PRD_002353

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	O1	sing	1.43Å	1.38Å
C1	O4	sing	1.43Å	1.40Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.56Å
C2	N1	sing	1.47Å	1.46Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.54Å
C3	O2	sing	1.43Å	1.39Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.57Å
C4	O3	sing	1.43Å	1.41Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.51Å
C5	O4	sing	1.43Å	1.43Å
C5	H5	sing	1.09Å	1.10Å
C6	O5	sing	1.43Å	1.39Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	C8	sing	1.51Å	1.53Å
C7	N1	sing	1.35Å	1.40Å
C7	O6	doub	1.21Å	1.21Å
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
O3	H13	sing	0.97Å	0.95Å
O5	H14	sing	0.97Å	0.95Å
C9	C10	sing	1.53Å	1.56Å
C9	O10	sing	1.43Å	1.40Å
C9	H15	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.54Å
C10	O7	sing	1.43Å	1.42Å
C10	H16	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.57Å
C11	O8	sing	1.43Å	1.39Å
C11	H17	sing	1.09Å	1.10Å
C12	C13	sing	1.53Å	1.55Å
C12	O9	sing	1.43Å	1.41Å
C12	H18	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.50Å
C13	O10	sing	1.43Å	1.42Å
C13	H19	sing	1.09Å	1.10Å
C14	O11	sing	1.43Å	1.42Å
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	1.54Å
C15	O15	sing	1.43Å	1.44Å
C15	H24	sing	1.09Å	1.10Å
C16	C17	sing	1.53Å	1.57Å
C16	O12	sing	1.43Å	1.38Å
C16	H25	sing	1.09Å	1.10Å
C17	C18	sing	1.53Å	1.53Å
C17	O13	sing	1.43Å	1.39Å
C17	H26	sing	1.09Å	1.10Å
C18	C19	sing	1.53Å	1.57Å
C18	O14	sing	1.43Å	1.40Å
C18	H27	sing	1.09Å	1.10Å
C19	C20	sing	1.53Å	1.51Å
C19	O15	sing	1.43Å	1.43Å
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	1.54Å
C22	O16	sing	1.43Å	1.39Å
C22	H36	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.57Å
C23	O17	sing	1.43Å	1.41Å
C23	H37	sing	1.09Å	1.10Å
C24	C25	sing	1.53Å	1.54Å
C24	O18	sing	1.43Å	1.39Å
C24	H38	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.55Å
C25	O19	sing	1.43Å	1.41Å
C25	H39	sing	1.09Å	1.10Å
C26	O20	sing	1.43Å	1.40Å
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
O2	C9	sing	1.43Å	1.39Å
O7	C15	sing	1.43Å	1.41Å
O8	C21	sing	1.43Å	1.42Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	105.3°	109.5°
C2	C1	O4	108.3°	109.4°
C2	C1	H1	110.7°	109.4°
C1	C2	C3	107.5°	109.1°
C1	C2	N1	107.6°	109.5°
C1	C2	H2	109.3°	109.5°
O1	C1	O4	105.9°	109.5°
O1	C1	H1	113.3°	109.4°
C1	O1	H12	109.5°	114.0°
O4	C1	H1	113.0°	109.5°
C1	O4	C5	110.0°	114.1°
C3	C2	N1	112.6°	109.6°
C3	C2	H2	109.2°	109.5°
C2	C3	C4	106.5°	109.1°
C2	C3	O2	108.9°	109.5°
C2	C3	H3	110.1°	109.5°
N1	C2	H2	110.6°	109.6°
C2	N1	C7	121.4°	120.0°
C2	N1	H11	119.3°	120.0°
C4	C3	O2	108.4°	109.6°
C4	C3	H3	110.2°	109.6°
C3	C4	C5	106.9°	109.2°
C3	C4	O3	109.5°	109.5°
C3	C4	H4	109.7°	109.5°
O2	C3	H3	112.6°	109.6°
C3	O2	C9	115.7°	114.0°
C5	C4	O3	109.6°	109.5°
C5	C4	H4	109.4°	109.5°
C4	C5	C6	110.2°	109.5°
C4	C5	O4	108.5°	109.4°
C4	C5	H5	109.1°	109.5°
O3	C4	H4	111.6°	109.6°
C4	O3	H13	109.5°	114.0°
C6	C5	O4	108.1°	109.5°
C6	C5	H5	109.8°	109.5°
C5	C6	O5	108.6°	109.5°
C5	C6	H6	109.7°	109.5°
C5	C6	H7	109.7°	109.5°
O4	C5	H5	111.0°	109.5°
O5	C6	H6	109.6°	109.4°
O5	C6	H7	109.7°	109.5°
C6	O5	H14	109.5°	114.0°
H6	C6	H7	109.4°	109.5°
C8	C7	N1	119.5°	120.0°
C8	C7	O6	118.7°	120.0°
C7	C8	H8	109.5°	109.5°
C7	C8	H9	109.4°	109.5°
C7	C8	H10	109.4°	109.5°
N1	C7	O6	121.8°	120.0°
C7	N1	H11	119.3°	120.1°
H8	C8	H9	109.5°	109.5°
H8	C8	H10	109.5°	109.5°
H9	C8	H10	109.5°	109.5°
C10	C9	O10	110.1°	109.4°
C10	C9	H15	109.7°	109.4°
C9	C10	C11	107.8°	109.2°
C9	C10	O7	106.0°	109.5°
C9	C10	H16	110.2°	109.5°
C10	C9	O2	106.8°	109.5°
O10	C9	H15	112.0°	109.5°
C9	O10	C13	111.9°	114.1°
O10	C9	O2	105.7°	109.5°
H15	C9	O2	112.3°	109.4°
C11	C10	O7	110.2°	109.6°
C11	C10	H16	110.3°	109.5°
C10	C11	C12	110.6°	109.1°
C10	C11	O8	106.4°	109.5°
C10	C11	H17	108.3°	109.6°
O7	C10	H16	112.2°	109.5°
C10	O7	C15	115.4°	114.0°
C12	C11	O8	113.1°	109.5°
C12	C11	H17	108.0°	109.6°
C11	C12	C13	108.1°	109.1°
C11	C12	O9	110.2°	109.5°
C11	C12	H18	108.3°	109.5°
O8	C11	H17	110.4°	109.6°
C11	O8	C21	115.5°	114.0°
C13	C12	O9	111.2°	109.5°
C13	C12	H18	108.5°	109.6°
C12	C13	C14	110.9°	109.4°
C12	C13	O10	107.8°	109.4°
C12	C13	H19	109.4°	109.5°
O9	C12	H18	110.5°	109.6°
C12	O9	H22	109.5°	114.0°
C14	C13	O10	107.4°	109.5°
C14	C13	H19	110.1°	109.5°
C13	C14	O11	109.0°	109.4°
C13	C14	H20	109.6°	109.5°
C13	C14	H21	109.6°	109.5°
O10	C13	H19	111.2°	109.5°
O11	C14	H20	109.6°	109.5°
O11	C14	H21	109.6°	109.4°
C14	O11	H23	109.5°	114.0°
H20	C14	H21	109.5°	109.5°
C16	C15	O15	109.5°	109.5°
C16	C15	H24	108.2°	109.5°
C15	C16	C17	110.0°	109.2°
C15	C16	O12	107.0°	109.6°
C15	C16	H25	110.2°	109.5°
C16	C15	O7	110.9°	109.4°
O15	C15	H24	109.5°	109.5°
C15	O15	C19	115.3°	114.1°
O15	C15	O7	108.7°	109.5°
H24	C15	O7	110.0°	109.4°
C17	C16	O12	107.1°	109.5°
C17	C16	H25	109.8°	109.5°
C16	C17	C18	107.5°	109.0°
C16	C17	O13	108.3°	109.6°
C16	C17	H26	109.3°	109.5°
O12	C16	H25	112.7°	109.6°
C16	O12	H32	109.5°	114.0°
C18	C17	O13	109.9°	109.6°
C18	C17	H26	109.8°	109.5°
C17	C18	C19	109.3°	109.2°
C17	C18	O14	112.1°	109.5°
C17	C18	H27	108.1°	109.5°
O13	C17	H26	112.0°	109.7°
C17	O13	H33	109.5°	114.0°
C19	C18	O14	109.7°	109.5°
C19	C18	H27	107.7°	109.6°
C18	C19	C20	114.0°	109.5°
C18	C19	O15	110.5°	109.5°
C18	C19	H28	106.5°	109.5°
O14	C18	H27	109.9°	109.6°
C18	O14	H34	109.5°	114.0°
C20	C19	O15	110.3°	109.5°
C20	C19	H28	107.1°	109.4°
C19	C20	H29	109.5°	109.5°
C19	C20	H30	109.5°	109.5°
C19	C20	H31	109.4°	109.5°
O15	C19	H28	108.2°	109.5°
H29	C20	H30	109.5°	109.5°
H29	C20	H31	109.5°	109.5°
H30	C20	H31	109.4°	109.5°
C22	C21	O19	110.6°	109.5°
C22	C21	H35	107.7°	109.5°
C21	C22	C23	108.5°	109.2°
C21	C22	O16	107.0°	109.5°
C21	C22	H36	109.3°	109.5°
C22	C21	O8	111.4°	109.5°
O19	C21	H35	108.9°	109.5°
C21	O19	C25	115.2°	114.1°
O19	C21	O8	109.2°	109.5°
H35	C21	O8	109.1°	109.5°
C23	C22	O16	111.5°	109.5°
C23	C22	H36	109.1°	109.5°
C22	C23	C24	108.9°	109.0°
C22	C23	O17	108.6°	109.6°
C22	C23	H37	109.2°	109.5°
O16	C22	H36	111.3°	109.6°
C22	O16	H42	109.5°	114.0°
C24	C23	O17	109.9°	109.6°
C24	C23	H37	108.9°	109.5°
C23	C24	C25	108.6°	109.2°
C23	C24	O18	110.6°	109.5°
C23	C24	H38	108.6°	109.6°
O17	C23	H37	111.2°	109.6°
C23	O17	H43	109.5°	114.0°
C25	C24	O18	108.9°	109.5°
C25	C24	H38	108.9°	109.5°
C24	C25	C26	112.1°	109.5°
C24	C25	O19	111.2°	109.4°
C24	C25	H39	107.1°	109.5°
O18	C24	H38	111.1°	109.5°
C24	O18	H44	109.5°	114.0°
C26	C25	O19	110.2°	109.5°
C26	C25	H39	107.1°	109.5°
C25	C26	O20	110.5°	109.5°
C25	C26	H40	109.2°	109.4°
C25	C26	H41	109.2°	109.4°
O19	C25	H39	108.8°	109.5°
O20	C26	H40	109.2°	109.5°
O20	C26	H41	109.2°	109.4°
C26	O20	H45	109.5°	114.0°
H40	C26	H41	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O4	114.6°	120.0°
C2	C1	O1	H1	121.0°	119.9°
C2	C1	O4	H1	123.0°	120.0°
C1	C2	C3	N1	118.3°	119.9°
C1	C2	C3	H2	118.5°	119.8°
C1	C2	N1	H2	119.3°	120.1°
C1	C2	C3	C4	60.0°	57.0°
C1	C2	C3	O2	176.6°	176.9°
C1	C2	C3	H3	59.5°	62.9°
C2	C1	O4	C5	68.2°	61.2°
C1	C2	N1	C7	96.9°	89.9°
C1	C2	N1	H11	83.1°	90.2°
C2	C1	O1	H12	180.0°	180.0°
O1	C1	O4	H1	124.5°	120.0°
O1	C1	C2	C3	176.9°	177.6°
O1	C1	C2	N1	61.5°	62.5°
O1	C1	C2	H2	58.6°	57.7°
O1	C1	O4	C5	179.3°	178.8°
O4	C1	C2	C3	64.1°	57.6°
O4	C1	C2	N1	174.4°	177.5°
O4	C1	C2	H2	54.3°	62.3°
C1	O4	C5	C4	67.5°	61.1°
C1	O4	C5	C6	173.0°	178.9°
C1	O4	C5	H5	52.4°	58.8°
O4	C1	O1	H12	65.4°	60.0°
H1	C1	C2	C3	60.3°	62.4°
H1	C1	C2	N1	61.2°	57.5°
H1	C1	C2	H2	178.7°	177.7°
H1	C1	O4	C5	54.8°	58.8°
H1	C1	O1	H12	59.0°	60.1°
C3	C2	N1	H2	122.5°	120.2°
C2	C3	C4	O2	117.0°	119.9°
C2	C3	C4	H3	119.4°	119.9°
C2	C3	O2	H3	122.4°	120.1°
C2	C3	C4	C5	59.0°	57.0°
C2	C3	C4	O3	177.6°	176.9°
C2	C3	C4	H4	59.6°	62.9°
C3	C2	N1	C7	144.8°	150.5°
C3	C2	N1	H11	35.2°	29.5°
C2	C3	O2	C9	109.0°	128.1°
N1	C2	C3	C4	178.2°	176.8°
N1	C2	C3	O2	65.1°	63.2°
N1	C2	C3	H3	58.8°	56.9°
C2	N1	C7	C8	0.3°	174.3°
C2	N1	C7	H11	180.0°	180.0°
C2	N1	C7	O6	179.0°	5.6°
H2	C2	C3	C4	58.5°	62.9°
H2	C2	C3	O2	58.2°	57.1°
H2	C2	C3	H3	178.0°	177.2°
H2	C2	N1	C7	22.4°	30.2°
H2	C2	N1	H11	157.6°	149.7°
C4	C3	O2	H3	122.2°	120.3°
C3	C4	C5	O3	118.5°	119.9°
C3	C4	C5	H4	118.8°	119.9°
C3	C4	O3	H4	121.7°	120.2°
C3	C4	C5	C6	179.4°	177.6°
C3	C4	C5	O4	62.4°	57.6°
C3	C4	C5	H5	58.8°	62.3°
C3	C4	O3	H13	180.0°	180.0°
C4	C3	O2	C9	135.5°	112.3°
O2	C3	C4	C5	176.0°	176.8°
O2	C3	C4	O3	65.4°	63.2°
O2	C3	C4	H4	57.4°	57.0°
C3	O2	C9	C10	174.0°	168.8°
C3	O2	C9	O10	68.8°	71.2°
C3	O2	C9	H15	53.7°	48.8°
H3	C3	C4	C5	60.4°	62.9°
H3	C3	C4	O3	58.2°	57.0°
H3	C3	C4	H4	179.0°	177.2°
H3	C3	O2	C9	13.4°	7.9°
C5	C4	O3	H4	121.4°	120.1°
C4	C5	C6	O4	118.4°	119.9°
C4	C5	C6	H5	120.2°	120.0°
C4	C5	O4	H5	119.9°	119.9°
C4	C5	C6	O5	52.3°	175.0°
C4	C5	C6	H6	172.1°	55.1°
C4	C5	C6	H7	67.6°	65.0°
C5	C4	O3	H13	63.0°	60.3°
O3	C4	C5	C6	60.9°	62.5°
O3	C4	C5	O4	179.1°	177.5°
O3	C4	C5	H5	59.8°	57.6°
H4	C4	C5	C6	61.8°	57.7°
H4	C4	C5	O4	56.4°	62.3°
H4	C4	C5	H5	177.5°	177.8°
H4	C4	O3	H13	58.4°	59.8°
C6	C5	O4	H5	120.6°	120.1°
C5	C6	O5	H6	119.9°	120.0°
C5	C6	O5	H7	119.9°	120.0°
C5	C6	H6	H7	120.4°	120.0°
C5	C6	O5	H14	180.0°	180.0°
O4	C5	C6	O5	66.2°	65.1°
O4	C5	C6	H6	53.7°	175.0°
O4	C5	C6	H7	173.9°	55.0°
H5	C5	C6	O5	172.5°	55.0°
H5	C5	C6	H6	67.6°	65.0°
H5	C5	C6	H7	52.6°	175.0°
O5	C6	H6	H7	120.3°	120.0°
H6	C6	O5	H14	60.1°	60.0°
H7	C6	O5	H14	60.1°	60.0°
C8	C7	N1	O6	179.3°	180.0°
C7	C8	H8	H9	120.0°	120.0°
C7	C8	H8	H10	120.0°	120.0°
C7	C8	H9	H10	119.9°	120.0°
C8	C7	N1	H11	179.7°	5.6°
N1	C7	C8	H8	179.4°	95.0°
N1	C7	C8	H9	59.4°	144.9°
N1	C7	C8	H10	60.6°	25.0°
O6	C7	C8	H8	0.0°	85.0°
O6	C7	C8	H9	120.0°	35.0°
O6	C7	C8	H10	120.1°	155.0°
O6	C7	N1	H11	1.0°	174.4°
H8	C8	H9	H10	120.1°	120.0°
C10	C9	O10	H15	122.4°	119.9°
C10	C9	O10	O2	115.0°	120.0°
C10	C9	H15	O2	118.6°	120.0°
C9	C10	C11	O7	115.2°	120.0°
C9	C10	C11	H16	120.3°	119.9°
C9	C10	O7	H16	120.3°	120.1°
C9	C10	C11	C12	52.3°	57.0°
C9	C10	C11	O8	175.5°	176.8°
C9	C10	C11	H17	65.8°	63.0°
C10	C9	O10	C13	67.6°	61.1°
C9	C10	O7	C15	141.9°	144.5°
O10	C9	H15	O2	118.8°	120.1°
O10	C9	C10	C11	57.6°	57.5°
O10	C9	C10	O7	175.5°	177.5°
O10	C9	C10	H16	62.9°	62.4°
C9	O10	C13	C12	68.3°	61.1°
C9	O10	C13	C14	172.2°	178.9°
C9	O10	C13	H19	51.6°	58.8°
H15	C9	C10	C11	66.2°	62.4°
H15	C9	C10	O7	51.8°	57.5°
H15	C9	C10	H16	173.4°	177.6°
H15	C9	O10	C13	54.8°	58.8°
C11	C10	O7	H16	123.4°	120.2°
C10	C11	C12	O8	119.2°	119.8°
C10	C11	C12	H17	118.3°	119.9°
C10	C11	O8	H17	117.3°	120.2°
C10	C11	C12	C13	54.3°	57.0°
C10	C11	C12	O9	67.4°	62.9°
C10	C11	C12	H18	171.7°	176.9°
C11	C10	C9	O2	171.9°	177.6°
C11	C10	O7	C15	101.7°	95.8°
C10	C11	O8	C21	170.9°	160.9°
O7	C10	C11	C12	167.4°	176.9°
O7	C10	C11	O8	69.4°	63.2°
O7	C10	C11	H17	49.3°	57.0°
C10	O7	C15	C16	167.9°	176.1°
C10	O7	C15	O15	71.6°	64.0°
C10	O7	C15	H24	48.2°	56.1°
O7	C10	C9	O2	70.2°	62.4°
H16	C10	C11	C12	68.1°	62.9°
H16	C10	C11	O8	55.1°	56.9°
H16	C10	C11	H17	173.8°	177.2°
H16	C10	C9	O2	51.4°	57.7°
H16	C10	O7	C15	21.7°	24.4°
C12	C11	O8	H17	121.1°	120.2°
C11	C12	C13	O9	121.1°	119.9°
C11	C12	C13	H18	117.2°	119.9°
C11	C12	O9	H18	119.6°	120.1°
C11	C12	C13	C14	176.8°	177.6°
C11	C12	C13	O10	59.5°	57.6°
C11	C12	C13	H19	61.5°	62.4°
C11	C12	O9	H22	180.0°	180.0°
C12	C11	O8	C21	67.5°	79.6°
O8	C11	C12	C13	173.6°	176.8°
O8	C11	C12	O9	51.9°	56.9°
O8	C11	C12	H18	69.1°	63.2°
C11	O8	C21	C22	179.8°	176.3°
C11	O8	C21	O19	57.9°	63.7°
C11	O8	C21	H35	61.0°	56.3°
H17	C11	C12	C13	64.0°	62.9°
H17	C11	C12	O9	174.3°	177.2°
H17	C11	C12	H18	53.4°	57.0°
H17	C11	O8	C21	53.6°	40.7°
C13	C12	O9	H18	120.6°	120.2°
C12	C13	C14	O10	117.6°	119.9°
C12	C13	C14	H19	121.2°	120.0°
C12	C13	O10	H19	119.9°	120.0°
C12	C13	C14	O11	175.2°	175.0°
C12	C13	C14	H20	55.2°	55.0°
C12	C13	C14	H21	64.9°	65.1°
C13	C12	O9	H22	60.2°	60.3°
O9	C12	C13	C14	55.8°	57.7°
O9	C12	C13	O10	61.5°	62.3°
O9	C12	C13	H19	177.4°	177.7°
H18	C12	C13	C14	65.9°	62.5°
H18	C12	C13	O10	176.8°	177.5°
H18	C12	C13	H19	55.7°	57.5°
H18	C12	O9	H22	60.3°	59.9°
C14	C13	O10	H19	120.5°	120.1°
C13	C14	O11	H20	119.9°	120.0°
C13	C14	O11	H21	119.9°	119.9°
C13	C14	H20	H21	120.2°	120.0°
C13	C14	O11	H23	180.0°	180.0°
O10	C13	C14	O11	67.2°	65.0°
O10	C13	C14	H20	172.8°	174.9°
O10	C13	C14	H21	52.7°	54.9°
C13	O10	C9	O2	177.4°	178.8°
H19	C13	C14	O11	54.0°	55.0°
H19	C13	C14	H20	66.0°	65.0°
H19	C13	C14	H21	173.9°	174.9°
O11	C14	H20	H21	120.2°	120.0°
H20	C14	O11	H23	60.1°	60.0°
H21	C14	O11	H23	60.1°	60.1°
C16	C15	O15	H24	118.5°	120.1°
C16	C15	O15	O7	121.3°	120.0°
C16	C15	H24	O7	121.3°	120.0°
C15	C16	C17	O12	116.0°	119.9°
C15	C16	C17	H25	121.4°	119.9°
C15	C16	O12	H25	121.2°	120.1°
C15	C16	C17	C18	58.4°	56.9°
C15	C16	C17	O13	177.1°	176.8°
C15	C16	C17	H26	60.7°	62.9°
C16	C15	O15	C19	58.4°	61.1°
C15	C16	O12	H32	180.0°	67.5°
O15	C15	H24	O7	119.4°	120.0°
O15	C15	C16	C17	57.1°	57.6°
O15	C15	C16	O12	173.1°	177.5°
O15	C15	C16	H25	64.1°	62.3°
C15	O15	C19	C18	58.4°	61.1°
C15	O15	C19	C20	174.7°	178.9°
C15	O15	C19	H28	57.8°	58.9°
H24	C15	C16	C17	176.4°	177.7°
H24	C15	C16	O12	67.6°	62.4°
H24	C15	C16	H25	55.3°	57.8°
H24	C15	O15	C19	176.9°	178.8°
C17	C16	O12	H25	120.8°	120.2°
C16	C17	C18	O13	117.6°	119.9°
C16	C17	C18	H26	118.8°	119.8°
C16	C17	O13	H26	120.6°	120.2°
C16	C17	C18	C19	57.4°	56.9°
C16	C17	C18	O14	64.4°	63.0°
C16	C17	C18	H27	174.3°	176.9°
C17	C16	O12	H32	62.1°	172.8°
C16	C17	O13	H33	179.9°	60.0°
C17	C16	C15	O7	62.9°	62.4°
O12	C16	C17	C18	174.4°	176.9°
O12	C16	C17	O13	67.0°	63.2°
O12	C16	C17	H26	55.2°	57.1°
O12	C16	C15	O7	53.1°	57.5°
H25	C16	C17	C18	63.0°	62.9°
H25	C16	C17	O13	55.7°	57.0°
H25	C16	C17	H26	177.9°	177.3°
H25	C16	O12	H32	58.8°	52.6°
H25	C16	C15	O7	175.9°	177.7°
C18	C17	O13	H26	122.3°	120.2°
C17	C18	C19	O14	123.3°	119.9°
C17	C18	C19	H27	117.2°	119.9°
C17	C18	O14	H27	120.3°	120.1°
C17	C18	C19	C20	177.9°	177.6°
C17	C18	C19	O15	57.3°	57.6°
C17	C18	C19	H28	60.0°	62.5°
C18	C17	O13	H33	62.9°	179.6°
C17	C18	O14	H34	180.0°	176.4°
O13	C17	C18	C19	175.0°	176.8°
O13	C17	C18	O14	53.2°	56.9°
O13	C17	C18	H27	68.1°	63.2°
H26	C17	C18	C19	61.4°	62.9°
H26	C17	C18	O14	176.8°	177.2°
H26	C17	C18	H27	55.5°	57.1°
H26	C17	O13	H33	59.4°	60.2°
C19	C18	O14	H27	118.2°	120.2°
C18	C19	C20	O15	125.0°	120.0°
C18	C19	C20	H28	117.6°	120.0°
C18	C19	O15	H28	116.2°	120.0°
C18	C19	C20	H29	180.0°	54.1°
C18	C19	C20	H30	59.9°	174.1°
C18	C19	C20	H31	60.0°	65.8°
C19	C18	O14	H34	58.4°	56.7°
O14	C18	C19	C20	58.9°	57.7°
O14	C18	C19	O15	66.0°	62.3°
O14	C18	C19	H28	176.8°	177.7°
H27	C18	C19	C20	60.6°	62.5°
H27	C18	C19	O15	174.5°	177.5°
H27	C18	C19	H28	57.3°	57.4°
H27	C18	O14	H34	59.7°	63.5°
C20	C19	O15	H28	116.8°	120.0°
C19	C20	H29	H30	120.1°	120.0°
C19	C20	H29	H31	120.0°	120.0°
C19	C20	H30	H31	119.9°	120.0°
O15	C19	C20	H29	55.0°	174.1°
O15	C19	C20	H30	65.1°	65.9°
O15	C19	C20	H31	175.1°	54.1°
C19	O15	C15	O7	62.9°	58.9°
H28	C19	C20	H29	62.5°	65.9°
H28	C19	C20	H30	177.5°	54.1°
H28	C19	C20	H31	57.6°	174.2°
H29	C20	H30	H31	120.0°	120.0°
C22	C21	O19	H35	118.1°	120.0°
C22	C21	O19	O8	122.9°	120.0°
C22	C21	H35	O8	121.0°	120.0°
C21	C22	C23	O16	117.6°	119.9°
C21	C22	C23	H36	119.0°	119.9°
C21	C22	O16	H36	119.4°	120.2°
C21	C22	C23	C24	57.6°	56.9°
C21	C22	C23	O17	177.3°	176.9°
C21	C22	C23	H37	61.2°	62.9°
C22	C21	O19	C25	59.8°	61.1°
C21	C22	O16	H42	180.0°	60.0°
O19	C21	H35	O8	119.1°	120.0°
O19	C21	C22	C23	58.1°	57.6°
O19	C21	C22	O16	178.5°	177.5°
O19	C21	C22	H36	60.9°	62.2°
C21	O19	C25	C24	58.3°	61.1°
C21	O19	C25	C26	176.7°	178.9°
C21	O19	C25	H39	59.6°	58.8°
H35	C21	C22	C23	176.9°	177.6°
H35	C21	C22	O16	62.7°	62.5°
H35	C21	C22	H36	58.0°	57.7°
H35	C21	O19	C25	177.9°	178.8°
C23	C22	O16	H36	122.1°	120.1°
C22	C23	C24	O17	118.8°	119.9°
C22	C23	C24	H37	119.0°	119.8°
C22	C23	O17	H37	120.2°	120.2°
C22	C23	C24	C25	55.8°	57.0°
C22	C23	C24	O18	63.6°	63.0°
C22	C23	C24	H38	174.1°	176.9°
C23	C22	O16	H42	61.5°	179.7°
C22	C23	O17	H43	180.0°	60.0°
C23	C22	C21	O8	63.5°	62.4°
O16	C22	C23	C24	175.2°	176.9°
O16	C22	C23	O17	65.1°	63.2°
O16	C22	C23	H37	56.4°	57.0°
O16	C22	C21	O8	56.9°	57.5°
H36	C22	C23	C24	61.4°	62.9°
H36	C22	C23	O17	58.3°	57.0°
H36	C22	C23	H37	179.8°	177.2°
H36	C22	O16	H42	60.6°	60.1°
H36	C22	C21	O8	177.6°	177.7°
C24	C23	O17	H37	120.7°	120.2°
C23	C24	C25	O18	120.5°	119.9°
C23	C24	C25	H38	118.1°	120.0°
C23	C24	O18	H38	120.8°	120.2°
C23	C24	C25	C26	178.9°	177.6°
C23	C24	C25	O19	55.0°	57.6°
C23	C24	C25	H39	63.9°	62.4°
C24	C23	O17	H43	61.0°	179.6°
C23	C24	O18	H44	180.0°	60.0°
O17	C23	C24	C25	174.7°	176.9°
O17	C23	C24	O18	55.2°	56.9°
O17	C23	C24	H38	67.0°	63.2°
H37	C23	C24	C25	63.2°	62.9°
H37	C23	C24	O18	177.3°	177.2°
H37	C23	C24	H38	55.1°	57.1°
H37	C23	O17	H43	59.7°	60.2°
C25	C24	O18	H38	120.0°	120.1°
C24	C25	C26	O19	124.5°	119.9°
C24	C25	C26	H39	117.3°	120.0°
C24	C25	O19	H39	117.8°	119.9°
C24	C25	C26	O20	166.1°	171.5°
C24	C25	C26	H40	46.0°	51.5°
C24	C25	C26	H41	73.7°	68.6°
C25	C24	O18	H44	60.7°	179.7°
O18	C24	C25	C26	58.3°	57.7°
O18	C24	C25	O19	65.6°	62.3°
O18	C24	C25	H39	175.6°	177.7°
H38	C24	C25	C26	63.0°	62.5°
H38	C24	C25	O19	173.1°	177.5°
H38	C24	C25	H39	54.2°	57.6°
H38	C24	O18	H44	59.3°	60.2°
C26	C25	O19	H39	117.2°	120.1°
C25	C26	O20	H40	120.2°	120.0°
C25	C26	O20	H41	120.2°	119.9°
C25	C26	H40	H41	119.5°	120.0°
C25	C26	O20	H45	180.0°	180.0°
O19	C25	C26	O20	69.4°	68.6°
O19	C25	C26	H40	170.5°	171.4°
O19	C25	C26	H41	50.8°	51.3°
C25	O19	C21	O8	63.1°	58.9°
H39	C25	C26	O20	48.9°	51.5°
H39	C25	C26	H40	71.3°	68.6°
H39	C25	C26	H41	169.0°	171.4°
O20	C26	H40	H41	119.5°	120.0°
H40	C26	O20	H45	59.9°	60.0°
H41	C26	O20	H45	59.8°	60.1°

Release date:	2022-03-02
Last modified:	2023-06-11
Processing site:	RCSB