1WV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	O21	sing	1.43Å	1.38Å
C20	C18	sing	1.53Å	1.52Å
O19	C18	sing	1.43Å	1.37Å
C18	C17	sing	1.53Å	1.50Å
C17	O16	sing	1.45Å	1.41Å
O16	C14	sing	1.34Å	1.39Å
C14	O15	doub	1.21Å	1.20Å
C14	C13	sing	1.51Å	1.49Å
C13	C12	sing	1.53Å	1.51Å
C12	C11	sing	1.53Å	1.50Å
C11	C10	sing	1.53Å	1.52Å
C10	C09	sing	1.53Å	1.52Å
C09	C08	sing	1.51Å	1.54Å
C08	C07	doub	1.31Å	1.39Å
C10	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C07	H8	sing	1.08Å	1.08Å
C08	H10	sing	1.08Å	1.08Å
C09	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C18	H16	sing	1.09Å	1.10Å
O19	H17	sing	0.97Å	0.95Å
O21	H18	sing	0.97Å	0.95Å
C07	C1	sing	1.51Å	53.49Å
C1	C2	sing	1.53Å	0.00Å
C2	C3	sing	1.53Å	0.00Å
C3	C4	sing	1.53Å	0.00Å
C4	C5	sing	1.53Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C10	H7	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C1	H20	sing	1.09Å	0.00Å
C1	H21	sing	1.09Å	0.00Å
C2	H22	sing	1.09Å	0.00Å
C2	H23	sing	1.09Å	0.00Å
C3	H24	sing	1.09Å	0.00Å
C3	H25	sing	1.09Å	0.00Å
C4	H26	sing	1.09Å	0.00Å
C4	H27	sing	1.09Å	0.00Å
C5	H28	sing	1.09Å	0.00Å
C5	H29	sing	1.09Å	0.00Å
C6	H30	sing	1.09Å	0.00Å
C6	H31	sing	1.09Å	0.00Å
C6	H32	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	C20	C18	117.5°	109.5°
O21	C20	H5	107.4°	109.5°
O21	C20	H6	107.4°	109.5°
C20	O21	H18	109.5°	114.0°
C20	C18	O19	114.5°	109.5°
C20	C18	C17	114.1°	109.5°
C18	C20	H5	107.4°	109.5°
C18	C20	H6	107.4°	109.5°
C20	C18	H16	103.4°	109.5°
O19	C18	C17	114.7°	109.4°
O19	C18	H16	104.9°	109.5°
C18	O19	H17	109.5°	114.0°
C18	C17	O16	117.6°	109.5°
C18	C17	H3	107.4°	109.5°
C18	C17	H4	107.4°	109.4°
C17	C18	H16	103.5°	109.5°
C17	O16	C14	119.9°	117.0°
O16	C17	H3	107.4°	109.5°
O16	C17	H4	107.4°	109.4°
O16	C14	O15	119.5°	120.0°
O16	C14	C13	119.6°	120.0°
O15	C14	C13	119.0°	120.0°
C14	C13	C12	117.9°	109.5°
C14	C13	H2	107.3°	109.5°
C14	C13	H9	107.3°	109.5°
C13	C12	C11	117.9°	109.4°
C12	C13	H2	107.3°	109.4°
C13	C12	H15	107.3°	109.5°
C12	C13	H9	107.3°	109.5°
C13	C12	H19	107.3°	109.4°
C12	C11	C10	117.4°	109.5°
C12	C11	H14	107.4°	109.5°
C11	C12	H15	107.3°	109.5°
C12	C11	H11	107.5°	109.5°
C11	C12	H19	107.3°	109.5°
C11	C10	C09	118.4°	109.5°
C11	C10	H1	107.2°	109.5°
C10	C11	H14	107.5°	109.4°
C11	C10	H7	107.2°	109.5°
C10	C11	H11	107.4°	109.5°
C10	C09	C08	116.9°	109.5°
C09	C10	H1	107.2°	109.5°
C10	C09	H12	107.6°	109.5°
C10	C09	H13	107.6°	109.5°
C09	C10	H7	107.2°	109.5°
C09	C08	C07	120.3°	120.0°
C09	C08	H10	119.9°	120.0°
C08	C09	H12	107.6°	109.4°
C08	C09	H13	107.6°	109.5°
C08	C07	H8	108.8°	120.0°
C07	C08	H10	119.8°	120.0°
C08	C07	C1	142.4°	120.0°
H1	C10	H7	109.5°	109.4°
H2	C13	H9	109.5°	109.5°
H3	C17	H4	109.5°	109.5°
H5	C20	H6	109.5°	109.4°
H8	C07	C1	108.8°	120.0°
H12	C09	H13	109.5°	109.5°
H14	C11	H11	109.5°	109.5°
H15	C12	H19	109.5°	109.5°
C07	C1	C2	90.0°	109.5°
C07	C1	H20	90.0°	109.5°
C07	C1	H21	90.0°	109.4°
C1	C2	C3	90.0°	109.5°
C2	C1	H20	90.0°	109.5°
C2	C1	H21	90.0°	109.5°
C1	C2	H22	90.0°	109.5°
C1	C2	H23	90.0°	109.5°
C2	C3	C4	90.0°	109.5°
C3	C2	H22	90.0°	109.4°
C3	C2	H23	90.0°	109.4°
C2	C3	H24	90.0°	109.5°
C2	C3	H25	90.0°	109.5°
C3	C4	C5	90.0°	109.5°
C4	C3	H24	90.0°	109.4°
C4	C3	H25	90.0°	109.5°
C3	C4	H26	90.0°	109.4°
C3	C4	H27	90.0°	109.5°
C4	C5	C6	90.0°	109.5°
C5	C4	H26	90.0°	109.4°
C5	C4	H27	90.0°	109.5°
C4	C5	H28	90.0°	109.4°
C4	C5	H29	90.0°	109.4°
C6	C5	H28	90.0°	109.5°
C6	C5	H29	90.0°	109.5°
C5	C6	H30	90.0°	109.5°
C5	C6	H31	90.0°	109.5°
C5	C6	H32	90.0°	109.4°
H20	C1	H21	90.0°	109.5°
H22	C2	H23	90.0°	109.5°
H24	C3	H25	90.0°	109.4°
H26	C4	H27	90.0°	109.5°
H28	C5	H29	90.0°	109.5°
H30	C6	H31	90.0°	109.6°
H30	C6	H32	90.0°	109.4°
H31	C6	H32	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	C20	C18	H5	121.1°	120.0°
O21	C20	C18	H6	121.2°	120.0°
O21	C20	C18	O19	138.4°	65.0°
O21	C20	C18	C17	86.7°	175.0°
O21	C20	H5	H6	116.3°	120.0°
O21	C20	C18	H16	24.9°	55.0°
C20	C18	O19	C17	134.7°	120.0°
C20	C18	O19	H16	112.6°	120.0°
C20	C18	C17	H16	111.5°	120.1°
C20	C18	C17	O16	173.7°	175.0°
C20	C18	C17	H3	52.5°	65.0°
C20	C18	C17	H4	65.2°	55.1°
C18	C20	H5	H6	116.4°	120.0°
C20	C18	O19	H17	180.0°	59.9°
C18	C20	O21	H18	180.0°	180.0°
O19	C18	C17	H16	113.6°	120.0°
O19	C18	C17	O16	51.5°	65.0°
O19	C18	C17	H3	172.6°	55.0°
O19	C18	C17	H4	69.7°	175.0°
O19	C18	C20	H5	100.5°	55.0°
O19	C18	C20	H6	17.2°	175.0°
C18	C17	O16	H3	121.2°	120.0°
C18	C17	O16	H4	121.2°	119.9°
C18	C17	O16	C14	146.7°	180.0°
C18	C17	H3	H4	116.3°	120.0°
C17	C18	C20	H5	34.5°	64.9°
C17	C18	C20	H6	152.2°	55.0°
C17	C18	O19	H17	45.4°	60.0°
C17	O16	C14	O15	5.4°	0.0°
C17	O16	C14	C13	169.8°	180.0°
O16	C17	H3	H4	116.3°	120.0°
O16	C17	C18	H16	62.1°	54.9°
O16	C14	O15	C13	164.5°	180.0°
O16	C14	C13	C12	145.8°	180.0°
O16	C14	C13	H2	93.0°	60.0°
C14	O16	C17	H3	25.5°	60.0°
C14	O16	C17	H4	92.1°	60.0°
O16	C14	C13	H9	24.6°	60.0°
O15	C14	C13	C12	18.7°	0.1°
O15	C14	C13	H2	102.5°	120.0°
O15	C14	C13	H9	139.9°	120.0°
C14	C13	C12	H2	121.2°	120.0°
C14	C13	C12	H9	121.2°	120.1°
C14	C13	C12	C11	164.1°	180.0°
C14	C13	H2	H9	116.2°	120.0°
C14	C13	C12	H15	42.9°	59.9°
C14	C13	C12	H19	74.7°	60.0°
C13	C12	C11	H15	121.2°	120.0°
C13	C12	C11	H19	121.2°	119.9°
C13	C12	C11	C10	149.6°	180.0°
C12	C13	H2	H9	116.2°	120.0°
C13	C12	C11	H14	89.3°	60.1°
C13	C12	H15	H19	116.1°	120.0°
C13	C12	C11	H11	28.4°	60.0°
C12	C11	C10	H14	121.1°	120.0°
C12	C11	C10	H11	121.1°	120.1°
C12	C11	C10	C09	160.0°	180.0°
C12	C11	C10	H1	78.7°	60.0°
C11	C12	C13	H2	74.7°	60.0°
C12	C11	H14	H11	116.4°	120.1°
C11	C12	H15	H19	116.2°	120.1°
C12	C11	C10	H7	38.8°	59.9°
C11	C12	C13	H9	42.9°	59.9°
C11	C10	C09	H1	121.3°	120.0°
C11	C10	C09	H7	121.3°	120.0°
C11	C10	C09	C08	177.2°	180.0°
C11	C10	H1	H7	115.9°	120.0°
C11	C10	C09	H12	56.2°	60.0°
C11	C10	C09	H13	61.7°	60.0°
C10	C11	H14	H11	116.4°	120.0°
C10	C11	C12	H15	28.3°	60.0°
C10	C11	C12	H19	89.3°	60.0°
C10	C09	C08	H12	121.1°	120.0°
C10	C09	C08	H13	121.1°	120.0°
C10	C09	C08	C07	124.2°	126.3°
C09	C10	H1	H7	115.9°	120.0°
C10	C09	C08	H10	55.8°	53.7°
C10	C09	H12	H13	116.6°	120.0°
C09	C10	C11	H14	38.9°	60.0°
C09	C10	C11	H11	78.8°	60.0°
C09	C08	C07	H10	180.0°	180.0°
C08	C09	C10	H1	61.5°	60.0°
C09	C08	C07	H8	106.3°	172.4°
C08	C09	H12	H13	116.6°	120.0°
C09	C08	C07	C1	73.7°	7.5°
C08	C09	C10	H7	55.9°	60.0°
C08	C07	H8	C1	180.0°	180.0°
C07	C08	C09	H12	3.1°	6.4°
C07	C08	C09	H13	114.8°	113.7°
C08	C07	C1	C2	90.0°	127.6°
C08	C07	C1	H20	90.0°	112.4°
C08	C07	C1	H21	90.0°	7.6°
H1	C10	C09	H12	177.5°	60.0°
H1	C10	C09	H13	59.6°	179.9°
H1	C10	C11	H14	160.2°	180.0°
H1	C10	C11	H11	42.5°	60.1°
H2	C13	C12	H15	164.1°	60.0°
H2	C13	C12	H19	46.5°	NaN°
H3	C17	C18	H16	59.0°	175.0°
H4	C17	C18	H16	176.7°	65.0°
H5	C20	C18	H16	146.1°	175.0°
H5	C20	O21	H18	58.9°	60.0°
H6	C20	C18	H16	96.2°	65.0°
H6	C20	O21	H18	58.8°	60.0°
H8	C07	C08	H10	73.7°	7.6°
H8	C07	C1	C2	90.0°	52.4°
H8	C07	C1	H20	90.0°	67.6°
H8	C07	C1	H21	90.0°	172.4°
H10	C08	C09	H12	176.9°	173.6°
H10	C08	C09	H13	65.2°	66.4°
H10	C08	C07	C1	106.3°	172.5°
H12	C09	C10	H7	65.1°	180.0°
H13	C09	C10	H7	177.0°	60.0°
H14	C11	C12	H15	149.5°	60.0°
H14	C11	C10	H7	82.3°	60.0°
H14	C11	C12	H19	31.9°	NaN°
H15	C12	C13	H9	78.3°	180.0°
H15	C12	C11	H11	92.8°	180.0°
H16	C18	O19	H17	67.4°	180.0°
C07	C1	C2	H20	90.0°	120.0°
C07	C1	C2	H21	90.0°	119.9°
C07	C1	C2	C3	90.0°	180.0°
C07	C1	H20	H21	90.0°	119.9°
C07	C1	C2	H22	90.0°	60.0°
C07	C1	C2	H23	90.0°	60.1°
C1	C2	C3	H22	90.0°	120.0°
C1	C2	C3	H23	90.0°	120.0°
C1	C2	C3	C4	90.0°	180.0°
C2	C1	H20	H21	90.0°	120.0°
C1	C2	H22	H23	90.0°	120.1°
C1	C2	C3	H24	90.0°	60.0°
C1	C2	C3	H25	90.0°	60.0°
C2	C3	C4	H24	90.0°	120.0°
C2	C3	C4	H25	90.0°	120.1°
C2	C3	C4	C5	90.0°	180.0°
C3	C2	C1	H20	90.0°	60.0°
C3	C2	C1	H21	90.0°	60.0°
C3	C2	H22	H23	90.0°	120.0°
C2	C3	H24	H25	90.0°	120.0°
C2	C3	C4	H26	90.0°	60.0°
C2	C3	C4	H27	90.0°	60.0°
C3	C4	C5	H26	90.0°	120.0°
C3	C4	C5	H27	90.0°	120.0°
C3	C4	C5	C6	90.0°	180.0°
C4	C3	C2	H22	90.0°	60.0°
C4	C3	C2	H23	90.0°	60.0°
C4	C3	H24	H25	90.0°	120.0°
C3	C4	H26	H27	90.0°	120.0°
C3	C4	C5	H28	90.0°	60.0°
C3	C4	C5	H29	90.0°	60.0°
C4	C5	C6	H28	90.0°	120.0°
C4	C5	C6	H29	90.0°	120.0°
C5	C4	C3	H24	90.0°	60.0°
C5	C4	C3	H25	90.0°	59.9°
C5	C4	H26	H27	90.0°	120.0°
C4	C5	H28	H29	90.0°	120.0°
C4	C5	C6	H30	90.0°	179.9°
C4	C5	C6	H31	90.0°	60.0°
C4	C5	C6	H32	90.0°	60.0°
C6	C5	C4	H26	90.0°	60.0°
C6	C5	C4	H27	90.0°	60.0°
C6	C5	H28	H29	90.0°	120.0°
C5	C6	H30	H31	90.0°	120.1°
C5	C6	H30	H32	90.0°	119.9°
C5	C6	H31	H32	90.0°	119.9°
H7	C10	C11	H11	159.9°	180.0°
H9	C13	C12	H19	164.1°	60.0°
H11	C11	C12	H19	149.6°	60.0°
H20	C1	C2	H22	90.0°	180.0°
H20	C1	C2	H23	90.0°	60.0°
H21	C1	C2	H22	90.0°	59.9°
H21	C1	C2	H23	90.0°	NaN°
H22	C2	C3	H24	90.0°	180.0°
H22	C2	C3	H25	90.0°	60.0°
H23	C2	C3	H24	90.0°	60.0°
H23	C2	C3	H25	90.0°	180.0°
H24	C3	C4	H26	90.0°	179.9°
H24	C3	C4	H27	90.0°	60.1°
H25	C3	C4	H26	90.0°	60.0°
H25	C3	C4	H27	90.0°	180.0°
H26	C4	C5	H28	90.0°	180.0°
H26	C4	C5	H29	90.0°	60.0°
H27	C4	C5	H28	90.0°	60.0°
H27	C4	C5	H29	90.0°	180.0°
H28	C5	C6	H30	90.0°	59.9°
H28	C5	C6	H31	90.0°	179.9°
H28	C5	C6	H32	90.0°	60.0°
H29	C5	C6	H30	90.0°	60.1°
H29	C5	C6	H31	90.0°	60.0°
H29	C5	C6	H32	90.0°	180.0°
H30	C6	H31	H32	90.0°	120.0°

Release date:	2013-09-25
Definition date:	2013-07-12
Last modified:	2013-09-20
Release status:	REL
Processing site:	RCSB
Derived from:	4LDE