PRD_900134

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.41Å
C1	O4	sing	1.43Å	1.41Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	N1	sing	1.47Å	1.45Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	O2	sing	1.43Å	1.41Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.54Å
C4	O3	sing	1.43Å	1.41Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.53Å
C5	O4	sing	1.43Å	1.42Å
C5	H5	sing	1.09Å	1.10Å
C6	O5	sing	1.43Å	1.41Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	C8	sing	1.51Å	1.50Å
C7	N1	sing	1.35Å	1.33Å
C7	O6	doub	1.21Å	1.23Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
N1	H11	sing	0.97Å	1.00Å
O1	H12	sing	0.97Å	0.95Å
O2	H13	sing	0.97Å	0.95Å
O5	H14	sing	0.97Å	0.95Å
C9	C10	sing	1.53Å	1.53Å
C9	O10	sing	1.43Å	1.41Å
C9	H15	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.54Å
C10	O7	sing	1.43Å	1.41Å
C10	H16	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.54Å
C11	O8	sing	1.43Å	1.41Å
C11	H17	sing	1.09Å	1.10Å
C12	C13	sing	1.53Å	1.54Å
C12	O9	sing	1.43Å	1.41Å
C12	H18	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.52Å
C13	O10	sing	1.43Å	1.41Å
C13	H19	sing	1.09Å	1.10Å
C14	O11	sing	1.43Å	1.41Å
C14	H20	sing	1.09Å	1.10Å
C14	H21	sing	1.09Å	1.10Å
O9	H22	sing	0.97Å	0.95Å
O11	H23	sing	0.97Å	0.95Å
C15	C16	sing	1.53Å	1.53Å
C15	O15	sing	1.43Å	1.42Å
C15	H24	sing	1.09Å	1.10Å
C16	C17	sing	1.53Å	1.53Å
C16	O12	sing	1.43Å	1.41Å
C16	H25	sing	1.09Å	1.10Å
C17	C18	sing	1.53Å	1.53Å
C17	O13	sing	1.43Å	1.41Å
C17	H26	sing	1.09Å	1.10Å
C18	C19	sing	1.53Å	1.53Å
C18	O14	sing	1.43Å	1.41Å
C18	H27	sing	1.09Å	1.10Å
C19	C20	sing	1.53Å	1.53Å
C19	O15	sing	1.43Å	1.42Å
C19	H28	sing	1.09Å	1.10Å
C20	H29	sing	1.09Å	1.10Å
C20	H30	sing	1.09Å	1.10Å
C20	H31	sing	1.09Å	1.10Å
O12	H32	sing	0.97Å	0.95Å
O13	H33	sing	0.97Å	0.95Å
O14	H34	sing	0.97Å	0.95Å
C21	C22	sing	1.53Å	1.53Å
C21	O19	sing	1.43Å	1.43Å
C21	H35	sing	1.09Å	1.10Å
C22	C23	sing	1.53Å	1.52Å
C22	O16	sing	1.43Å	1.41Å
C22	H36	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.52Å
C23	O17	sing	1.43Å	1.41Å
C23	H37	sing	1.09Å	1.10Å
C24	C25	sing	1.53Å	1.53Å
C24	O18	sing	1.43Å	1.41Å
C24	H38	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.53Å
C25	O19	sing	1.43Å	1.43Å
C25	H39	sing	1.09Å	1.10Å
C26	O20	sing	1.43Å	1.41Å
C26	H40	sing	1.09Å	1.10Å
C26	H41	sing	1.09Å	1.10Å
O16	H42	sing	0.97Å	0.95Å
O17	H43	sing	0.97Å	0.95Å
O18	H44	sing	0.97Å	0.95Å
O20	H45	sing	0.97Å	0.95Å
O3	C9	sing	1.43Å	1.44Å
O7	C15	sing	1.43Å	1.45Å
O8	C21	sing	1.43Å	1.45Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	110.0°	109.5°
C2	C1	O4	108.4°	109.4°
C2	C1	H1	108.7°	109.5°
C1	C2	C3	111.5°	109.2°
C1	C2	N1	110.2°	109.5°
C1	C2	H2	108.3°	109.5°
O1	C1	O4	109.0°	109.5°
O1	C1	H1	110.3°	109.5°
C1	O1	H12	109.5°	114.0°
O4	C1	H1	110.4°	109.5°
C1	O4	C5	115.2°	114.1°
C3	C2	N1	109.2°	109.5°
C3	C2	H2	108.2°	109.5°
C2	C3	C4	114.5°	109.1°
C2	C3	O2	109.5°	109.5°
C2	C3	H3	107.3°	109.5°
N1	C2	H2	109.3°	109.6°
C2	N1	C7	123.1°	119.9°
C2	N1	H11	118.4°	120.0°
C4	C3	O2	109.1°	109.6°
C4	C3	H3	107.4°	109.5°
C3	C4	C5	114.6°	109.2°
C3	C4	O3	106.2°	109.5°
C3	C4	H4	108.2°	109.5°
O2	C3	H3	108.9°	109.6°
C3	O2	H13	109.5°	114.0°
C5	C4	O3	109.9°	109.5°
C5	C4	H4	108.1°	109.5°
C4	C5	C6	110.7°	109.5°
C4	C5	O4	113.4°	109.4°
C4	C5	H5	107.8°	109.5°
O3	C4	H4	109.7°	109.6°
C4	O3	C9	112.3°	114.0°
C6	C5	O4	107.6°	109.5°
C6	C5	H5	107.9°	109.5°
C5	C6	O5	111.2°	109.4°
C5	C6	H6	109.0°	109.5°
C5	C6	H7	109.0°	109.5°
O4	C5	H5	109.4°	109.5°
O5	C6	H6	109.1°	109.5°
O5	C6	H7	109.0°	109.4°
C6	O5	H14	109.5°	114.0°
H6	C6	H7	109.5°	109.5°
C8	C7	N1	115.6°	120.0°
C8	C7	O6	120.6°	120.0°
C7	C8	H8	109.5°	109.5°
C7	C8	H9	109.5°	109.5°
C7	C8	H10	109.5°	109.5°
N1	C7	O6	123.8°	120.0°
C7	N1	H11	118.5°	120.1°
H8	C8	H9	109.4°	109.5°
H8	C8	H10	109.5°	109.4°
H9	C8	H10	109.5°	109.5°
C10	C9	O10	110.8°	109.4°
C10	C9	H15	106.7°	109.5°
C9	C10	C11	112.4°	109.1°
C9	C10	O7	106.7°	109.5°
C9	C10	H16	108.5°	109.6°
C10	C9	O3	108.7°	109.5°
O10	C9	H15	108.0°	109.5°
C9	O10	C13	110.5°	114.1°
O10	C9	O3	114.6°	109.5°
H15	C9	O3	107.7°	109.5°
C11	C10	O7	110.7°	109.5°
C11	C10	H16	108.4°	109.5°
C10	C11	C12	113.1°	109.1°
C10	C11	O8	106.2°	109.5°
C10	C11	H17	108.1°	109.6°
O7	C10	H16	110.1°	109.6°
C10	O7	C15	113.5°	114.0°
C12	C11	O8	111.5°	109.5°
C12	C11	H17	108.1°	109.5°
C11	C12	C13	112.1°	109.1°
C11	C12	O9	110.1°	109.6°
C11	C12	H18	107.4°	109.6°
O8	C11	H17	109.8°	109.6°
C11	O8	C21	117.5°	114.0°
C13	C12	O9	110.7°	109.5°
C13	C12	H18	107.4°	109.5°
C12	C13	C14	113.4°	109.5°
C12	C13	O10	109.7°	109.5°
C12	C13	H19	107.4°	109.5°
O9	C12	H18	108.9°	109.6°
C12	O9	H22	109.5°	114.0°
C14	C13	O10	109.7°	109.5°
C14	C13	H19	107.5°	109.5°
C13	C14	O11	109.0°	109.5°
C13	C14	H20	109.6°	109.5°
C13	C14	H21	109.6°	109.5°
O10	C13	H19	109.0°	109.5°
O11	C14	H20	109.6°	109.5°
O11	C14	H21	109.6°	109.4°
C14	O11	H23	109.5°	114.1°
H20	C14	H21	109.5°	109.5°
C16	C15	O15	110.4°	109.4°
C16	C15	H24	106.8°	109.5°
C15	C16	C17	110.2°	109.2°
C15	C16	O12	109.7°	109.6°
C15	C16	H25	108.6°	109.5°
C16	C15	O7	108.2°	109.5°
O15	C15	H24	108.1°	109.5°
C15	O15	C19	115.5°	114.1°
O15	C15	O7	115.3°	109.5°
H24	C15	O7	107.8°	109.5°
C17	C16	O12	109.3°	109.5°
C17	C16	H25	108.7°	109.5°
C16	C17	C18	110.2°	109.1°
C16	C17	O13	110.2°	109.6°
C16	C17	H26	108.0°	109.5°
O12	C16	H25	110.3°	109.6°
C16	O12	H32	109.5°	114.0°
C18	C17	O13	110.8°	109.6°
C18	C17	H26	108.0°	109.5°
C17	C18	C19	109.0°	109.2°
C17	C18	O14	110.0°	109.5°
C17	C18	H27	108.6°	109.5°
O13	C17	H26	109.6°	109.6°
C17	O13	H33	109.5°	114.0°
C19	C18	O14	110.3°	109.5°
C19	C18	H27	108.6°	109.6°
C18	C19	C20	112.5°	109.5°
C18	C19	O15	110.5°	109.4°
C18	C19	H28	107.3°	109.5°
O14	C18	H27	110.2°	109.5°
C18	O14	H34	109.5°	114.0°
C20	C19	O15	110.4°	109.5°
C20	C19	H28	107.3°	109.5°
C19	C20	H29	109.5°	109.5°
C19	C20	H30	109.5°	109.5°
C19	C20	H31	109.5°	109.5°
O15	C19	H28	108.6°	109.5°
H29	C20	H30	109.5°	109.5°
H29	C20	H31	109.5°	109.4°
H30	C20	H31	109.5°	109.5°
C22	C21	O19	111.2°	109.4°
C22	C21	H35	105.7°	109.5°
C21	C22	C23	110.1°	109.2°
C21	C22	O16	110.4°	109.5°
C21	C22	H36	108.4°	109.5°
C22	C21	O8	107.6°	109.5°
O19	C21	H35	106.8°	109.5°
C21	O19	C25	118.5°	114.1°
O19	C21	O8	118.2°	109.5°
H35	C21	O8	106.5°	109.5°
C23	C22	O16	109.3°	109.5°
C23	C22	H36	108.5°	109.5°
C22	C23	C24	110.1°	109.0°
C22	C23	O17	109.8°	109.6°
C22	C23	H37	108.3°	109.5°
O16	C22	H36	110.1°	109.6°
C22	O16	H42	109.5°	114.0°
C24	C23	O17	110.3°	109.5°
C24	C23	H37	108.3°	109.6°
C23	C24	C25	109.8°	109.1°
C23	C24	O18	109.9°	109.5°
C23	C24	H38	108.4°	109.5°
O17	C23	H37	110.0°	109.6°
C23	O17	H43	109.5°	114.0°
C25	C24	O18	110.3°	109.5°
C25	C24	H38	108.4°	109.5°
C24	C25	C26	110.5°	109.4°
C24	C25	O19	112.2°	109.4°
C24	C25	H39	107.4°	109.5°
O18	C24	H38	110.0°	109.6°
C24	O18	H44	109.5°	114.0°
C26	C25	O19	110.3°	109.5°
C26	C25	H39	107.4°	109.5°
C25	C26	O20	110.3°	109.4°
C25	C26	H40	109.3°	109.5°
C25	C26	H41	109.3°	109.5°
O19	C25	H39	108.8°	109.5°
O20	C26	H40	109.2°	109.4°
O20	C26	H41	109.2°	109.5°
C26	O20	H45	109.5°	114.0°
H40	C26	H41	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O4	118.7°	119.9°
C2	C1	O1	H1	120.0°	120.0°
C2	C1	O4	H1	118.9°	120.0°
C1	C2	C3	N1	122.0°	119.9°
C1	C2	C3	H2	119.1°	119.9°
C1	C2	N1	H2	118.9°	120.2°
C1	C2	C3	C4	42.2°	57.0°
C1	C2	C3	O2	165.1°	176.9°
C1	C2	C3	H3	76.9°	62.9°
C2	C1	O4	C5	66.0°	61.2°
C1	C2	N1	C7	144.3°	85.0°
C1	C2	N1	H11	35.7°	95.0°
C2	C1	O1	H12	180.0°	180.0°
O1	C1	O4	H1	121.3°	120.0°
O1	C1	C2	C3	176.8°	177.6°
O1	C1	C2	N1	61.7°	62.5°
O1	C1	C2	H2	57.8°	57.7°
O1	C1	O4	C5	174.2°	178.9°
O4	C1	C2	C3	57.7°	57.6°
O4	C1	C2	N1	179.2°	177.5°
O4	C1	C2	H2	61.3°	62.3°
C1	O4	C5	C4	54.9°	61.2°
C1	O4	C5	C6	177.7°	178.9°
C1	O4	C5	H5	65.3°	58.8°
O4	C1	O1	H12	61.3°	60.1°
H1	C1	C2	C3	62.3°	62.4°
H1	C1	C2	N1	59.2°	57.5°
H1	C1	C2	H2	178.7°	177.7°
H1	C1	O4	C5	52.9°	58.8°
H1	C1	O1	H12	60.0°	59.9°
C3	C2	N1	H2	118.2°	120.1°
C2	C3	C4	O2	123.1°	119.9°
C2	C3	C4	H3	119.1°	119.8°
C2	C3	O2	H3	117.1°	120.2°
C2	C3	C4	C5	31.1°	57.0°
C2	C3	C4	O3	152.7°	176.9°
C2	C3	C4	H4	89.6°	62.9°
C3	C2	N1	C7	92.9°	155.3°
C3	C2	N1	H11	87.1°	24.7°
C2	C3	O2	H13	180.0°	60.0°
N1	C2	C3	C4	164.3°	176.9°
N1	C2	C3	O2	72.9°	63.2°
N1	C2	C3	H3	45.2°	57.0°
C2	N1	C7	C8	180.0°	180.0°
C2	N1	C7	H11	180.0°	180.0°
C2	N1	C7	O6	0.0°	0.0°
H2	C2	C3	C4	76.8°	62.9°
H2	C2	C3	O2	46.0°	57.0°
H2	C2	C3	H3	164.1°	177.2°
H2	C2	N1	C7	25.4°	35.2°
H2	C2	N1	H11	154.6°	144.8°
C4	C3	O2	H3	116.9°	120.2°
C3	C4	C5	O3	119.5°	119.9°
C3	C4	C5	H4	120.7°	119.9°
C3	C4	O3	H4	116.7°	120.1°
C3	C4	C5	C6	156.5°	177.6°
C3	C4	C5	O4	35.5°	57.6°
C3	C4	C5	H5	85.7°	62.4°
C4	C3	O2	H13	54.0°	179.6°
C3	C4	O3	C9	134.7°	134.7°
O2	C3	C4	C5	154.2°	176.9°
O2	C3	C4	O3	84.2°	63.2°
O2	C3	C4	H4	33.5°	57.0°
H3	C3	C4	C5	88.0°	62.9°
H3	C3	C4	O3	33.6°	57.0°
H3	C3	C4	H4	151.4°	177.2°
H3	C3	O2	H13	62.9°	60.2°
C5	C4	O3	H4	118.8°	120.2°
C4	C5	C6	O4	124.4°	119.9°
C4	C5	C6	H5	117.7°	120.0°
C4	C5	O4	H5	120.3°	120.0°
C4	C5	C6	O5	71.0°	174.0°
C4	C5	C6	H6	168.7°	54.0°
C4	C5	C6	H7	49.2°	66.0°
C5	C4	O3	C9	100.8°	105.6°
O3	C4	C5	C6	84.0°	62.5°
O3	C4	C5	O4	155.0°	177.5°
O3	C4	C5	H5	33.8°	57.5°
C4	O3	C9	C10	164.4°	169.6°
C4	O3	C9	O10	71.1°	70.4°
C4	O3	C9	H15	49.2°	49.6°
H4	C4	C5	C6	35.8°	57.7°
H4	C4	C5	O4	85.3°	62.3°
H4	C4	C5	H5	153.6°	177.8°
H4	C4	O3	C9	18.0°	14.6°
C6	C5	O4	H5	117.0°	120.1°
C5	C6	O5	H6	120.3°	120.0°
C5	C6	O5	H7	120.3°	120.0°
C5	C6	H6	H7	119.2°	120.1°
C5	C6	O5	H14	180.0°	179.9°
O4	C5	C6	O5	53.4°	66.1°
O4	C5	C6	H6	66.9°	174.0°
O4	C5	C6	H7	173.6°	53.9°
H5	C5	C6	O5	171.3°	54.0°
H5	C5	C6	H6	51.0°	66.0°
H5	C5	C6	H7	68.4°	174.0°
O5	C6	H6	H7	119.2°	120.0°
H6	C6	O5	H14	59.8°	60.0°
H7	C6	O5	H14	59.7°	60.1°
C8	C7	N1	O6	180.0°	180.0°
C7	C8	H8	H9	120.0°	120.0°
C7	C8	H8	H10	120.0°	120.0°
C7	C8	H9	H10	120.0°	120.0°
C8	C7	N1	H11	0.0°	0.0°
N1	C7	C8	H8	179.9°	90.0°
N1	C7	C8	H9	59.9°	150.0°
N1	C7	C8	H10	60.1°	30.0°
O6	C7	C8	H8	0.0°	90.0°
O6	C7	C8	H9	120.0°	30.0°
O6	C7	C8	H10	120.0°	150.0°
O6	C7	N1	H11	179.9°	180.0°
H8	C8	H9	H10	120.0°	119.9°
C10	C9	O10	H15	116.5°	120.0°
C10	C9	O10	O3	123.4°	120.0°
C10	C9	H15	O3	116.6°	120.0°
C9	C10	C11	O7	119.2°	119.9°
C9	C10	C11	H16	120.0°	120.0°
C9	C10	O7	H16	117.6°	120.2°
C9	C10	C11	C12	38.6°	57.0°
C9	C10	C11	O8	161.2°	176.9°
C9	C10	C11	H17	81.1°	62.9°
C10	C9	O10	C13	67.2°	61.1°
C9	C10	O7	C15	135.7°	142.9°
O10	C9	H15	O3	124.3°	120.0°
O10	C9	C10	C11	51.3°	57.6°
O10	C9	C10	O7	172.8°	177.5°
O10	C9	C10	H16	68.6°	62.3°
C9	O10	C13	C12	67.9°	61.1°
C9	O10	C13	C14	167.0°	178.9°
C9	O10	C13	H19	49.5°	58.9°
H15	C9	C10	C11	66.0°	62.4°
H15	C9	C10	O7	55.4°	57.5°
H15	C9	C10	H16	174.0°	177.7°
H15	C9	O10	C13	49.4°	58.9°
C11	C10	O7	H16	119.8°	120.1°
C10	C11	C12	O8	119.6°	119.8°
C10	C11	C12	H17	119.7°	119.9°
C10	C11	O8	H17	116.6°	120.3°
C10	C11	C12	C13	39.7°	57.0°
C10	C11	C12	O9	84.1°	62.9°
C10	C11	C12	H18	157.4°	176.9°
C11	C10	C9	O3	178.1°	177.6°
C11	C10	O7	C15	101.7°	97.4°
C10	C11	O8	C21	158.6°	160.0°
O7	C10	C11	C12	157.8°	176.9°
O7	C10	C11	O8	79.6°	63.3°
O7	C10	C11	H17	38.1°	57.0°
C10	O7	C15	C16	162.7°	176.0°
C10	O7	C15	O15	73.2°	64.0°
C10	O7	C15	H24	47.6°	55.9°
O7	C10	C9	O3	60.4°	62.5°
H16	C10	C11	C12	81.4°	62.9°
H16	C10	C11	O8	41.2°	56.9°
H16	C10	C11	H17	158.9°	177.2°
H16	C10	C9	O3	58.2°	57.7°
H16	C10	O7	C15	18.1°	22.7°
C12	C11	O8	H17	119.8°	120.2°
C11	C12	C13	O9	123.4°	119.9°
C11	C12	C13	H18	117.7°	119.9°
C11	C12	O9	H18	117.5°	120.2°
C11	C12	C13	C14	176.3°	177.6°
C11	C12	C13	O10	53.3°	57.6°
C11	C12	C13	H19	65.1°	62.4°
C11	C12	O9	H22	180.0°	180.0°
C12	C11	O8	C21	77.8°	80.5°
O8	C11	C12	C13	159.2°	176.8°
O8	C11	C12	O9	35.5°	57.0°
O8	C11	C12	H18	83.0°	63.3°
C11	O8	C21	C22	171.8°	175.4°
C11	O8	C21	O19	44.9°	64.7°
C11	O8	C21	H35	75.2°	55.4°
H17	C11	C12	C13	80.0°	62.9°
H17	C11	C12	O9	156.2°	177.2°
H17	C11	C12	H18	37.8°	57.0°
H17	C11	O8	C21	42.0°	39.7°
C13	C12	O9	H18	117.9°	120.1°
C12	C13	C14	O10	123.0°	120.0°
C12	C13	C14	H19	118.6°	120.0°
C12	C13	O10	H19	117.4°	120.0°
C12	C13	C14	O11	170.7°	175.0°
C12	C13	C14	H20	50.8°	55.0°
C12	C13	C14	H21	69.4°	65.0°
C13	C12	O9	H22	55.4°	60.3°
O9	C12	C13	C14	52.8°	57.7°
O9	C12	C13	O10	70.1°	62.3°
O9	C12	C13	H19	171.5°	177.7°
H18	C12	C13	C14	66.0°	62.5°
H18	C12	C13	O10	171.0°	177.5°
H18	C12	C13	H19	52.7°	57.5°
H18	C12	O9	H22	62.5°	59.8°
C14	C13	O10	H19	117.5°	120.0°
C13	C14	O11	H20	119.9°	120.0°
C13	C14	O11	H21	119.9°	120.0°
C13	C14	H20	H21	120.2°	120.0°
C13	C14	O11	H23	180.0°	180.0°
O10	C13	C14	O11	66.3°	65.0°
O10	C13	C14	H20	173.8°	175.0°
O10	C13	C14	H21	53.6°	55.0°
C13	O10	C9	O3	169.4°	178.9°
H19	C13	C14	O11	52.1°	54.9°
H19	C13	C14	H20	67.8°	65.1°
H19	C13	C14	H21	172.0°	174.9°
O11	C14	H20	H21	120.2°	120.0°
H20	C14	O11	H23	60.1°	60.0°
H21	C14	O11	H23	60.1°	59.9°
C16	C15	O15	H24	116.4°	120.0°
C16	C15	O15	O7	122.9°	120.1°
C16	C15	H24	O7	116.0°	120.1°
C15	C16	C17	O12	120.6°	119.9°
C15	C16	C17	H25	118.9°	119.9°
C15	C16	O12	H25	119.6°	120.2°
C15	C16	C17	C18	55.0°	56.9°
C15	C16	C17	O13	177.6°	176.9°
C15	C16	C17	H26	62.8°	62.9°
C16	C15	O15	C19	57.4°	61.2°
C15	C16	O12	H32	180.0°	67.2°
O15	C15	H24	O7	125.3°	120.0°
O15	C15	C16	C17	54.0°	57.6°
O15	C15	C16	O12	174.4°	177.5°
O15	C15	C16	H25	64.9°	62.2°
C15	O15	C19	C18	58.9°	61.1°
C15	O15	C19	C20	176.0°	178.9°
C15	O15	C19	H28	58.6°	58.8°
H24	C15	C16	C17	171.2°	177.6°
H24	C15	C16	O12	68.3°	62.5°
H24	C15	C16	H25	52.3°	57.7°
H24	C15	O15	C19	173.9°	178.9°
C17	C16	O12	H25	119.4°	120.1°
C16	C17	C18	O13	122.2°	119.9°
C16	C17	C18	H26	117.8°	119.8°
C16	C17	O13	H26	118.7°	120.2°
C16	C17	C18	C19	55.6°	56.9°
C16	C17	C18	O14	65.5°	63.0°
C16	C17	C18	H27	173.8°	176.9°
C17	C16	O12	H32	59.0°	173.1°
C16	C17	O13	H33	180.0°	60.0°
C17	C16	C15	O7	73.0°	62.4°
O12	C16	C17	C18	175.6°	176.9°
O12	C16	C17	O13	61.8°	63.2°
O12	C16	C17	H26	57.9°	57.0°
O12	C16	C15	O7	47.4°	57.5°
H25	C16	C17	C18	63.9°	62.9°
H25	C16	C17	O13	58.7°	57.0°
H25	C16	C17	H26	178.3°	177.2°
H25	C16	O12	H32	60.4°	53.0°
H25	C16	C15	O7	168.0°	177.7°
C18	C17	O13	H26	119.1°	120.2°
C17	C18	C19	O14	120.9°	119.9°
C17	C18	C19	H27	118.2°	119.9°
C17	C18	O14	H27	119.7°	120.1°
C17	C18	C19	C20	180.0°	177.5°
C17	C18	C19	O15	56.1°	57.6°
C17	C18	C19	H28	62.2°	62.4°
C18	C17	O13	H33	57.8°	179.6°
C17	C18	O14	H34	180.0°	180.0°
O13	C17	C18	C19	177.8°	176.9°
O13	C17	C18	O14	56.7°	57.0°
O13	C17	C18	H27	64.0°	63.2°
H26	C17	C18	C19	62.1°	62.9°
H26	C17	C18	O14	176.8°	177.2°
H26	C17	C18	H27	56.1°	57.1°
H26	C17	O13	H33	61.4°	60.2°
C19	C18	O14	H27	120.0°	120.2°
C18	C19	C20	O15	124.0°	119.9°
C18	C19	C20	H28	117.8°	120.0°
C18	C19	O15	H28	117.4°	119.9°
C18	C19	C20	H29	180.0°	63.7°
C18	C19	C20	H30	60.0°	176.3°
C18	C19	C20	H31	60.0°	56.3°
C19	C18	O14	H34	59.7°	60.3°
O14	C18	C19	C20	59.2°	57.7°
O14	C18	C19	O15	64.7°	62.3°
O14	C18	C19	H28	177.0°	177.8°
H27	C18	C19	C20	61.7°	62.5°
H27	C18	C19	O15	174.3°	177.5°
H27	C18	C19	H28	56.0°	57.6°
H27	C18	O14	H34	60.3°	59.9°
C20	C19	O15	H28	117.4°	120.1°
C19	C20	H29	H30	120.0°	120.0°
C19	C20	H29	H31	120.0°	120.0°
C19	C20	H30	H31	120.0°	120.1°
O15	C19	C20	H29	56.0°	176.4°
O15	C19	C20	H30	64.0°	56.4°
O15	C19	C20	H31	176.0°	63.6°
C19	O15	C15	O7	65.5°	58.9°
H28	C19	C20	H29	62.2°	56.4°
H28	C19	C20	H30	177.8°	63.6°
H28	C19	C20	H31	57.8°	176.3°
H29	C20	H30	H31	120.0°	119.9°
C22	C21	O19	H35	114.9°	120.0°
C22	C21	O19	O8	125.2°	119.9°
C22	C21	H35	O8	114.3°	120.0°
C21	C22	C23	O16	121.4°	119.9°
C21	C22	C23	H36	118.5°	119.9°
C21	C22	O16	H36	119.7°	120.2°
C21	C22	C23	C24	57.3°	57.0°
C21	C22	C23	O17	178.9°	176.9°
C21	C22	C23	H37	61.0°	62.9°
C22	C21	O19	C25	50.4°	61.2°
C21	C22	O16	H42	180.0°	60.0°
O19	C21	H35	O8	127.2°	120.0°
O19	C21	C22	C23	52.3°	57.6°
O19	C21	C22	O16	173.0°	177.5°
O19	C21	C22	H36	66.3°	62.3°
C21	O19	C25	C24	50.3°	61.2°
C21	O19	C25	C26	174.0°	178.9°
C21	O19	C25	H39	68.4°	58.8°
H35	C21	C22	C23	167.8°	177.6°
H35	C21	C22	O16	71.4°	62.5°
H35	C21	C22	H36	49.2°	57.7°
H35	C21	O19	C25	165.2°	178.8°
C23	C22	O16	H36	119.1°	120.2°
C22	C23	C24	O17	121.3°	119.9°
C22	C23	C24	H37	118.3°	119.8°
C22	C23	O17	H37	119.1°	120.2°
C22	C23	C24	C25	56.5°	57.0°
C22	C23	C24	O18	65.0°	62.9°
C22	C23	C24	H38	174.8°	176.8°
C23	C22	O16	H42	58.8°	179.7°
C22	C23	O17	H43	180.0°	60.0°
C23	C22	C21	O8	78.6°	62.3°
O16	C22	C23	C24	178.7°	176.9°
O16	C22	C23	O17	59.7°	63.2°
O16	C22	C23	H37	60.4°	57.0°
O16	C22	C21	O8	42.1°	57.5°
H36	C22	C23	C24	61.2°	62.9°
H36	C22	C23	O17	60.4°	56.9°
H36	C22	C23	H37	179.5°	177.2°
H36	C22	O16	H42	60.3°	60.2°
H36	C22	C21	O8	162.8°	177.7°
C24	C23	O17	H37	119.4°	120.2°
C23	C24	C25	O18	121.3°	119.9°
C23	C24	C25	H38	118.3°	119.9°
C23	C24	O18	H38	119.3°	120.2°
C23	C24	C25	C26	175.1°	177.6°
C23	C24	C25	O19	51.5°	57.6°
C23	C24	C25	H39	68.0°	62.4°
C24	C23	O17	H43	58.5°	179.6°
C23	C24	O18	H44	180.0°	60.0°
O17	C23	C24	C25	177.9°	176.9°
O17	C23	C24	O18	56.4°	57.0°
O17	C23	C24	H38	63.9°	63.2°
H37	C23	C24	C25	61.7°	62.9°
H37	C23	C24	O18	176.8°	177.2°
H37	C23	C24	H38	56.5°	57.0°
H37	C23	O17	H43	60.9°	60.2°
C25	C24	O18	H38	119.5°	120.2°
C24	C25	C26	O19	124.7°	119.9°
C24	C25	C26	H39	116.9°	120.0°
C24	C25	O19	H39	118.7°	120.1°
C24	C25	C26	O20	171.0°	175.2°
C24	C25	C26	H40	68.9°	55.2°
C24	C25	C26	H41	50.9°	64.9°
C25	C24	O18	H44	58.8°	179.6°
O18	C24	C25	C26	53.8°	57.7°
O18	C24	C25	O19	69.7°	62.2°
O18	C24	C25	H39	170.8°	177.7°
H38	C24	C25	C26	66.6°	62.6°
H38	C24	C25	O19	169.8°	177.5°
H38	C24	C25	H39	50.3°	57.4°
H38	C24	O18	H44	60.7°	60.2°
C26	C25	O19	H39	117.6°	120.0°
C25	C26	O20	H40	120.1°	120.0°
C25	C26	O20	H41	120.1°	120.0°
C25	C26	H40	H41	119.7°	120.1°
C25	C26	O20	H45	180.0°	180.0°
O19	C25	C26	O20	46.4°	64.9°
O19	C25	C26	H40	166.5°	175.1°
O19	C25	C26	H41	73.7°	55.1°
C25	O19	C21	O8	74.8°	58.8°
H39	C25	C26	O20	72.0°	55.1°
H39	C25	C26	H40	48.1°	64.8°
H39	C25	C26	H41	167.9°	175.1°
O20	C26	H40	H41	119.6°	120.0°
H40	C26	O20	H45	59.9°	60.0°
H41	C26	O20	H45	59.9°	60.0°

Release date:	2021-02-17
Last modified:	2021-02-17
Processing site:	RCSB