	1.10Å	0.00Å
C28	C27	sing	1.53Å	0.00Å
C28	O28	sing	1.42Å	0.00Å
C28	H28	sing	1.10Å	0.00Å
C27	O27	sing	1.42Å	0.00Å
C27	C26	sing	1.53Å	0.00Å
C27	H27	sing	1.10Å	0.00Å
O27	H3	sing	0.97Å	0.00Å
C26	O26	sing	1.43Å	0.00Å
C26	H26	sing	1.09Å	0.00Å
O26	H5	sing	0.97Å	0.00Å
O28	H2	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	110.3°	110.2°
O1	C1	O6	111.9°	112.2°
O1	C1	H1	107.4°	106.5°
C1	O1	C6	112.2°	111.4°
C2	C1	O6	109.8°	109.9°
C2	C1	H1	109.5°	109.8°
C1	C2	O2	109.5°	109.0°
C1	C2	C3	110.8°	111.4°
C1	C2	H23	108.6°	109.8°
O6	C1	H1	107.9°	108.0°
C1	O6	C5	114.5°	113.0°
O1	C6	H61	109.5°	109.5°
O1	C6	H62	109.5°	109.5°
O1	C6	H63	109.4°	108.9°
H61	C6	H62	109.5°	110.1°
H61	C6	H63	109.5°	109.3°
H62	C6	H63	109.5°	109.4°
O2	C2	C3	109.5°	110.5°
O2	C2	H23	109.9°	107.1°
C2	O2	HO2	109.5°	106.7°
C3	C2	H23	108.6°	109.0°
C2	C3	O3	109.1°	108.8°
C2	C3	C4	111.9°	109.6°
C2	C3	H18	108.0°	110.1°
O3	C3	C4	109.3°	108.9°
O3	C3	H18	110.7°	107.3°
C3	O3	HO3	109.5°	106.3°
C4	C3	H18	107.9°	112.1°
C3	C4	S1	110.0°	111.0°
C3	C4	C5	110.3°	111.4°
C3	C4	H4	108.3°	108.7°
S1	C4	C5	108.9°	109.4°
S1	C4	H4	109.8°	106.9°
C4	S1	C7	103.3°	97.9°
C5	C4	H4	109.5°	109.3°
C4	C5	O6	110.8°	111.2°
C4	C5	H51	109.0°	112.2°
C4	C5	H52	108.7°	110.4°
S1	C7	C8	113.2°	110.2°
S1	C7	O12	108.4°	109.8°
S1	C7	H7	107.9°	106.1°
O6	C5	H51	109.0°	108.9°
O6	C5	H52	108.7°	106.8°
H51	C5	H52	110.5°	107.2°
C8	C7	O12	110.1°	110.6°
C8	C7	H7	106.1°	110.6°
C7	C8	O8	109.8°	110.3°
C7	C8	C9	110.1°	111.0°
C7	C8	H17	108.8°	111.1°
O12	C7	H7	111.1°	109.4°
C7	O12	C11	112.3°	112.4°
O8	C8	C9	109.3°	107.7°
O8	C8	H17	109.6°	107.7°
C8	O8	HO8	109.5°	106.4°
C9	C8	H17	109.3°	108.9°
C8	C9	O9	109.3°	107.7°
C8	C9	C10	111.9°	110.8°
C8	C9	H12	107.9°	109.6°
O9	C9	C10	109.3°	110.0°
O9	C9	H12	110.6°	107.2°
C9	O9	HO9	109.5°	106.4°
C10	C9	H12	107.8°	111.5°
C9	C10	S2	108.6°	111.0°
C9	C10	C11	109.9°	110.7°
C9	C10	H10	110.0°	108.8°
S2	C10	C11	110.1°	109.7°
S2	C10	H10	109.8°	107.0°
C10	S2	C13	104.9°	97.9°
C11	C10	H10	108.4°	109.6°
C10	C11	O12	110.1°	110.0°
C10	C11	H111	109.3°	112.4°
C10	C11	H112	109.1°	110.6°
S2	C13	C14	111.7°	110.2°
S2	C13	O18	109.3°	109.7°
S2	C13	H13	108.3°	106.1°
O12	C11	H111	109.3°	109.0°
O12	C11	H112	109.1°	107.0°
H111	C11	H112	110.0°	107.7°
C14	C13	O18	109.9°	110.6°
C14	C13	H13	107.6°	110.7°
C13	C14	O14	109.8°	110.3°
C13	C14	C15	110.1°	111.0°
C13	C14	H14	108.9°	111.1°
O18	C13	H13	110.1°	109.4°
C13	O18	C17	112.3°	112.4°
O14	C14	C15	109.9°	107.7°
O14	C14	H14	109.2°	107.7°
C14	O14	H11	109.5°	106.4°
C15	C14	H14	108.9°	108.9°
C14	C15	O15	109.5°	107.8°
C14	C15	C16	110.2°	110.8°
C14	C15	H15	109.0°	109.6°
O15	C15	C16	109.6°	109.9°
O15	C15	H15	109.6°	107.1°
C15	O15	H9	109.5°	106.3°
C16	C15	H15	108.9°	111.5°
C15	C16	S3	110.5°	111.1°
C15	C16	C17	109.6°	110.7°
C15	C16	H16	108.8°	108.8°
S3	C16	C17	110.0°	109.7°
S3	C16	H16	108.4°	107.0°
C16	S3	C19	36.1°	97.9°
C17	C16	H16	109.4°	109.5°
C16	C17	O18	110.4°	110.0°
C16	C17	H171	109.2°	112.4°
C16	C17	H172	108.9°	110.6°
S3	C19	C20	90.0°	110.4°
S3	C19	O24	90.0°	109.4°
S3	C19	H19	90.0°	106.1°
O18	C17	H171	109.2°	108.9°
O18	C17	H172	109.0°	107.0°
H171	C17	H172	110.2°	107.6°
C20	C19	O24	90.0°	110.3°
C20	C19	H19	90.0°	111.2°
C19	C20	C21	90.0°	110.6°
C19	C20	O20	90.0°	111.5°
C19	C20	H20	90.0°	110.1°
O24	C19	H19	90.0°	109.3°
C19	O24	C23	90.0°	113.2°
O21	C21	C20	90.0°	108.2°
O21	C21	C22	90.0°	110.5°
O21	C21	H21	90.0°	107.1°
C21	O21	H6	90.0°	106.3°
C20	C21	C22	90.0°	109.0°
C20	C21	H21	90.0°	110.2°
C21	C20	O20	90.0°	108.3°
C21	C20	H20	90.0°	108.1°
C22	C21	H21	90.0°	111.8°
C21	C22	C23	90.0°	110.2°
C21	C22	S4	90.0°	111.9°
C21	C22	H22	90.0°	108.2°
O20	C20	H20	90.0°	108.1°
C20	O20	H8	90.0°	106.6°
O24	C23	C22	90.0°	110.1°
O24	C23	H231	90.0°	106.8°
O24	C23	H232	90.0°	108.8°
C22	C23	H231	90.0°	110.6°
C22	C23	H232	90.0°	112.7°
C23	C22	S4	90.0°	110.2°
C23	C22	H22	90.0°	108.8°
H231	C23	H232	90.0°	107.5°
S4	C22	H22	90.0°	107.4°
C22	S4	C25	90.0°	98.1°
S4	C25	O30	90.0°	110.5°
S4	C25	C26	90.0°	111.2°
S4	C25	H25	90.0°	106.3°
O30	C25	C26	90.0°	110.1°
O30	C25	H25	90.0°	108.5°
C25	O30	C29	90.0°	112.4°
C26	C25	H25	90.0°	110.1°
C25	C26	C27	90.0°	109.4°
C25	C26	O26	90.0°	109.1°
C25	C26	H26	90.0°	112.1°
O30	C29	C28	90.0°	111.4°
O30	C29	H291	90.0°	109.6°
O30	C29	H292	90.0°	108.2°
C28	C29	H291	90.0°	111.4°
C28	C29	H292	90.0°	109.9°
C29	C28	C27	90.0°	110.5°
C29	C28	O28	90.0°	109.5°
C29	C28	H28	90.0°	110.1°
H291	C29	H292	90.0°	106.2°
C27	C28	O28	90.0°	110.0°
C27	C28	H28	90.0°	109.5°
C28	C27	O27	90.0°	110.1°
C28	C27	C26	90.0°	110.8°
C28	C27	H27	90.0°	109.7°
O28	C28	H28	90.0°	107.1°
C28	O28	H2	90.0°	106.5°
O27	C27	C26	90.0°	109.3°
O27	C27	H27	90.0°	106.8°
C27	O27	H3	90.0°	106.6°
C26	C27	H27	90.0°	110.1°
C27	C26	O26	90.0°	109.0°
C27	C26	H26	90.0°	110.0°
O26	C26	H26	90.0°	107.3°
C26	O26	H5	90.0°	106.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O6	123.7°	124.2°
O1	C1	C2	H1	118.0°	117.1°
O1	C1	O6	H1	117.9°	117.1°
C1	O1	C6	H61	23.5°	11.7°
C1	O1	C6	H62	143.5°	109.2°
C1	O1	C6	H63	96.5°	131.2°
O1	C1	C2	O2	52.4°	54.7°
O1	C1	C2	C3	68.5°	67.4°
O1	C1	C2	H23	172.3°	171.7°
O1	C1	O6	C5	61.9°	61.9°
C2	C1	O6	H1	119.3°	119.8°
C2	C1	O1	C6	95.5°	180.0°
C1	C2	O2	C3	121.6°	122.7°
C1	C2	O2	H23	119.2°	118.7°
C1	C2	C3	H23	119.2°	121.3°
C1	C2	O2	HO2	2.2°	79.0°
C1	C2	C3	O3	172.5°	170.7°
C1	C2	C3	C4	51.4°	51.8°
C1	C2	C3	H18	67.1°	71.9°
C2	C1	O6	C5	60.9°	61.2°
O6	C1	O1	C6	142.0°	57.1°
O6	C1	C2	O2	176.1°	179.0°
O6	C1	C2	C3	55.2°	56.8°
O6	C1	C2	H23	64.0°	64.0°
C1	O6	C5	C4	60.0°	60.2°
C1	O6	C5	H51	60.0°	64.0°
C1	O6	C5	H52	179.4°	179.4°
H1	C1	O1	C6	23.8°	60.9°
H1	C1	C2	O2	65.6°	62.4°
H1	C1	C2	C3	173.5°	175.5°
H1	C1	C2	H23	54.3°	54.6°
H1	C1	O6	C5	179.8°	179.0°
O1	C6	H61	H62	120.0°	120.5°
O1	C6	H61	H63	120.0°	119.3°
O1	C6	H62	H63	120.0°	119.3°
H61	C6	H62	H63	120.0°	120.2°
O2	C2	C3	H23	120.0°	117.5°
O2	C2	C3	O3	66.6°	68.0°
O2	C2	C3	C4	172.3°	173.1°
O2	C2	C3	H18	53.8°	49.4°
C3	C2	O2	HO2	119.4°	158.3°
C2	C3	O3	C4	122.7°	119.4°
C2	C3	O3	H18	118.7°	119.1°
C2	C3	C4	H18	118.6°	122.5°
C2	C3	O3	HO3	84.6°	166.7°
C2	C3	C4	S1	170.0°	172.4°
C2	C3	C4	C5	49.9°	50.2°
C2	C3	C4	H4	70.0°	70.3°
H23	C2	O2	HO2	121.4°	39.6°
H23	C2	C3	O3	53.4°	49.5°
H23	C2	C3	C4	67.7°	69.5°
H23	C2	C3	H18	173.7°	166.8°
O3	C3	C4	H18	120.4°	118.6°
O3	C3	C4	S1	69.0°	68.7°
O3	C3	C4	C5	170.9°	169.1°
O3	C3	C4	H4	51.0°	48.6°
C4	C3	O3	HO3	152.7°	47.3°
C3	C4	S1	C5	121.0°	123.4°
C3	C4	S1	H4	119.1°	118.4°
C3	C4	C5	H4	119.1°	120.2°
C3	C4	S1	C7	128.2°	176.7°
C3	C4	C5	O6	52.3°	54.1°
C3	C4	C5	H51	67.7°	68.2°
C3	C4	C5	H52	171.8°	172.4°
H18	C3	O3	HO3	34.1°	74.2°
H18	C3	C4	S1	51.4°	49.9°
H18	C3	C4	C5	68.8°	72.3°
H18	C3	C4	H4	171.4°	167.2°
S1	C4	C5	H4	120.0°	116.7°
S1	C4	C5	O6	173.2°	177.2°
S1	C4	C5	H51	53.1°	55.0°
S1	C4	C5	H52	67.4°	64.5°
C4	S1	C7	C8	125.2°	180.0°
C4	S1	C7	O12	112.4°	58.0°
C4	S1	C7	H7	8.1°	60.2°
C5	C4	S1	C7	110.9°	60.0°
C4	C5	O6	H51	120.0°	124.2°
C4	C5	O6	H52	119.4°	120.5°
C4	C5	H51	H52	119.4°	121.3°
H4	C4	S1	C7	9.0°	58.2°
H4	C4	C5	O6	66.8°	66.1°
H4	C4	C5	H51	173.2°	171.7°
H4	C4	C5	H52	52.6°	52.2°
S1	C7	C8	O12	121.5°	121.5°
S1	C7	C8	H7	118.1°	117.0°
S1	C7	O12	H7	118.4°	116.1°
S1	C7	C8	O8	62.0°	65.2°
S1	C7	C8	C9	177.6°	175.5°
S1	C7	C8	H17	57.8°	54.1°
S1	C7	O12	C11	172.5°	176.2°
O6	C5	H51	H52	119.4°	115.2°
C8	C7	O12	H7	117.3°	122.1°
C7	C8	O8	C9	120.9°	121.3°
C7	C8	O8	H17	119.4°	121.4°
C7	C8	C9	H17	119.4°	122.6°
C7	C8	O8	HO8	119.4°	107.9°
C7	C8	C9	O9	172.3°	169.4°
C7	C8	C9	C10	51.0°	49.0°
C7	C8	C9	H12	67.5°	74.4°
C8	C7	O12	C11	63.1°	62.0°
O12	C7	C8	O8	176.4°	173.2°
O12	C7	C8	C9	56.0°	54.0°
O12	C7	C8	H17	63.7°	67.4°
C7	O12	C11	C10	62.8°	63.5°
C7	O12	C11	H111	57.2°	60.2°
C7	O12	C11	H112	177.5°	176.3°
H7	C7	C8	O8	56.1°	51.8°
H7	C7	C8	C9	64.3°	67.5°
H7	C7	C8	H17	176.0°	171.1°
H7	C7	O12	C11	54.1°	60.2°
O8	C8	C9	H17	119.9°	116.5°
O8	C8	C9	O9	67.0°	69.8°
O8	C8	C9	C10	171.7°	169.9°
O8	C8	C9	H12	53.2°	46.5°
C9	C8	O8	HO8	1.5°	130.8°
C8	C9	O9	C10	122.8°	120.9°
C8	C9	O9	H12	118.6°	117.8°
C8	C9	C10	H12	118.5°	122.3°
C8	C9	O9	HO9	23.8°	60.9°
C8	C9	C10	S2	171.2°	172.6°
C8	C9	C10	C11	50.7°	50.5°
C8	C9	C10	H10	68.7°	70.0°
H17	C8	O8	HO8	121.2°	13.5°
H17	C8	C9	O9	52.9°	46.8°
H17	C8	C9	C10	68.4°	73.6°
H17	C8	C9	H12	173.1°	163.0°
O9	C9	C10	H12	120.2°	118.7°
O9	C9	C10	S2	67.6°	68.4°
O9	C9	C10	C11	171.9°	169.5°
O9	C9	C10	H10	52.6°	49.1°
C10	C9	O9	HO9	146.6°	59.9°
C9	C10	S2	C11	120.4°	122.7°
C9	C10	S2	H10	120.3°	118.5°
C9	C10	C11	H10	120.3°	120.0°
C9	C10	S2	C13	175.3°	177.3°
C9	C10	C11	O12	55.0°	56.8°
C9	C10	C11	H111	65.0°	64.8°
C9	C10	C11	H112	174.7°	174.8°
H12	C9	O9	HO9	94.8°	178.7°
H12	C9	C10	S2	52.6°	50.3°
H12	C9	C10	C11	67.9°	71.7°
H12	C9	C10	H10	172.8°	167.8°
S2	C10	C11	H10	120.1°	117.1°
S2	C10	C11	O12	174.6°	179.7°
S2	C10	C11	H111	54.6°	58.1°
S2	C10	C11	H112	65.7°	62.3°
C10	S2	C13	C14	142.6°	180.0°
C10	S2	C13	O18	95.6°	58.0°
C10	S2	C13	H13	24.3°	60.1°
C11	C10	S2	C13	64.3°	60.0°
C10	C11	O12	H111	120.0°	123.6°
C10	C11	O12	H112	119.7°	120.2°
C10	C11	H111	H112	119.7°	122.1°
H10	C10	S2	C13	55.0°	58.8°
H10	C10	C11	O12	65.2°	63.1°
H10	C10	C11	H111	174.7°	175.2°
H10	C10	C11	H112	54.5°	54.9°
S2	C13	C14	O18	121.5°	121.5°
S2	C13	C14	H13	118.7°	117.0°
S2	C13	O18	H13	118.8°	116.0°
S2	C13	C14	O14	59.9°	65.2°
S2	C13	C14	C15	179.1°	175.5°
S2	C13	C14	H14	59.7°	54.1°
S2	C13	O18	C17	175.3°	176.2°
O12	C11	H111	H112	119.7°	115.7°
C14	C13	O18	H13	118.3°	122.2°
C13	C14	O14	C15	121.2°	121.3°
C13	C14	O14	H14	119.4°	121.4°
C13	C14	C15	H14	119.4°	122.6°
C13	C14	O14	H11	165.9°	127.4°
C13	C14	C15	O15	175.0°	169.4°
C13	C14	C15	C16	54.4°	49.1°
C13	C14	C15	H15	65.1°	74.4°
C14	C13	O18	C17	61.8°	62.0°
O18	C13	C14	O14	178.7°	173.3°
O18	C13	C14	C15	57.6°	54.0°
O18	C13	C14	H14	61.8°	67.4°
C13	O18	C17	C16	61.5°	63.4°
C13	O18	C17	H171	58.6°	60.2°
C13	O18	C17	H172	178.9°	176.3°
H13	C13	C14	O14	58.8°	51.8°
H13	C13	C14	C15	62.3°	67.5°
H13	C13	C14	H14	178.3°	171.1°
H13	C13	O18	C17	56.6°	60.2°
O14	C14	C15	H14	119.6°	116.5°
O14	C14	C15	O15	64.0°	69.8°
O14	C14	C15	C16	175.4°	169.9°
O14	C14	C15	H15	56.0°	46.5°
C15	C14	O14	H11	44.6°	6.1°
C14	C15	O15	C16	121.0°	120.9°
C14	C15	O15	H15	119.5°	117.8°
C14	C15	C16	H15	119.5°	122.3°
C14	C15	O15	H9	123.1°	73.7°
C14	C15	C16	S3	175.0°	172.6°
C14	C15	C16	C17	53.6°	50.5°
C14	C15	C16	H16	66.0°	69.9°
H14	C14	O14	H11	74.8°	111.2°
H14	C14	C15	O15	55.6°	46.8°
H14	C14	C15	C16	65.0°	73.6°
H14	C14	C15	H15	175.5°	163.0°
O15	C15	C16	H15	119.9°	118.6°
O15	C15	C16	S3	64.4°	68.4°
O15	C15	C16	C17	174.1°	169.5°
O15	C15	C16	H16	54.5°	49.2°
C16	C15	O15	H9	2.1°	47.2°
C15	C16	S3	C17	121.2°	122.7°
C15	C16	S3	H16	119.2°	118.6°
C15	C16	C17	H16	119.3°	119.9°
C15	C16	S3	C19	165.5°	57.3°
C15	C16	C17	O18	56.3°	56.8°
C15	C16	C17	H171	63.7°	64.8°
C15	C16	C17	H172	175.9°	174.9°
H15	C15	O15	H9	117.4°	168.5°
H15	C15	C16	S3	55.5°	50.3°
H15	C15	C16	C17	65.9°	71.8°
H15	C15	C16	H16	174.5°	167.8°
S3	C16	C17	H16	119.0°	117.2°
S3	C16	C17	O18	178.0°	179.7°
S3	C16	C17	H171	58.0°	58.1°
S3	C16	C17	H172	62.4°	62.2°
C16	S3	C19	C20	90.0°	180.0°
C16	S3	C19	O24	90.0°	58.4°
C16	S3	C19	H19	90.0°	59.4°
C17	C16	S3	C19	44.3°	180.0°
C16	C17	O18	H171	120.0°	123.6°
C16	C17	O18	H172	119.6°	120.3°
C16	C17	H171	H172	119.6°	122.1°
H16	C16	S3	C19	75.3°	61.3°
H16	C16	C17	O18	63.0°	63.1°
H16	C16	C17	H171	177.0°	175.3°
H16	C16	C17	H172	56.6°	55.0°
S3	C19	C20	O24	90.0°	121.1°
S3	C19	C20	H19	90.0°	117.4°
S3	C19	O24	H19	90.0°	115.7°
S3	C19	C20	C21	90.0°	176.7°
S3	C19	C20	O20	90.0°	62.8°
S3	C19	C20	H20	90.0°	57.2°
S3	C19	O24	C23	90.0°	178.2°
O18	C17	H171	H172	119.6°	115.7°
C20	C19	O24	H19	90.0°	122.6°
C19	C20	C21	O21	90.0°	66.8°
C19	C20	C21	O20	90.0°	122.5°
C19	C20	C21	H20	90.0°	120.6°
C19	C20	C21	C22	90.0°	53.5°
C19	C20	C21	H21	90.0°	176.4°
C19	C20	O20	H20	90.0°	121.2°
C19	C20	O20	H8	90.0°	159.3°
C20	C19	O24	C23	90.0°	60.1°
O24	C19	C20	C21	90.0°	55.6°
O24	C19	C20	O20	90.0°	176.2°
O24	C19	C20	H20	90.0°	63.9°
C19	O24	C23	C22	90.0°	61.3°
C19	O24	C23	H231	90.0°	178.5°
C19	O24	C23	H232	90.0°	62.7°
H19	C19	C20	C21	90.0°	65.9°
H19	C19	C20	O20	90.0°	54.7°
H19	C19	C20	H20	90.0°	174.7°
H19	C19	O24	C23	90.0°	62.5°
O21	C21	C20	C22	90.0°	120.2°
O21	C21	C20	H21	90.0°	116.8°
O21	C21	C22	H21	90.0°	119.2°
O21	C21	C20	O20	90.0°	55.7°
O21	C21	C20	H20	90.0°	172.6°
O21	C21	C22	C23	90.0°	64.2°
O21	C21	C22	S4	90.0°	58.9°
O21	C21	C22	H22	90.0°	177.0°
C20	C21	C22	H21	90.0°	122.0°
C20	C21	O21	H6	90.0°	125.3°
C21	C20	O20	H20	90.0°	116.9°
C21	C20	O20	H8	90.0°	37.4°
C20	C21	C22	C23	90.0°	54.6°
C20	C21	C22	S4	90.0°	177.7°
C20	C21	C22	H22	90.0°	64.2°
C22	C21	O21	H6	90.0°	115.5°
C22	C21	C20	O20	90.0°	176.0°
C22	C21	C20	H20	90.0°	67.2°
C21	C22	C23	O24	90.0°	58.0°
C21	C22	C23	S4	90.0°	124.0°
C21	C22	C23	H22	90.0°	118.4°
C21	C22	C23	H231	90.0°	175.8°
C21	C22	C23	H232	90.0°	63.8°
C21	C22	S4	H22	90.0°	118.6°
C21	C22	S4	C25	90.0°	57.0°
H21	C21	O21	H6	90.0°	6.5°
H21	C21	C20	O20	90.0°	61.1°
H21	C21	C20	H20	90.0°	55.8°
H21	C21	C22	C23	90.0°	176.6°
H21	C21	C22	S4	90.0°	60.3°
H21	C21	C22	H22	90.0°	57.8°
H20	C20	O20	H8	90.0°	79.5°
O24	C23	C22	H231	90.0°	117.8°
O24	C23	C22	H232	90.0°	121.7°
O24	C23	H231	H232	90.0°	116.7°
O24	C23	C22	S4	90.0°	178.0°
O24	C23	C22	H22	90.0°	60.5°
C22	C23	H231	H232	90.0°	123.5°
C23	C22	S4	H22	90.0°	118.4°
C23	C22	S4	C25	90.0°	180.0°
H231	C23	C22	S4	90.0°	60.2°
H231	C23	C22	H22	90.0°	57.3°
H232	C23	C22	S4	90.0°	60.2°
H232	C23	C22	H22	90.0°	177.8°
C22	S4	C25	O30	90.0°	57.4°
C22	S4	C25	C26	90.0°	180.0°
C22	S4	C25	H25	90.0°	60.2°
H22	C22	S4	C25	90.0°	61.6°
S4	C25	O30	C26	90.0°	123.3°
S4	C25	O30	H25	90.0°	116.2°
S4	C25	C26	H25	90.0°	117.6°
S4	C25	O30	C29	90.0°	174.2°
S4	C25	C26	C27	90.0°	179.3°
S4	C25	C26	O26	90.0°	61.5°
S4	C25	C26	H26	90.0°	57.1°
O30	C25	C26	H25	90.0°	119.6°
C25	O30	C29	C28	90.0°	60.7°
C25	O30	C29	H291	90.0°	63.0°
C25	O30	C29	H292	90.0°	178.5°
O30	C25	C26	C27	90.0°	57.8°
O30	C25	C26	O26	90.0°	61.3°
O30	C25	C26	H26	90.0°	180.0°
C26	C25	O30	C29	90.0°	62.6°
C25	C26	C27	C28	90.0°	52.9°
C25	C26	C27	O27	90.0°	174.4°
C25	C26	C27	O26	90.0°	119.2°
C25	C26	C27	H26	90.0°	123.5°
C25	C26	C27	H27	90.0°	68.6°
C25	C26	O26	H26	90.0°	121.6°
C25	C26	O26	H5	90.0°	124.8°
H25	C25	O30	C29	90.0°	58.0°
H25	C25	C26	C27	90.0°	61.8°
H25	C25	C26	O26	90.0°	179.1°
H25	C25	C26	H26	90.0°	60.4°
O30	C29	C28	H291	90.0°	122.8°
O30	C29	C28	H292	90.0°	119.8°
O30	C29	H291	H292	90.0°	116.6°
O30	C29	C28	C27	90.0°	54.1°
O30	C29	C28	O28	90.0°	175.4°
O30	C29	C28	H28	90.0°	67.1°
C28	C29	H291	H292	90.0°	119.6°
C29	C28	C27	O28	90.0°	121.0°
C29	C28	C27	H28	90.0°	121.5°
C29	C28	O28	H28	90.0°	119.4°
C29	C28	C27	O27	90.0°	172.1°
C29	C28	C27	C26	90.0°	51.1°
C29	C28	C27	H27	90.0°	70.6°
C29	C28	O28	H2	90.0°	112.7°
H291	C29	C28	C27	90.0°	68.7°
H291	C29	C28	O28	90.0°	52.7°
H291	C29	C28	H28	90.0°	170.2°
H292	C29	C28	C27	90.0°	173.9°
H292	C29	C28	O28	90.0°	64.7°
H292	C29	C28	H28	90.0°	52.8°
C27	C28	O28	H28	90.0°	119.0°
C28	C27	O27	C26	90.0°	121.9°
C28	C27	O27	H27	90.0°	119.1°
C28	C27	C26	H27	90.0°	121.5°
C28	C27	O27	H3	90.0°	47.1°
C28	C27	C26	O26	90.0°	66.3°
C28	C27	C26	H26	90.0°	176.4°
C27	C28	O28	H2	90.0°	125.6°
O28	C28	C27	O27	90.0°	66.8°
O28	C28	C27	C26	90.0°	172.2°
O28	C28	C27	H27	90.0°	50.4°
H28	C28	C27	O27	90.0°	50.7°
H28	C28	C27	C26	90.0°	70.4°
H28	C28	C27	H27	90.0°	167.9°
H28	C28	O28	H2	90.0°	6.6°
O27	C27	C26	H27	90.0°	117.0°
O27	C27	C26	O26	90.0°	55.2°
O27	C27	C26	H26	90.0°	62.1°
C26	C27	O27	H3	90.0°	169.0°
C27	C26	O26	H26	90.0°	119.0°
C27	C26	O26	H5	90.0°	5.4°
H27	C27	O27	H3	90.0°	72.0°
H27	C27	C26	O26	90.0°	172.2°
H27	C27	C26	H26	90.0°	54.9°
H26	C26	O26	H5	90.0°	113.6°

Release date:	2020-07-29
Last modified:	2020-07-29
Processing site:	RCSB