PRD_002470

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.51Å
C1	O1	sing	1.43Å	1.41Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	C3	sing	1.54Å	1.51Å
C2	O2	sing	1.43Å	1.47Å
C2	O5	sing	1.44Å	1.40Å
C3	C4	sing	1.55Å	1.39Å
C3	O3	sing	1.43Å	1.40Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.55Å	1.47Å
C4	O4	sing	1.43Å	1.43Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.48Å
C5	O5	sing	1.44Å	1.40Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.40Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
O1	H8	sing	0.97Å	0.95Å
O3	H9	sing	0.97Å	0.95Å
O6	H10	sing	0.97Å	0.95Å
C7	C8	sing	1.53Å	1.52Å
C7	O10	sing	1.43Å	1.42Å
C7	H11	sing	1.09Å	1.10Å
C8	C9	sing	1.53Å	1.51Å
C8	O7	sing	1.43Å	1.41Å
C8	H12	sing	1.09Å	1.10Å
C9	C10	sing	1.53Å	1.45Å
C9	O8	sing	1.43Å	1.45Å
C9	H13	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.52Å
C10	O9	sing	1.43Å	1.45Å
C10	H14	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.46Å
C11	O10	sing	1.43Å	1.51Å
C11	H15	sing	1.09Å	1.10Å
C12	O11	sing	1.43Å	1.39Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
O7	H18	sing	0.97Å	0.95Å
O8	H19	sing	0.97Å	0.95Å
O9	H20	sing	0.97Å	0.95Å
O11	H21	sing	0.97Å	0.95Å
C16	O17	sing	1.43Å	1.42Å
C16	C15	sing	1.53Å	1.52Å
O17	C17	sing	1.43Å	1.42Å
O18	C17	sing	1.43Å	1.37Å
C17	C13	sing	1.53Å	1.51Å
C15	O16	sing	1.43Å	1.43Å
C15	C14	sing	1.53Å	1.42Å
C14	C13	sing	1.53Å	1.42Å
C14	O15	sing	1.43Å	1.47Å
C13	O14	sing	1.43Å	1.46Å
O14	P1	sing	1.61Å	1.58Å
P1	O13	doub	1.48Å	1.50Å
P1	O12	sing	1.61Å	1.50Å
O12	H22	sing	0.97Å	0.95Å
C13	H23	sing	1.09Å	1.10Å
C14	H24	sing	1.09Å	1.10Å
O15	H25	sing	0.97Å	0.95Å
C15	H26	sing	1.09Å	1.10Å
O16	H27	sing	0.97Å	0.95Å
C16	H28	sing	1.09Å	1.10Å
C16	H29	sing	1.09Å	1.10Å
C17	H30	sing	1.09Å	1.10Å
O18	H31	sing	0.97Å	0.95Å
O2	C7	sing	1.43Å	1.42Å
O4	P1	sing	1.61Å	1.62Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	117.8°	109.5°
C2	C1	H1	107.4°	109.4°
C2	C1	H2	107.4°	109.5°
C1	C2	C3	110.0°	109.8°
C1	C2	O2	109.1°	109.9°
C1	C2	O5	114.0°	109.8°
O1	C1	H1	107.4°	109.5°
O1	C1	H2	107.3°	109.5°
C1	O1	H8	109.5°	114.0°
H1	C1	H2	109.5°	109.5°
C3	C2	O2	106.1°	109.9°
C3	C2	O5	102.4°	107.3°
C2	C3	C4	102.8°	104.2°
C2	C3	O3	113.7°	110.5°
C2	C3	H3	108.3°	110.5°
O2	C2	O5	114.6°	110.0°
C2	O2	C7	121.4°	114.0°
C2	O5	C5	109.3°	107.0°
C4	C3	O3	112.2°	110.4°
C4	C3	H3	109.9°	110.5°
C3	C4	C5	103.4°	102.1°
C3	C4	O4	109.5°	110.9°
C3	C4	H4	112.2°	110.9°
O3	C3	H3	109.7°	110.5°
C3	O3	H9	109.5°	114.0°
C5	C4	O4	109.2°	110.9°
C5	C4	H4	110.8°	110.9°
C4	C5	C6	109.5°	110.6°
C4	C5	O5	105.6°	103.5°
C4	C5	H5	109.2°	110.6°
O4	C4	H4	111.5°	110.8°
C4	O4	P1	123.1°	123.0°
C6	C5	O5	112.9°	110.7°
C6	C5	H5	109.1°	110.6°
C5	C6	O6	117.6°	109.5°
C5	C6	H6	107.4°	109.4°
C5	C6	H7	107.4°	109.4°
O5	C5	H5	110.3°	110.7°
O6	C6	H6	107.4°	109.5°
O6	C6	H7	107.4°	109.5°
C6	O6	H10	109.5°	114.0°
H6	C6	H7	109.5°	109.5°
C8	C7	O10	112.8°	109.4°
C8	C7	H11	106.6°	109.4°
C7	C8	C9	114.5°	109.1°
C7	C8	O7	110.6°	109.5°
C7	C8	H12	105.8°	109.5°
C8	C7	O2	111.0°	109.5°
O10	C7	H11	107.7°	109.5°
C7	O10	C11	117.7°	114.1°
O10	C7	O2	110.8°	109.5°
H11	C7	O2	107.7°	109.5°
C9	C8	O7	112.3°	109.6°
C9	C8	H12	105.9°	109.5°
C8	C9	C10	119.8°	109.1°
C8	C9	O8	111.6°	109.6°
C8	C9	H13	104.5°	109.5°
O7	C8	H12	107.0°	109.6°
C8	O7	H18	109.5°	114.0°
C10	C9	O8	109.1°	109.5°
C10	C9	H13	105.2°	109.6°
C9	C10	C11	118.1°	109.2°
C9	C10	O9	109.4°	109.5°
C9	C10	H14	104.3°	109.6°
O8	C9	H13	105.2°	109.6°
C9	O8	H19	109.5°	113.9°
C11	C10	O9	115.3°	109.5°
C11	C10	H14	103.6°	109.5°
C10	C11	C12	117.7°	109.5°
C10	C11	O10	113.8°	109.4°
C10	C11	H15	104.8°	109.4°
O9	C10	H14	104.3°	109.5°
C10	O9	H20	109.5°	114.0°
C12	C11	O10	109.0°	109.5°
C12	C11	H15	105.5°	109.5°
C11	C12	O11	119.0°	109.5°
C11	C12	H16	107.0°	109.5°
C11	C12	H17	107.0°	109.5°
O10	C11	H15	104.9°	109.5°
O11	C12	H16	107.0°	109.4°
O11	C12	H17	107.0°	109.4°
C12	O11	H21	109.5°	114.0°
H16	C12	H17	109.5°	109.5°
O17	C16	C15	114.1°	109.4°
C16	O17	C17	116.2°	114.2°
O17	C16	H28	108.3°	109.4°
O17	C16	H29	108.3°	109.5°
C16	C15	O16	108.2°	109.6°
C16	C15	C14	115.2°	109.2°
C16	C15	H26	106.6°	109.6°
C15	C16	H28	108.3°	109.5°
C15	C16	H29	108.3°	109.5°
O17	C17	O18	107.7°	109.5°
O17	C17	C13	112.8°	109.4°
O17	C17	H30	109.7°	109.4°
O18	C17	C13	107.7°	109.5°
O18	C17	H30	110.3°	109.6°
C17	O18	H31	109.5°	114.0°
C17	C13	C14	112.2°	109.2°
C17	C13	O14	110.7°	109.5°
C17	C13	H23	107.6°	109.5°
C13	C17	H30	108.5°	109.4°
O16	C15	C14	111.1°	109.5°
O16	C15	H26	107.7°	109.5°
C15	O16	H27	109.5°	114.0°
C15	C14	C13	116.2°	109.0°
C15	C14	O15	111.2°	109.6°
C15	C14	H24	107.1°	109.7°
C14	C15	H26	107.7°	109.5°
C13	C14	O15	108.2°	109.5°
C14	C13	O14	109.3°	109.5°
C14	C13	H23	108.7°	109.5°
C13	C14	H24	107.2°	109.5°
O15	C14	H24	106.5°	109.5°
C14	O15	H25	109.5°	114.0°
C13	O14	P1	124.0°	123.0°
O14	C13	H23	108.2°	109.6°
O14	P1	O13	111.1°	109.5°
O14	P1	O12	106.8°	109.5°
O14	P1	O4	112.3°	109.5°
O13	P1	O12	110.4°	109.5°
O13	P1	O4	104.3°	109.4°
P1	O12	H22	109.5°	114.0°
O12	P1	O4	111.9°	109.5°
H28	C16	H29	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	H1	121.2°	119.9°
C2	C1	O1	H2	121.2°	120.0°
C2	C1	H1	H2	116.2°	120.0°
C1	C2	C3	O2	117.9°	121.0°
C1	C2	C3	O5	121.6°	119.4°
C1	C2	O2	O5	129.3°	121.0°
C1	C2	C3	C4	158.9°	117.4°
C1	C2	C3	O3	79.6°	124.0°
C1	C2	C3	H3	42.6°	1.3°
C1	C2	O5	C5	138.4°	92.9°
C2	C1	O1	H8	180.0°	179.9°
C1	C2	O2	C7	82.6°	66.8°
O1	C1	H1	H2	116.2°	120.0°
O1	C1	C2	C3	90.9°	173.1°
O1	C1	C2	O2	25.2°	65.9°
O1	C1	C2	O5	154.8°	55.3°
H1	C1	C2	C3	30.3°	67.0°
H1	C1	C2	O2	146.4°	54.1°
H1	C1	C2	O5	84.0°	175.2°
H1	C1	O1	H8	58.8°	60.0°
H2	C1	C2	C3	147.9°	53.1°
H2	C1	C2	O2	96.0°	174.1°
H2	C1	C2	O5	33.6°	64.7°
H2	C1	O1	H8	58.8°	60.0°
C3	C2	O2	O5	112.2°	118.0°
C2	C3	C4	O3	122.5°	118.6°
C2	C3	C4	H3	115.1°	118.7°
C2	C3	O3	H3	121.4°	122.7°
C2	C3	C4	C5	39.7°	20.9°
C2	C3	C4	O4	155.9°	139.1°
C2	C3	C4	H4	79.7°	97.3°
C3	C2	O5	C5	19.6°	26.4°
C2	C3	O3	H9	180.0°	180.0°
C3	C2	O2	C7	158.9°	172.2°
O2	C2	C3	C4	83.2°	121.6°
O2	C2	C3	O3	38.3°	3.0°
O2	C2	C3	H3	160.5°	119.7°
O2	C2	O5	C5	94.9°	146.0°
C2	O2	C7	C8	141.9°	169.6°
C2	O2	C7	O10	91.9°	70.5°
C2	O2	C7	H11	25.6°	49.6°
O5	C2	C3	C4	37.3°	2.0°
O5	C2	C3	O3	158.8°	116.6°
O5	C2	C3	H3	79.0°	120.7°
C2	O5	C5	C4	4.1°	40.0°
C2	O5	C5	C6	123.8°	158.5°
C2	O5	C5	H5	113.8°	78.5°
O5	C2	O2	C7	46.7°	54.2°
C4	C3	O3	H3	122.5°	122.6°
C3	C4	C5	O4	116.4°	118.2°
C3	C4	C5	H4	120.4°	118.2°
C3	C4	O4	H4	124.7°	123.7°
C3	C4	C5	C6	150.3°	155.5°
C3	C4	C5	O5	28.4°	37.0°
C3	C4	C5	H5	90.2°	81.6°
C4	C3	O3	H9	63.9°	65.3°
C3	C4	O4	P1	143.3°	120.0°
O3	C3	C4	C5	162.3°	139.6°
O3	C3	C4	O4	81.5°	102.2°
O3	C3	C4	H4	42.8°	21.3°
H3	C3	C4	C5	75.4°	97.8°
H3	C3	C4	O4	40.9°	20.4°
H3	C3	C4	H4	165.2°	143.9°
H3	C3	O3	H9	58.6°	57.3°
C5	C4	O4	H4	122.8°	123.6°
C4	C5	C6	O5	117.4°	114.1°
C4	C5	C6	H5	119.5°	122.9°
C4	C5	O5	H5	117.9°	118.5°
C4	C5	C6	O6	130.1°	175.0°
C4	C5	C6	H6	108.7°	55.0°
C4	C5	C6	H7	9.0°	65.0°
C5	C4	O4	P1	104.2°	127.3°
O4	C4	C5	C6	93.2°	86.2°
O4	C4	C5	O5	144.9°	155.2°
O4	C4	C5	H5	26.2°	36.6°
C4	O4	P1	O14	82.7°	174.9°
C4	O4	P1	O13	157.0°	55.0°
C4	O4	P1	O12	37.5°	65.0°
H4	C4	C5	C6	30.0°	37.3°
H4	C4	C5	O5	91.9°	81.2°
H4	C4	C5	H5	149.4°	160.2°
H4	C4	O4	P1	18.5°	3.7°
C6	C5	O5	H5	122.4°	122.9°
C5	C6	O6	H6	121.1°	120.0°
C5	C6	O6	H7	121.1°	119.9°
C5	C6	H6	H7	116.3°	119.9°
C5	C6	O6	H10	180.0°	180.0°
O5	C5	C6	O6	12.8°	70.9°
O5	C5	C6	H6	133.9°	169.1°
O5	C5	C6	H7	108.4°	49.1°
H5	C5	C6	O6	110.3°	52.1°
H5	C5	C6	H6	10.8°	67.9°
H5	C5	C6	H7	128.5°	172.1°
O6	C6	H6	H7	116.4°	120.1°
H6	C6	O6	H10	58.9°	60.0°
H7	C6	O6	H10	58.9°	60.1°
C8	C7	O10	H11	117.3°	120.0°
C8	C7	O10	O2	125.1°	120.0°
C8	C7	H11	O2	119.1°	120.0°
C7	C8	C9	O7	127.2°	119.9°
C7	C8	C9	H12	116.3°	119.8°
C7	C8	O7	H12	114.8°	120.1°
C7	C8	C9	C10	3.1°	57.0°
C7	C8	C9	O8	132.5°	62.9°
C7	C8	C9	H13	114.3°	176.9°
C8	C7	O10	C11	54.4°	61.2°
C7	C8	O7	H18	180.0°	60.0°
O10	C7	H11	O2	119.5°	120.1°
O10	C7	C8	C9	37.0°	57.6°
O10	C7	C8	O7	165.2°	177.5°
O10	C7	C8	H12	79.2°	62.3°
C7	O10	C11	C10	29.3°	61.2°
C7	O10	C11	C12	162.8°	178.9°
C7	O10	C11	H15	84.7°	58.8°
H11	C7	C8	C9	155.0°	177.6°
H11	C7	C8	O7	76.8°	62.5°
H11	C7	C8	H12	38.7°	57.8°
H11	C7	O10	C11	171.8°	178.9°
C9	C8	O7	H12	115.8°	120.2°
C8	C9	C10	O8	130.5°	119.9°
C8	C9	C10	H13	117.1°	119.9°
C8	C9	O8	H13	112.8°	120.2°
C8	C9	C10	C11	27.9°	57.0°
C8	C9	C10	O9	162.6°	62.9°
C8	C9	C10	H14	86.3°	176.9°
C9	C8	O7	H18	50.7°	179.7°
C8	C9	O8	H19	180.0°	60.0°
C9	C8	C7	O2	88.0°	62.4°
O7	C8	C9	C10	124.1°	176.8°
O7	C8	C9	O8	5.2°	57.0°
O7	C8	C9	H13	118.4°	63.3°
O7	C8	C7	O2	40.2°	57.5°
H12	C8	C9	C10	119.4°	62.9°
H12	C8	C9	O8	111.3°	177.3°
H12	C8	C9	H13	1.9°	57.0°
H12	C8	O7	H18	65.1°	60.1°
H12	C8	C7	O2	155.7°	177.7°
C10	C9	O8	H13	112.5°	120.2°
C9	C10	C11	O9	132.1°	119.9°
C9	C10	C11	H14	114.6°	120.0°
C9	C10	O9	H14	111.1°	120.2°
C9	C10	C11	C12	116.8°	177.6°
C9	C10	C11	O10	12.4°	57.6°
C9	C10	C11	H15	126.5°	62.4°
C10	C9	O8	H19	45.3°	179.6°
C9	C10	O9	H20	180.0°	60.0°
O8	C9	C10	C11	158.4°	62.9°
O8	C9	C10	O9	66.9°	177.2°
O8	C9	C10	H14	44.2°	57.0°
H13	C9	C10	C11	89.2°	176.9°
H13	C9	C10	O9	45.5°	57.0°
H13	C9	C10	H14	156.6°	63.2°
H13	C9	O8	H19	67.2°	60.2°
C11	C10	O9	H14	112.8°	120.2°
C10	C11	C12	O10	131.4°	119.9°
C10	C11	C12	H15	116.4°	119.9°
C10	C11	O10	H15	114.0°	119.9°
C10	C11	C12	O11	64.4°	175.0°
C10	C11	C12	H16	174.3°	55.0°
C10	C11	C12	H17	57.0°	65.0°
C11	C10	O9	H20	43.9°	179.7°
O9	C10	C11	C12	15.3°	57.7°
O9	C10	C11	O10	144.5°	62.3°
O9	C10	C11	H15	101.4°	177.7°
H14	C10	C11	C12	128.5°	62.5°
H14	C10	C11	O10	102.2°	177.5°
H14	C10	C11	H15	11.8°	57.5°
H14	C10	O9	H20	68.9°	60.2°
C12	C11	O10	H15	112.6°	120.1°
C11	C12	O11	H16	121.3°	120.1°
C11	C12	O11	H17	121.3°	120.0°
C11	C12	H16	H17	115.7°	120.0°
C11	C12	O11	H21	180.0°	180.0°
O10	C11	C12	O11	67.1°	65.1°
O10	C11	C12	H16	54.3°	174.9°
O10	C11	C12	H17	171.6°	54.9°
C11	O10	C7	O2	70.7°	58.8°
H15	C11	C12	O11	179.3°	55.0°
H15	C11	C12	H16	57.9°	65.0°
H15	C11	C12	H17	59.4°	175.0°
O11	C12	H16	H17	115.7°	119.9°
H16	C12	O11	H21	58.7°	60.0°
H17	C12	O11	H21	58.6°	60.0°
O17	C16	C15	H28	120.7°	119.9°
O17	C16	C15	H29	120.7°	120.1°
C16	O17	C17	O18	168.0°	178.9°
C16	O17	C17	C13	49.2°	61.0°
O17	C16	C15	O16	87.9°	62.3°
O17	C16	C15	C14	37.2°	57.6°
O17	C16	C15	H26	156.6°	177.5°
O17	C16	H28	H29	117.9°	120.1°
C16	O17	C17	H30	71.9°	58.8°
C15	C16	O17	C17	42.2°	61.1°
C16	C15	O16	C14	127.4°	119.7°
C16	C15	O16	H26	114.8°	120.2°
C16	C15	C14	H26	118.8°	120.0°
C16	C15	C14	C13	41.3°	57.0°
C16	C15	C14	O15	165.7°	176.9°
C16	C15	C14	H24	78.3°	62.9°
C16	C15	O16	H27	180.0°	60.2°
C15	C16	H28	H29	117.9°	120.0°
O17	C17	O18	C13	122.0°	120.0°
O17	C17	O18	H30	119.8°	120.1°
O17	C17	C13	H30	121.8°	119.9°
O17	C17	C13	C14	50.7°	57.5°
O17	C17	C13	O14	173.1°	177.4°
O17	C17	C13	H23	68.9°	62.4°
C17	O17	C16	H28	162.9°	58.8°
C17	O17	C16	H29	78.5°	178.8°
O17	C17	O18	H31	180.0°	60.1°
O18	C17	C13	H30	119.4°	120.1°
O18	C17	C13	C14	169.4°	177.5°
O18	C17	C13	O14	68.2°	62.6°
O18	C17	C13	H23	49.9°	57.6°
C17	C13	C14	C15	47.6°	56.9°
C17	C13	C14	O14	123.2°	119.9°
C17	C13	C14	H23	118.8°	119.9°
C17	C13	C14	O15	173.5°	176.8°
C17	C13	O14	H23	117.7°	120.2°
C17	C13	O14	P1	106.1°	120.1°
C17	C13	C14	H24	72.0°	63.0°
C13	C17	O18	H31	58.0°	180.0°
O16	C15	C14	H26	117.8°	120.1°
O16	C15	C14	C13	82.1°	63.0°
O16	C15	C14	O15	42.2°	56.9°
O16	C15	C14	H24	158.2°	177.2°
O16	C15	C16	H28	32.9°	177.7°
O16	C15	C16	H29	151.5°	57.7°
C15	C14	C13	O15	125.9°	119.9°
C15	C14	C13	H24	119.6°	120.0°
C15	C14	O15	H24	116.3°	120.3°
C15	C14	C13	O14	170.8°	176.9°
C15	C14	C13	H23	71.2°	63.0°
C15	C14	O15	H25	180.0°	60.5°
C14	C15	O16	H27	52.6°	180.0°
C14	C15	C16	H28	157.9°	62.3°
C14	C15	C16	H29	83.5°	177.7°
C13	C14	O15	H24	114.9°	120.1°
C14	C13	O14	H23	118.3°	120.1°
C14	C13	O14	P1	129.8°	120.2°
C13	C14	O15	H25	51.3°	180.0°
C13	C14	C15	H26	160.1°	177.0°
C14	C13	C17	H30	71.1°	62.4°
O15	C14	C13	O14	63.3°	63.2°
O15	C14	C13	H23	54.6°	56.9°
O15	C14	C15	H26	75.5°	63.2°
C13	O14	P1	O13	24.3°	55.1°
C13	O14	P1	O12	144.8°	64.9°
O14	C13	C14	H24	51.2°	56.9°
O14	C13	C17	H30	51.3°	57.5°
C13	O14	P1	O4	92.1°	175.0°
O14	P1	O13	O12	118.3°	120.1°
O14	P1	O13	O4	121.2°	120.0°
O14	P1	O12	O4	123.4°	120.0°
O14	P1	O12	H22	120.9°	60.0°
P1	O14	C13	H23	11.5°	0.1°
O13	P1	O12	O4	115.7°	120.0°
O13	P1	O12	H22	0.0°	180.0°
H22	O12	P1	O4	115.8°	60.0°
H23	C13	C14	H24	169.1°	177.0°
H23	C13	C17	H30	169.4°	177.7°
H24	C14	O15	H25	63.7°	59.9°
H24	C14	C15	H26	40.4°	57.1°
H26	C15	O16	H27	65.2°	60.0°
H26	C15	C16	H28	82.7°	57.6°
H26	C15	C16	H29	35.9°	62.4°
H30	C17	O18	H31	60.2°	60.0°

Release date:	2023-05-24
Last modified:	2023-05-24
Processing site:	RCSB