6A4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S4	P1	doub	1.99Å	1.96Å
S5	P1	sing	1.99Å	1.95Å
P1	O2	sing	1.63Å	1.61Å
P1	O1	sing	1.63Å	1.60Å
O2	C2	sing	1.44Å	1.43Å
O1	C1	sing	1.45Å	1.43Å
C1	C2	sing	1.53Å	1.53Å
C1	C3	sing	1.53Å	1.51Å
C3	O3	sing	1.45Å	1.44Å
O18	C4	doub	1.21Å	1.22Å
O3	C4	sing	1.34Å	1.45Å
C4	C5	sing	1.51Å	1.50Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.53Å
C8	C9	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.54Å
C14	C13	sing	1.53Å	1.53Å
C14	C15	sing	1.53Å	1.54Å
C16	C15	sing	1.53Å	1.54Å
C16	C17	sing	1.53Å	1.52Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C10	H19	sing	1.09Å	1.10Å
C11	H20	sing	1.09Å	1.10Å
C11	H21	sing	1.09Å	1.10Å
C12	H22	sing	1.09Å	1.10Å
C12	H23	sing	1.09Å	1.10Å
C13	H24	sing	1.09Å	1.10Å
C13	H25	sing	1.09Å	1.10Å
C14	H26	sing	1.09Å	1.10Å
C14	H27	sing	1.09Å	1.10Å
C15	H28	sing	1.09Å	1.10Å
C15	H29	sing	1.09Å	1.10Å
C16	H30	sing	1.09Å	1.10Å
C16	H31	sing	1.09Å	1.10Å
C17	H32	sing	1.09Å	1.10Å
C17	H33	sing	1.09Å	1.10Å
C17	H34	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S4	P1	S5	112.0°	110.8°
S4	P1	O2	108.9°	110.9°
S4	P1	O1	120.6°	110.9°
S5	P1	O2	112.3°	110.9°
S5	P1	O1	104.3°	110.9°
O2	P1	O1	98.1°	102.2°
P1	O2	C2	110.4°	104.8°
P1	O1	C1	102.6°	101.1°
O2	C2	C1	102.1°	110.0°
O2	C2	H3	111.3°	109.4°
O2	C2	H4	111.3°	109.4°
O1	C1	C2	104.5°	107.3°
O1	C1	C3	118.1°	109.8°
O1	C1	H5	108.0°	109.9°
C2	C1	C3	111.7°	109.9°
C1	C2	H3	111.3°	109.4°
C1	C2	H4	111.3°	109.3°
C2	C1	H5	106.8°	109.9°
C1	C3	O3	106.0°	109.5°
C3	C1	H5	107.1°	110.0°
C1	C3	H6	110.3°	109.5°
C1	C3	H7	110.4°	109.5°
C3	O3	C4	121.0°	117.0°
O3	C3	H6	110.3°	109.5°
O3	C3	H7	110.3°	109.4°
O18	C4	O3	119.3°	120.0°
O18	C4	C5	120.7°	120.0°
O3	C4	C5	120.0°	120.0°
C4	C5	C6	110.2°	109.5°
C4	C5	H8	109.3°	109.5°
C4	C5	H9	109.3°	109.5°
C5	C6	C7	113.0°	109.5°
C6	C5	H8	109.3°	109.5°
C6	C5	H9	109.3°	109.4°
C5	C6	H10	108.6°	109.5°
C5	C6	H11	108.6°	109.5°
C6	C7	C8	109.3°	109.5°
C7	C6	H10	108.6°	109.5°
C7	C6	H11	108.6°	109.5°
C6	C7	H12	109.5°	109.5°
C6	C7	H13	109.5°	109.5°
C7	C8	C9	113.1°	109.5°
C8	C7	H12	109.5°	109.5°
C8	C7	H13	109.5°	109.4°
C7	C8	H14	108.6°	109.5°
C7	C8	H15	108.5°	109.4°
C8	C9	C10	111.6°	109.5°
C9	C8	H14	108.6°	109.5°
C9	C8	H15	108.6°	109.5°
C8	C9	H16	108.9°	109.5°
C8	C9	H17	108.9°	109.5°
C9	C10	C11	110.7°	109.5°
C10	C9	H16	108.9°	109.5°
C10	C9	H17	108.9°	109.5°
C9	C10	H18	109.2°	109.4°
C9	C10	H19	109.2°	109.4°
C10	C11	C12	112.2°	109.5°
C11	C10	H18	109.2°	109.5°
C11	C10	H19	109.2°	109.5°
C10	C11	H20	108.8°	109.5°
C10	C11	H21	108.8°	109.4°
C11	C12	C13	113.4°	109.5°
C12	C11	H20	108.8°	109.5°
C12	C11	H21	108.8°	109.5°
C11	C12	H22	108.5°	109.5°
C11	C12	H23	108.5°	109.5°
C12	C13	C14	112.7°	109.5°
C13	C12	H22	108.5°	109.5°
C13	C12	H23	108.5°	109.5°
C12	C13	H24	108.7°	109.4°
C12	C13	H25	108.6°	109.5°
C13	C14	C15	112.9°	109.5°
C14	C13	H24	108.7°	109.5°
C14	C13	H25	108.7°	109.5°
C13	C14	H26	108.6°	109.5°
C13	C14	H27	108.6°	109.5°
C14	C15	C16	111.1°	109.5°
C15	C14	H26	108.6°	109.5°
C15	C14	H27	108.6°	109.5°
C14	C15	H28	109.1°	109.5°
C14	C15	H29	109.0°	109.5°
C15	C16	C17	113.5°	109.5°
C16	C15	H28	109.1°	109.5°
C16	C15	H29	109.1°	109.4°
C15	C16	H30	108.5°	109.5°
C15	C16	H31	108.4°	109.4°
C17	C16	H30	108.5°	109.5°
C17	C16	H31	108.5°	109.5°
C16	C17	H32	109.5°	109.5°
C16	C17	H33	109.5°	109.4°
C16	C17	H34	109.5°	109.4°
H3	C2	H4	109.4°	109.4°
H6	C3	H7	109.5°	109.5°
H8	C5	H9	109.4°	109.5°
H10	C6	H11	109.5°	109.5°
H12	C7	H13	109.5°	109.5°
H14	C8	H15	109.5°	109.5°
H16	C9	H17	109.5°	109.5°
H18	C10	H19	109.4°	109.5°
H20	C11	H21	109.4°	109.5°
H22	C12	H23	109.5°	109.5°
H24	C13	H25	109.5°	109.5°
H26	C14	H27	109.5°	109.5°
H28	C15	H29	109.5°	109.5°
H30	C16	H31	109.5°	109.5°
H32	C17	H33	109.5°	109.5°
H32	C17	H34	109.5°	109.5°
H33	C17	H34	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S4	P1	S5	O2	122.9°	123.6°
S4	P1	S5	O1	132.0°	123.6°
S4	P1	O2	O1	126.3°	118.2°
S4	P1	O2	C2	132.1°	137.3°
S4	P1	O1	C1	149.9°	152.8°
S5	P1	O2	O1	109.1°	118.3°
S5	P1	O2	C2	103.3°	99.2°
S5	P1	O1	C1	83.3°	83.7°
O2	P1	O1	C1	32.2°	34.6°
P1	O2	C2	C1	20.9°	2.9°
P1	O2	C2	H3	97.9°	117.3°
P1	O2	C2	H4	139.7°	122.9°
O1	P1	O2	C2	5.8°	19.0°
P1	O1	C1	C2	47.6°	37.5°
P1	O1	C1	C3	172.5°	157.0°
P1	O1	C1	H5	65.9°	81.9°
O2	C2	C1	O1	43.6°	27.3°
O2	C2	C1	H3	118.8°	120.1°
O2	C2	C1	H4	118.8°	120.2°
O2	C2	C1	C3	172.4°	146.7°
O2	C2	H3	H4	123.4°	119.8°
O2	C2	C1	H5	70.7°	92.1°
O1	C1	C2	C3	128.8°	119.4°
O1	C1	C2	H5	114.3°	119.4°
O1	C1	C3	H5	122.1°	121.1°
O1	C1	C3	O3	168.5°	66.5°
O1	C1	C2	H3	75.2°	92.8°
O1	C1	C2	H4	162.4°	147.5°
O1	C1	C3	H6	49.0°	53.6°
O1	C1	C3	H7	72.1°	173.6°
C2	C1	C3	H5	116.7°	121.1°
C2	C1	C3	O3	70.3°	175.7°
C1	C2	H3	H4	123.4°	119.7°
C2	C1	C3	H6	170.3°	64.3°
C2	C1	C3	H7	49.2°	55.7°
C1	C3	O3	H6	119.5°	120.1°
C1	C3	O3	H7	119.5°	120.0°
C1	C3	O3	C4	98.4°	180.0°
C3	C1	C2	H3	53.6°	26.6°
C3	C1	C2	H4	68.7°	93.1°
C1	C3	H6	H7	121.6°	120.0°
C3	O3	C4	O18	44.2°	0.1°
C3	O3	C4	C5	135.3°	180.0°
O3	C3	C1	H5	46.4°	54.6°
O3	C3	H6	H7	121.6°	119.9°
O18	C4	O3	C5	179.5°	179.9°
O18	C4	C5	C6	138.3°	0.0°
O18	C4	C5	H8	101.6°	120.0°
O18	C4	C5	H9	18.1°	120.0°
O3	C4	C5	C6	41.2°	180.0°
C4	O3	C3	H6	21.1°	59.9°
C4	O3	C3	H7	142.2°	60.0°
O3	C4	C5	H8	78.9°	60.0°
O3	C4	C5	H9	161.3°	60.0°
C4	C5	C6	H8	120.1°	120.0°
C4	C5	C6	H9	120.1°	120.0°
C4	C5	C6	C7	96.0°	180.0°
C4	C5	H8	H9	119.7°	120.0°
C4	C5	C6	H10	24.6°	60.0°
C4	C5	C6	H11	143.5°	60.0°
C5	C6	C7	H10	120.5°	120.0°
C5	C6	C7	H11	120.5°	120.0°
C5	C6	C7	C8	165.2°	180.0°
C6	C5	H8	H9	119.7°	120.0°
C5	C6	H10	H11	118.4°	120.0°
C5	C6	C7	H12	74.8°	60.0°
C5	C6	C7	H13	45.3°	60.0°
C6	C7	C8	H12	120.0°	120.0°
C6	C7	C8	H13	120.0°	120.0°
C6	C7	C8	C9	170.4°	180.0°
C7	C6	C5	H8	143.9°	60.0°
C7	C6	C5	H9	24.2°	60.0°
C7	C6	H10	H11	118.4°	120.0°
C6	C7	H12	H13	120.1°	120.0°
C6	C7	C8	H14	49.9°	60.0°
C6	C7	C8	H15	69.0°	60.0°
C7	C8	C9	H14	120.6°	120.0°
C7	C8	C9	H15	120.5°	120.0°
C7	C8	C9	C10	154.7°	NaN°
C8	C7	C6	H10	44.7°	60.0°
C8	C7	C6	H11	74.2°	60.0°
C8	C7	H12	H13	120.1°	120.0°
C7	C8	H14	H15	118.3°	120.0°
C7	C8	C9	H16	85.0°	60.0°
C7	C8	C9	H17	34.3°	60.0°
C8	C9	C10	H16	120.3°	120.0°
C8	C9	C10	H17	120.3°	120.0°
C8	C9	C10	C11	176.0°	180.0°
C9	C8	C7	H12	69.6°	60.0°
C9	C8	C7	H13	50.4°	60.0°
C9	C8	H14	H15	118.4°	120.0°
C8	C9	H16	H17	119.0°	120.0°
C8	C9	C10	H18	63.8°	60.0°
C8	C9	C10	H19	55.8°	60.0°
C9	C10	C11	H18	120.2°	120.0°
C9	C10	C11	H19	120.2°	120.0°
C9	C10	C11	C12	105.1°	180.0°
C10	C9	C8	H14	34.1°	60.0°
C10	C9	C8	H15	84.8°	60.0°
C10	C9	H16	H17	119.0°	120.0°
C9	C10	H18	H19	119.4°	119.9°
C9	C10	C11	H20	15.3°	60.0°
C9	C10	C11	H21	134.5°	60.0°
C10	C11	C12	H20	120.4°	120.0°
C10	C11	C12	H21	120.4°	120.0°
C10	C11	C12	C13	155.2°	180.0°
C11	C10	C9	H16	55.7°	60.0°
C11	C10	C9	H17	63.7°	60.0°
C11	C10	H18	H19	119.4°	120.1°
C10	C11	H20	H21	118.7°	120.0°
C10	C11	C12	H22	84.2°	60.0°
C10	C11	C12	H23	34.6°	60.0°
C11	C12	C13	H22	120.6°	120.0°
C11	C12	C13	H23	120.6°	120.0°
C11	C12	C13	C14	94.2°	180.0°
C12	C11	C10	H18	134.7°	60.0°
C12	C11	C10	H19	15.1°	60.0°
C12	C11	H20	H21	118.8°	120.0°
C11	C12	H22	H23	118.2°	120.0°
C11	C12	C13	H24	145.3°	60.0°
C11	C12	C13	H25	26.3°	60.0°
C12	C13	C14	H24	120.5°	120.0°
C12	C13	C14	H25	120.5°	120.0°
C12	C13	C14	C15	73.0°	180.0°
C13	C12	C11	H20	34.8°	60.0°
C13	C12	C11	H21	84.4°	60.0°
C13	C12	H22	H23	118.2°	120.0°
C12	C13	H24	H25	118.5°	119.9°
C12	C13	C14	H26	166.5°	60.0°
C12	C13	C14	H27	47.5°	60.0°
C13	C14	C15	H26	120.5°	120.0°
C13	C14	C15	H27	120.5°	120.0°
C13	C14	C15	C16	178.9°	180.0°
C14	C13	C12	H22	26.4°	60.0°
C14	C13	C12	H23	145.2°	60.0°
C14	C13	H24	H25	118.5°	120.1°
C13	C14	H26	H27	118.4°	120.0°
C13	C14	C15	H28	60.8°	60.0°
C13	C14	C15	H29	58.7°	60.0°
C14	C15	C16	H28	120.2°	120.0°
C14	C15	C16	H29	120.2°	120.0°
C14	C15	C16	C17	157.6°	180.0°
C15	C14	C13	H24	47.5°	60.0°
C15	C14	C13	H25	166.5°	60.0°
C15	C14	H26	H27	118.5°	120.0°
C14	C15	H28	H29	119.2°	120.0°
C14	C15	C16	H30	81.8°	60.0°
C14	C15	C16	H31	37.0°	60.0°
C15	C16	C17	H30	120.6°	120.0°
C15	C16	C17	H31	120.6°	119.9°
C16	C15	C14	H26	58.4°	60.0°
C16	C15	C14	H27	60.6°	60.0°
C16	C15	H28	H29	119.3°	120.0°
C15	C16	H30	H31	118.2°	120.0°
C15	C16	C17	H32	180.0°	60.0°
C15	C16	C17	H33	60.0°	60.1°
C15	C16	C17	H34	60.0°	180.0°
C17	C16	C15	H28	37.3°	60.0°
C17	C16	C15	H29	82.2°	60.1°
C17	C16	H30	H31	118.2°	120.0°
C16	C17	H32	H33	120.0°	120.0°
C16	C17	H32	H34	120.0°	120.0°
C16	C17	H33	H34	120.0°	119.9°
H3	C2	C1	H5	170.4°	147.8°
H4	C2	C1	H5	48.1°	28.0°
H5	C1	C3	H6	73.1°	174.6°
H5	C1	C3	H7	165.8°	65.4°
H8	C5	C6	H10	95.6°	180.0°
H8	C5	C6	H11	23.4°	60.0°
H9	C5	C6	H10	144.7°	60.0°
H9	C5	C6	H11	96.4°	180.0°
H10	C6	C7	H12	164.7°	180.0°
H10	C6	C7	H13	75.3°	60.0°
H11	C6	C7	H12	45.7°	60.0°
H11	C6	C7	H13	165.8°	180.0°
H12	C7	C8	H14	169.8°	180.0°
H12	C7	C8	H15	50.9°	60.0°
H13	C7	C8	H14	70.1°	60.0°
H13	C7	C8	H15	171.0°	NaN°
H14	C8	C9	H16	154.4°	180.0°
H14	C8	C9	H17	86.2°	60.0°
H15	C8	C9	H16	35.5°	60.0°
H15	C8	C9	H17	154.9°	180.0°
H16	C9	C10	H18	175.9°	180.0°
H16	C9	C10	H19	64.5°	60.0°
H17	C9	C10	H18	56.6°	60.0°
H17	C9	C10	H19	176.1°	180.0°
H18	C10	C11	H20	104.9°	180.0°
H18	C10	C11	H21	14.2°	59.9°
H19	C10	C11	H20	135.5°	60.0°
H19	C10	C11	H21	105.3°	180.0°
H20	C11	C12	H22	155.4°	180.0°
H20	C11	C12	H23	85.8°	60.0°
H21	C11	C12	H22	36.2°	60.0°
H21	C11	C12	H23	155.0°	180.0°
H22	C12	C13	H24	94.1°	180.0°
H22	C12	C13	H25	146.9°	60.0°
H23	C12	C13	H24	24.7°	60.1°
H23	C12	C13	H25	94.3°	180.0°
H24	C13	C14	H26	73.0°	180.0°
H24	C13	C14	H27	168.0°	60.0°
H25	C13	C14	H26	46.0°	60.0°
H25	C13	C14	H27	73.0°	180.0°
H26	C14	C15	H28	178.7°	180.0°
H26	C14	C15	H29	61.8°	59.9°
H27	C14	C15	H28	59.7°	60.0°
H27	C14	C15	H29	179.2°	179.9°
H28	C15	C16	H30	157.9°	180.0°
H28	C15	C16	H31	83.2°	60.0°
H29	C15	C16	H30	38.4°	60.0°
H29	C15	C16	H31	157.2°	180.0°
H30	C16	C17	H32	59.4°	180.0°
H30	C16	C17	H33	179.4°	60.0°
H30	C16	C17	H34	60.6°	60.0°
H31	C16	C17	H32	59.4°	59.9°
H31	C16	C17	H33	60.6°	180.0°
H31	C16	C17	H34	179.4°	60.1°
H32	C17	H33	H34	120.0°	120.1°

Release date:	2016-05-11
Definition date:	2016-02-25
Last modified:	2016-05-06
Release status:	REL
Processing site:	EBI
Derived from:	5ID9