PRD_900124

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	O1	sing	1.43Å	1.44Å
C1	O6	sing	1.43Å	1.38Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	N1	sing	1.46Å	1.45Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	O2	sing	1.43Å	1.44Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.54Å
C4	O3	sing	1.43Å	1.45Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.51Å
C5	O1	sing	1.43Å	1.44Å
C5	H5	sing	1.09Å	1.10Å
C6	O4	sing	1.43Å	1.42Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	C8	sing	1.51Å	1.52Å
C7	O5	doub	1.21Å	1.23Å
C7	N1	sing	1.35Å	1.33Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
O4	H11	sing	0.97Å	0.95Å
N1	H12	sing	0.97Å	1.00Å
O6	H13	sing	0.97Å	0.95Å
C9	C10	sing	1.53Å	1.54Å
C9	O10	sing	1.43Å	1.44Å
C9	H14	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.53Å
C10	O7	sing	1.43Å	1.44Å
C10	H15	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.53Å
C11	O8	sing	1.43Å	1.42Å
C11	H16	sing	1.09Å	1.10Å
C12	C13	sing	1.53Å	1.53Å
C12	O9	sing	1.43Å	1.42Å
C12	H17	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.52Å
C13	O10	sing	1.43Å	1.45Å
C13	H18	sing	1.09Å	1.10Å
C14	O11	sing	1.43Å	1.42Å
C14	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
O8	H21	sing	0.97Å	0.95Å
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	1.43Å
C15	H24	sing	1.09Å	1.10Å
C16	C17	sing	1.53Å	1.53Å
C16	O12	sing	1.43Å	1.42Å
C16	H25	sing	1.09Å	1.10Å
C17	C18	sing	1.53Å	1.53Å
C17	O13	sing	1.43Å	1.42Å
C17	H26	sing	1.09Å	1.10Å
C18	C19	sing	1.53Å	1.53Å
C18	O14	sing	1.43Å	1.42Å
C18	H27	sing	1.09Å	1.10Å
C19	C20	sing	1.53Å	1.52Å
C19	O15	sing	1.43Å	1.45Å
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	1.42Å
C21	H35	sing	1.09Å	1.10Å
C22	C23	sing	1.53Å	1.53Å
C22	O16	sing	1.43Å	1.42Å
C22	H36	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.53Å
C23	O17	sing	1.43Å	1.42Å
C23	H37	sing	1.09Å	1.10Å
C24	C25	sing	1.53Å	1.54Å
C24	O18	sing	1.43Å	1.42Å
C24	H38	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.52Å
C25	O19	sing	1.43Å	1.45Å
C25	H39	sing	1.09Å	1.10Å
C26	H40	sing	1.09Å	1.10Å
C26	H41	sing	1.09Å	1.10Å
C26	H42	sing	1.09Å	1.10Å
O16	H43	sing	0.97Å	0.95Å
O17	H44	sing	0.97Å	0.95Å
O18	H45	sing	0.97Å	0.95Å
O3	C9	sing	1.43Å	1.39Å
O2	C21	sing	1.43Å	1.40Å
O7	C15	sing	1.43Å	1.40Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	111.0°	109.4°
C2	C1	O6	110.7°	109.5°
C2	C1	H1	107.7°	109.4°
C1	C2	C3	110.9°	109.1°
C1	C2	N1	110.6°	109.5°
C1	C2	H2	107.9°	109.5°
O1	C1	O6	108.5°	109.5°
O1	C1	H1	109.0°	109.5°
C1	O1	C5	113.4°	114.1°
O6	C1	H1	109.8°	109.4°
C1	O6	H13	109.5°	114.0°
C3	C2	N1	110.4°	109.5°
C3	C2	H2	108.0°	109.5°
C2	C3	C4	108.8°	109.0°
C2	C3	O2	108.9°	109.5°
C2	C3	H3	109.4°	109.5°
N1	C2	H2	109.0°	109.6°
C2	N1	C7	119.9°	120.0°
C2	N1	H12	120.1°	120.0°
C4	C3	O2	109.6°	109.6°
C4	C3	H3	109.4°	109.5°
C3	C4	C5	108.8°	109.1°
C3	C4	O3	110.9°	109.5°
C3	C4	H4	108.5°	109.5°
O2	C3	H3	110.7°	109.6°
C3	O2	C21	115.8°	114.0°
C5	C4	O3	110.5°	109.5°
C5	C4	H4	108.4°	109.6°
C4	C5	C6	112.9°	109.4°
C4	C5	O1	109.8°	109.4°
C4	C5	H5	108.5°	109.5°
O3	C4	H4	109.7°	109.6°
C4	O3	C9	116.0°	114.0°
C6	C5	O1	106.9°	109.4°
C6	C5	H5	108.9°	109.5°
C5	C6	O4	111.1°	109.5°
C5	C6	H6	109.0°	109.4°
C5	C6	H7	109.1°	109.5°
O1	C5	H5	109.8°	109.5°
O4	C6	H6	109.1°	109.5°
O4	C6	H7	109.0°	109.5°
C6	O4	H11	109.5°	114.0°
H6	C6	H7	109.5°	109.5°
C8	C7	O5	119.6°	120.0°
C8	C7	N1	117.7°	120.0°
C7	C8	H8	109.5°	109.5°
C7	C8	H9	109.5°	109.5°
C7	C8	H10	109.5°	109.5°
O5	C7	N1	122.7°	120.0°
C7	N1	H12	120.1°	120.0°
H8	C8	H9	109.5°	109.5°
H8	C8	H10	109.4°	109.4°
H9	C8	H10	109.5°	109.5°
C10	C9	O10	109.6°	109.4°
C10	C9	H14	108.4°	109.5°
C9	C10	C11	108.8°	109.1°
C9	C10	O7	110.6°	109.5°
C9	C10	H15	108.7°	109.5°
C10	C9	O3	110.2°	109.4°
O10	C9	H14	109.7°	109.5°
C9	O10	C13	112.6°	114.1°
O10	C9	O3	108.5°	109.5°
H14	C9	O3	110.4°	109.5°
C11	C10	O7	109.8°	109.5°
C11	C10	H15	108.8°	109.5°
C10	C11	C12	108.9°	109.0°
C10	C11	O8	110.6°	109.5°
C10	C11	H16	108.5°	109.5°
O7	C10	H15	110.1°	109.6°
C10	O7	C15	114.9°	114.0°
C12	C11	O8	110.3°	109.6°
C12	C11	H16	108.5°	109.6°
C11	C12	C13	108.5°	109.2°
C11	C12	O9	109.3°	109.5°
C11	C12	H17	109.3°	109.5°
O8	C11	H16	109.9°	109.6°
C11	O8	H21	109.5°	113.9°
C13	C12	O9	109.7°	109.5°
C13	C12	H17	109.2°	109.6°
C12	C13	C14	113.6°	109.5°
C12	C13	O10	110.1°	109.4°
C12	C13	H18	108.1°	109.5°
O9	C12	H17	110.8°	109.5°
C12	O9	H22	109.5°	114.0°
C14	C13	O10	107.6°	109.5°
C14	C13	H18	108.2°	109.5°
C13	C14	O11	111.6°	109.5°
C13	C14	H19	109.0°	109.5°
C13	C14	H20	108.9°	109.5°
O10	C13	H18	109.2°	109.5°
O11	C14	H19	108.9°	109.5°
O11	C14	H20	108.9°	109.4°
C14	O11	H23	109.5°	114.0°
H19	C14	H20	109.5°	109.5°
C16	C15	O15	110.2°	109.4°
C16	C15	H24	107.1°	109.4°
C15	C16	C17	109.9°	109.2°
C15	C16	O12	110.0°	109.5°
C15	C16	H25	108.5°	109.5°
C16	C15	O7	110.0°	109.4°
O15	C15	H24	108.4°	109.5°
C15	O15	C19	114.6°	114.1°
O15	C15	O7	112.3°	109.5°
H24	C15	O7	108.7°	109.5°
C17	C16	O12	109.8°	109.6°
C17	C16	H25	108.5°	109.6°
C16	C17	C18	109.7°	109.1°
C16	C17	O13	109.8°	109.5°
C16	C17	H26	108.6°	109.5°
O12	C16	H25	110.1°	109.6°
C16	O12	H32	109.5°	114.1°
C18	C17	O13	109.9°	109.6°
C18	C17	H26	108.7°	109.6°
C17	C18	C19	109.3°	109.2°
C17	C18	O14	109.6°	109.5°
C17	C18	H27	109.0°	109.5°
O13	C17	H26	110.1°	109.6°
C17	O13	H33	109.5°	114.0°
C19	C18	O14	109.4°	109.5°
C19	C18	H27	109.0°	109.5°
C18	C19	C20	112.3°	109.5°
C18	C19	O15	109.8°	109.4°
C18	C19	H28	108.7°	109.4°
O14	C18	H27	110.5°	109.5°
C18	O14	H34	109.5°	114.0°
C20	C19	O15	107.3°	109.5°
C20	C19	H28	108.9°	109.4°
C19	C20	H29	109.5°	109.5°
C19	C20	H30	109.4°	109.4°
C19	C20	H31	109.5°	109.4°
O15	C19	H28	109.8°	109.6°
H29	C20	H30	109.5°	109.5°
H29	C20	H31	109.4°	109.4°
H30	C20	H31	109.5°	109.5°
C22	C21	O19	109.5°	109.4°
C22	C21	H35	107.8°	109.4°
C21	C22	C23	109.0°	109.1°
C21	C22	O16	109.9°	109.5°
C21	C22	H36	108.7°	109.5°
C22	C21	O2	109.1°	109.5°
O19	C21	H35	109.3°	109.5°
C21	O19	C25	114.3°	114.1°
O19	C21	O2	111.5°	109.5°
H35	C21	O2	109.6°	109.5°
C23	C22	O16	110.2°	109.5°
C23	C22	H36	108.7°	109.5°
C22	C23	C24	109.7°	109.0°
C22	C23	O17	109.8°	109.5°
C22	C23	H37	108.7°	109.5°
O16	C22	H36	110.3°	109.6°
C22	O16	H43	109.5°	114.0°
C24	C23	O17	109.6°	109.5°
C24	C23	H37	108.7°	109.6°
C23	C24	C25	110.4°	109.1°
C23	C24	O18	109.0°	109.6°
C23	C24	H38	108.8°	109.5°
O17	C23	H37	110.2°	109.6°
C23	O17	H44	109.5°	114.0°
C25	C24	O18	109.6°	109.5°
C25	C24	H38	108.7°	109.5°
C24	C25	C26	112.8°	109.4°
C24	C25	O19	109.8°	109.4°
C24	C25	H39	108.5°	109.5°
O18	C24	H38	110.3°	109.6°
C24	O18	H45	109.5°	114.0°
C26	C25	O19	107.3°	109.5°
C26	C25	H39	108.7°	109.5°
C25	C26	H40	109.5°	109.5°
C25	C26	H41	109.4°	109.4°
C25	C26	H42	109.4°	109.5°
O19	C25	H39	109.7°	109.5°
H40	C26	H41	109.5°	109.4°
H40	C26	H42	109.5°	109.5°
H41	C26	H42	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O6	121.9°	120.0°
C2	C1	O1	H1	118.5°	120.0°
C2	C1	O6	H1	118.8°	120.0°
C1	C2	C3	N1	122.9°	119.9°
C1	C2	C3	H2	118.0°	119.9°
C1	C2	N1	H2	118.4°	120.2°
C1	C2	C3	C4	54.5°	57.0°
C1	C2	C3	O2	173.9°	176.8°
C1	C2	C3	H3	65.0°	62.9°
C2	C1	O1	C5	57.2°	61.2°
C1	C2	N1	C7	125.4°	85.0°
C1	C2	N1	H12	54.5°	95.0°
C2	C1	O6	H13	180.0°	180.0°
O1	C1	O6	H1	119.1°	120.1°
O1	C1	C2	C3	53.4°	57.6°
O1	C1	C2	N1	176.2°	177.5°
O1	C1	C2	H2	64.7°	62.3°
C1	O1	C5	C4	61.1°	61.2°
C1	O1	C5	C6	176.1°	178.9°
C1	O1	C5	H5	58.2°	58.9°
O1	C1	O6	H13	58.0°	60.0°
O6	C1	C2	C3	67.2°	62.4°
O6	C1	C2	N1	55.6°	57.5°
O6	C1	C2	H2	174.8°	177.7°
O6	C1	O1	C5	64.7°	58.8°
H1	C1	C2	C3	172.8°	177.7°
H1	C1	C2	N1	64.4°	62.5°
H1	C1	C2	H2	54.7°	57.7°
H1	C1	O1	C5	175.7°	178.8°
H1	C1	O6	H13	61.1°	60.0°
C3	C2	N1	H2	118.4°	120.2°
C2	C3	C4	O2	119.0°	119.8°
C2	C3	C4	H3	119.5°	119.8°
C2	C3	O2	H3	120.3°	120.2°
C2	C3	C4	C5	57.7°	57.0°
C2	C3	C4	O3	179.4°	176.9°
C2	C3	C4	H4	60.1°	62.9°
C3	C2	N1	C7	111.4°	155.3°
C3	C2	N1	H12	68.6°	24.6°
C2	C3	O2	C21	103.4°	90.0°
N1	C2	C3	C4	177.4°	176.9°
N1	C2	C3	O2	63.2°	63.3°
N1	C2	C3	H3	57.9°	57.0°
C2	N1	C7	C8	176.7°	180.0°
C2	N1	C7	O5	3.1°	0.0°
C2	N1	C7	H12	180.0°	180.0°
H2	C2	C3	C4	63.5°	62.9°
H2	C2	C3	O2	55.9°	56.9°
H2	C2	C3	H3	176.9°	177.2°
H2	C2	N1	C7	7.0°	35.2°
H2	C2	N1	H12	173.0°	144.8°
C4	C3	O2	H3	120.8°	120.2°
C3	C4	C5	O3	122.0°	119.9°
C3	C4	C5	H4	117.8°	119.9°
C3	C4	O3	H4	119.8°	120.1°
C3	C4	C5	C6	179.8°	177.6°
C3	C4	C5	O1	60.6°	57.7°
C3	C4	C5	H5	59.5°	62.4°
C3	C4	O3	C9	139.2°	139.9°
C4	C3	O2	C21	137.6°	150.4°
O2	C3	C4	C5	176.7°	176.9°
O2	C3	C4	O3	61.6°	63.3°
O2	C3	C4	H4	58.9°	56.9°
C3	O2	C21	C22	161.2°	175.0°
C3	O2	C21	O19	77.8°	65.0°
C3	O2	C21	H35	43.3°	55.0°
H3	C3	C4	C5	61.8°	62.8°
H3	C3	C4	O3	59.9°	57.0°
H3	C3	C4	H4	179.5°	177.2°
H3	C3	O2	C21	16.9°	30.2°
C5	C4	O3	H4	119.5°	120.2°
C4	C5	C6	O1	120.8°	119.9°
C4	C5	C6	H5	120.6°	120.1°
C4	C5	O1	H5	119.2°	120.1°
C4	C5	C6	O4	172.9°	176.6°
C4	C5	C6	H6	52.6°	56.6°
C4	C5	C6	H7	66.9°	63.4°
C5	C4	O3	C9	100.1°	100.4°
O3	C4	C5	C6	58.3°	62.5°
O3	C4	C5	O1	177.5°	177.5°
O3	C4	C5	H5	62.5°	57.5°
C4	O3	C9	C10	162.3°	177.2°
C4	O3	C9	O10	77.6°	62.9°
C4	O3	C9	H14	42.6°	57.2°
H4	C4	C5	C6	61.9°	57.7°
H4	C4	C5	O1	57.3°	62.2°
H4	C4	C5	H5	177.3°	177.7°
H4	C4	O3	C9	19.4°	19.8°
C6	C5	O1	H5	117.9°	120.0°
C5	C6	O4	H6	120.2°	120.0°
C5	C6	O4	H7	120.3°	120.0°
C5	C6	H6	H7	119.2°	120.0°
C5	C6	O4	H11	180.0°	180.0°
O1	C5	C6	O4	66.3°	63.5°
O1	C5	C6	H6	173.4°	176.5°
O1	C5	C6	H7	53.9°	56.6°
H5	C5	C6	O4	52.3°	56.6°
H5	C5	C6	H6	68.0°	63.4°
H5	C5	C6	H7	172.5°	176.6°
O4	C6	H6	H7	119.2°	120.0°
H6	C6	O4	H11	59.7°	60.0°
H7	C6	O4	H11	59.8°	60.0°
C8	C7	O5	N1	179.8°	180.0°
C7	C8	H8	H9	120.0°	120.0°
C7	C8	H8	H10	120.0°	120.0°
C7	C8	H9	H10	120.0°	120.1°
C8	C7	N1	H12	3.3°	0.0°
O5	C7	C8	H8	0.0°	0.1°
O5	C7	C8	H9	120.0°	119.9°
O5	C7	C8	H10	120.0°	120.0°
O5	C7	N1	H12	176.9°	180.0°
N1	C7	C8	H8	179.8°	180.0°
N1	C7	C8	H9	60.2°	60.0°
N1	C7	C8	H10	59.8°	60.0°
H8	C8	H9	H10	119.9°	119.9°
C10	C9	O10	H14	119.0°	120.0°
C10	C9	O10	O3	120.3°	119.9°
C10	C9	H14	O3	120.8°	120.0°
C9	C10	C11	O7	121.2°	119.9°
C9	C10	C11	H15	118.3°	119.9°
C9	C10	O7	H15	120.1°	120.2°
C9	C10	C11	C12	58.6°	57.0°
C9	C10	C11	O8	180.0°	176.9°
C9	C10	C11	H16	59.3°	62.9°
C10	C9	O10	C13	60.5°	61.2°
C9	C10	O7	C15	140.3°	64.5°
O10	C9	H14	O3	119.5°	120.1°
O10	C9	C10	C11	58.7°	57.6°
O10	C9	C10	O7	179.4°	177.5°
O10	C9	C10	H15	59.7°	62.3°
C9	O10	C13	C12	60.8°	61.2°
C9	O10	C13	C14	175.0°	178.8°
C9	O10	C13	H18	57.8°	58.8°
H14	C9	C10	C11	61.1°	62.4°
H14	C9	C10	O7	59.6°	57.5°
H14	C9	C10	H15	179.4°	177.7°
H14	C9	O10	C13	58.5°	58.8°
C11	C10	O7	H15	119.8°	120.2°
C10	C11	C12	O8	121.6°	119.9°
C10	C11	C12	H16	117.9°	119.9°
C10	C11	O8	H16	119.8°	120.2°
C10	C11	C12	C13	58.5°	57.0°
C10	C11	C12	O9	61.1°	62.9°
C10	C11	C12	H17	177.5°	176.9°
C10	C11	O8	H21	180.0°	180.0°
C11	C10	C9	O3	178.0°	177.6°
C11	C10	O7	C15	99.6°	55.2°
O7	C10	C11	C12	179.8°	176.8°
O7	C10	C11	O8	58.8°	63.3°
O7	C10	C11	H16	61.9°	56.9°
C10	O7	C15	C16	158.8°	161.9°
C10	O7	C15	O15	78.1°	78.2°
C10	O7	C15	H24	41.8°	41.9°
O7	C10	C9	O3	61.3°	62.5°
H15	C10	C11	C12	59.6°	62.9°
H15	C10	C11	O8	61.8°	57.0°
H15	C10	C11	H16	177.6°	177.2°
H15	C10	C9	O3	59.6°	57.7°
H15	C10	O7	C15	20.2°	175.4°
C12	C11	O8	H16	119.6°	120.2°
C11	C12	C13	O9	119.3°	119.9°
C11	C12	C13	H17	119.0°	119.9°
C11	C12	O9	H17	120.4°	120.1°
C11	C12	C13	C14	179.4°	177.6°
C11	C12	C13	O10	58.7°	57.6°
C11	C12	C13	H18	60.5°	62.4°
C12	C11	O8	H21	59.4°	60.5°
C11	C12	O9	H22	180.0°	180.0°
O8	C11	C12	C13	180.0°	176.8°
O8	C11	C12	O9	60.4°	56.9°
O8	C11	C12	H17	61.0°	63.2°
H16	C11	C12	C13	59.5°	62.9°
H16	C11	C12	O9	179.1°	177.2°
H16	C11	C12	H17	59.6°	57.0°
H16	C11	O8	H21	60.2°	59.8°
C13	C12	O9	H17	120.7°	120.2°
C12	C13	C14	O10	122.1°	119.9°
C12	C13	C14	H18	120.0°	120.0°
C12	C13	O10	H18	118.5°	120.0°
C12	C13	C14	O11	53.9°	175.0°
C12	C13	C14	H19	174.2°	55.0°
C12	C13	C14	H20	66.5°	65.0°
C13	C12	O9	H22	61.2°	60.3°
O9	C12	C13	C14	60.1°	57.7°
O9	C12	C13	O10	60.7°	62.2°
O9	C12	C13	H18	179.9°	177.7°
H17	C12	C13	C14	61.6°	62.5°
H17	C12	C13	O10	177.7°	177.6°
H17	C12	C13	H18	58.5°	57.5°
H17	C12	O9	H22	59.5°	59.9°
C14	C13	O10	H18	117.2°	120.0°
C13	C14	O11	H19	120.3°	120.0°
C13	C14	O11	H20	120.3°	120.0°
C13	C14	H19	H20	119.0°	120.0°
C13	C14	O11	H23	180.0°	180.0°
O10	C13	C14	O11	68.3°	65.1°
O10	C13	C14	H19	52.1°	174.9°
O10	C13	C14	H20	171.4°	54.9°
C13	O10	C9	O3	179.2°	178.9°
H18	C13	C14	O11	173.9°	55.0°
H18	C13	C14	H19	65.8°	65.0°
H18	C13	C14	H20	53.6°	175.0°
O11	C14	H19	H20	119.0°	120.0°
H19	C14	O11	H23	59.7°	60.0°
H20	C14	O11	H23	59.7°	60.0°
C16	C15	O15	H24	116.9°	119.9°
C16	C15	O15	O7	123.0°	119.9°
C16	C15	H24	O7	118.8°	120.0°
C15	C16	C17	O12	121.1°	119.9°
C15	C16	C17	H25	118.6°	119.9°
C15	C16	O12	H25	119.5°	120.1°
C15	C16	C17	C18	56.0°	57.0°
C15	C16	C17	O13	176.9°	176.9°
C15	C16	C17	H26	62.7°	62.9°
C16	C15	O15	C19	58.5°	61.2°
C15	C16	O12	H32	180.0°	60.0°
O15	C15	H24	O7	122.4°	120.1°
O15	C15	C16	C17	55.6°	57.6°
O15	C15	C16	O12	176.5°	177.5°
O15	C15	C16	H25	63.0°	62.3°
C15	O15	C19	C18	59.4°	61.2°
C15	O15	C19	C20	178.3°	178.8°
C15	O15	C19	H28	60.0°	58.8°
H24	C15	C16	C17	173.2°	177.6°
H24	C15	C16	O12	65.8°	62.5°
H24	C15	C16	H25	54.6°	57.6°
H24	C15	O15	C19	175.4°	178.9°
C17	C16	O12	H25	119.4°	120.2°
C16	C17	C18	O13	120.9°	119.9°
C16	C17	C18	H26	118.6°	119.9°
C16	C17	O13	H26	119.5°	120.2°
C16	C17	C18	C19	56.7°	57.0°
C16	C17	C18	O14	63.2°	63.0°
C16	C17	C18	H27	175.8°	176.9°
C17	C16	O12	H32	59.0°	179.7°
C16	C17	O13	H33	180.0°	60.0°
C17	C16	C15	O7	68.8°	62.4°
O12	C16	C17	C18	177.1°	176.8°
O12	C16	C17	O13	62.0°	63.2°
O12	C16	C17	H26	58.4°	57.0°
O12	C16	C15	O7	52.2°	57.6°
H25	C16	C17	C18	62.6°	62.9°
H25	C16	C17	O13	58.3°	57.0°
H25	C16	C17	H26	178.7°	177.2°
H25	C16	O12	H32	60.5°	60.1°
H25	C16	C15	O7	172.6°	177.7°
C18	C17	O13	H26	119.6°	120.2°
C17	C18	C19	O14	120.0°	119.9°
C17	C18	C19	H27	119.1°	119.9°
C17	C18	O14	H27	120.1°	120.1°
C17	C18	C19	C20	176.2°	177.6°
C17	C18	C19	O15	56.9°	57.6°
C17	C18	C19	H28	63.2°	62.5°
C18	C17	O13	H33	59.2°	179.6°
C17	C18	O14	H34	180.0°	180.0°
O13	C17	C18	C19	177.6°	176.8°
O13	C17	C18	O14	57.7°	56.9°
O13	C17	C18	H27	63.3°	63.2°
H26	C17	C18	C19	61.9°	62.9°
H26	C17	C18	O14	178.2°	177.2°
H26	C17	C18	H27	57.2°	57.1°
H26	C17	O13	H33	60.5°	60.2°
C19	C18	O14	H27	120.0°	120.2°
C18	C19	C20	O15	120.7°	120.0°
C18	C19	C20	H28	120.5°	119.9°
C18	C19	O15	H28	119.5°	120.0°
C18	C19	C20	H29	180.0°	64.7°
C18	C19	C20	H30	60.0°	175.2°
C18	C19	C20	H31	60.0°	55.3°
C19	C18	O14	H34	60.2°	60.3°
O14	C18	C19	C20	56.2°	57.7°
O14	C18	C19	O15	63.1°	62.3°
O14	C18	C19	H28	176.8°	177.6°
H27	C18	C19	C20	64.7°	62.4°
H27	C18	C19	O15	176.0°	177.5°
H27	C18	C19	H28	55.9°	57.5°
H27	C18	O14	H34	59.9°	59.9°
C20	C19	O15	H28	118.2°	120.0°
C19	C20	H29	H30	120.0°	120.0°
C19	C20	H29	H31	120.0°	120.0°
C19	C20	H30	H31	120.0°	119.9°
O15	C19	C20	H29	59.3°	175.3°
O15	C19	C20	H30	60.7°	55.2°
O15	C19	C20	H31	179.3°	64.7°
C19	O15	C15	O7	64.5°	58.8°
H28	C19	C20	H29	59.5°	55.2°
H28	C19	C20	H30	179.5°	64.9°
H28	C19	C20	H31	60.5°	175.2°
H29	C20	H30	H31	120.0°	120.0°
C22	C21	O19	H35	117.9°	119.9°
C22	C21	O19	O2	120.8°	120.0°
C22	C21	H35	O2	118.6°	120.0°
C21	C22	C23	O16	120.7°	119.9°
C21	C22	C23	H36	118.4°	119.9°
C21	C22	O16	H36	119.8°	120.2°
C21	C22	C23	C24	56.4°	57.0°
C21	C22	C23	O17	177.0°	176.8°
C21	C22	C23	H37	62.3°	62.9°
C22	C21	O19	C25	61.8°	61.2°
C21	C22	O16	H43	8.6°	60.0°
O19	C21	H35	O2	122.5°	120.1°
O19	C21	C22	C23	58.9°	57.6°
O19	C21	C22	O16	179.8°	177.5°
O19	C21	C22	H36	59.4°	62.3°
C21	O19	C25	C24	59.2°	61.2°
C21	O19	C25	C26	177.9°	178.9°
C21	O19	C25	H39	59.9°	58.8°
H35	C21	C22	C23	177.7°	177.6°
H35	C21	C22	O16	61.4°	62.5°
H35	C21	C22	H36	59.4°	57.7°
H35	C21	O19	C25	179.7°	178.9°
C23	C22	O16	H36	120.0°	120.2°
C22	C23	C24	O17	120.7°	119.8°
C22	C23	C24	H37	118.8°	119.9°
C22	C23	O17	H37	119.7°	120.2°
C22	C23	C24	C25	54.5°	57.0°
C22	C23	C24	O18	65.9°	62.9°
C22	C23	C24	H38	173.7°	176.8°
C23	C22	O16	H43	111.5°	179.7°
C22	C23	O17	H44	180.0°	60.0°
C23	C22	C21	O2	63.4°	62.4°
O16	C22	C23	C24	177.1°	176.9°
O16	C22	C23	O17	62.3°	63.3°
O16	C22	C23	H37	58.3°	57.0°
O16	C22	C21	O2	57.5°	57.5°
H36	C22	C23	C24	61.9°	62.9°
H36	C22	C23	O17	58.6°	56.9°
H36	C22	C23	H37	179.3°	177.2°
H36	C22	O16	H43	128.4°	60.1°
H36	C22	C21	O2	178.3°	177.7°
C24	C23	O17	H37	119.6°	120.3°
C23	C24	C25	O18	120.1°	119.9°
C23	C24	C25	H38	119.2°	119.8°
C23	C24	O18	H38	119.4°	120.2°
C23	C24	C25	C26	173.7°	177.6°
C23	C24	C25	O19	54.1°	57.6°
C23	C24	C25	H39	65.8°	62.4°
C24	C23	O17	H44	59.4°	179.5°
C23	C24	O18	H45	180.0°	180.0°
O17	C23	C24	C25	175.2°	176.8°
O17	C23	C24	O18	54.7°	56.9°
O17	C23	C24	H38	65.6°	63.3°
H37	C23	C24	C25	64.3°	62.9°
H37	C23	C24	O18	175.3°	177.2°
H37	C23	C24	H38	54.9°	56.9°
H37	C23	O17	H44	60.3°	60.2°
C25	C24	O18	H38	119.7°	120.1°
C24	C25	C26	O19	121.1°	119.9°
C24	C25	C26	H39	120.4°	120.0°
C24	C25	O19	H39	119.2°	120.0°
C24	C25	C26	H40	180.0°	60.0°
C24	C25	C26	H41	60.0°	180.0°
C24	C25	C26	H42	60.0°	60.0°
C25	C24	O18	H45	59.1°	60.3°
O18	C24	C25	C26	53.6°	57.7°
O18	C24	C25	O19	66.0°	62.3°
O18	C24	C25	H39	174.2°	177.7°
H38	C24	C25	C26	67.1°	62.5°
H38	C24	C25	O19	173.3°	177.5°
H38	C24	C25	H39	53.5°	57.5°
H38	C24	O18	H45	60.6°	59.8°
C26	C25	O19	H39	117.9°	120.1°
C25	C26	H40	H41	120.0°	120.0°
C25	C26	H40	H42	120.0°	120.1°
C25	C26	H41	H42	120.0°	120.0°
O19	C25	C26	H40	59.0°	180.0°
O19	C25	C26	H41	61.0°	60.1°
O19	C25	C26	H42	179.0°	59.9°
C25	O19	C21	O2	59.0°	58.8°
H39	C25	C26	H40	59.6°	59.9°
H39	C25	C26	H41	179.6°	60.0°
H39	C25	C26	H42	60.4°	NaN°
H40	C26	H41	H42	120.0°	120.0°

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