LBL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	O6	sing	1.43Å	1.41Å
C7	C6	sing	1.53Å	1.50Å
O7	C8	sing	1.43Å	1.42Å
C6	C8	sing	1.53Å	1.51Å
C6	O5	sing	1.43Å	1.43Å
C8	C9	sing	1.53Å	1.52Å
O3	C3	sing	1.43Å	1.41Å
O5	C5	sing	1.43Å	1.42Å
O1	C1	doub	1.21Å	1.11Å
C9	O8	sing	1.43Å	1.42Å
C9	C10	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C2	C1	sing	1.51Å	1.51Å
C2	O2	sing	1.43Å	1.40Å
C5	C10	sing	1.53Å	1.53Å
C5	O4	sing	1.43Å	1.40Å
C10	O9	sing	1.43Å	1.42Å
C4	O4	sing	1.43Å	1.45Å
C4	C11	sing	1.53Å	1.52Å
C11	O10	sing	1.43Å	1.42Å
C11	C12	sing	1.53Å	1.52Å
C12	O11	sing	1.43Å	1.42Å
C1	H1	sing	1.08Å	1.08Å
C10	H16	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å
C12	H20	sing	1.09Å	1.10Å
C12	H21	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
O10	H19	sing	0.97Å	0.95Å
O11	H22	sing	0.97Å	0.95Å
O2	H3	sing	0.97Å	0.95Å
O3	H5	sing	0.97Å	0.95Å
O6	H11	sing	0.97Å	0.95Å
O7	H13	sing	0.97Å	0.95Å
O8	H15	sing	0.97Å	0.95Å
O9	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C7	C6	111.5°	109.5°
O6	C7	H10	109.0°	109.5°
O6	C7	H9	109.0°	109.5°
C7	O6	H11	109.5°	114.0°
C7	C6	C8	112.1°	109.5°
C7	C6	O5	107.8°	109.5°
C7	C6	H8	109.0°	109.5°
C6	C7	H10	109.0°	109.5°
C6	C7	H9	109.0°	109.5°
O7	C8	C6	110.2°	109.5°
O7	C8	C9	108.6°	109.6°
O7	C8	H12	110.7°	109.5°
C8	O7	H13	109.5°	114.0°
C8	C6	O5	109.2°	109.4°
C6	C8	C9	108.8°	109.2°
C8	C6	H8	108.9°	109.5°
C6	C8	H12	109.4°	109.5°
C6	O5	C5	112.3°	114.1°
O5	C6	H8	110.0°	109.5°
C8	C9	O8	109.9°	109.5°
C8	C9	C10	110.5°	109.0°
C9	C8	H12	109.2°	109.5°
C8	C9	H14	108.4°	109.5°
O3	C3	C2	104.4°	109.5°
O3	C3	C4	97.3°	109.5°
O3	C3	H4	109.6°	109.5°
C3	O3	H5	109.5°	114.0°
O5	C5	C10	108.7°	109.4°
O5	C5	O4	110.0°	109.5°
O5	C5	H7	110.4°	109.5°
O1	C1	C2	118.2°	120.0°
O1	C1	H1	120.9°	119.9°
O8	C9	C10	109.8°	109.6°
O8	C9	H14	109.8°	109.7°
C9	O8	H15	109.5°	113.9°
C9	C10	C5	110.6°	109.3°
C9	C10	O9	112.1°	109.5°
C9	C10	H16	107.4°	109.5°
C10	C9	H14	108.4°	109.5°
C2	C3	C4	127.9°	109.5°
C3	C2	C1	103.6°	109.5°
C3	C2	O2	115.5°	109.4°
C3	C2	H2	107.0°	109.5°
C2	C3	H4	108.1°	109.4°
C3	C4	O4	108.8°	109.5°
C3	C4	C11	116.0°	109.5°
C4	C3	H4	108.1°	109.5°
C3	C4	H6	107.1°	109.5°
C1	C2	O2	114.2°	109.5°
C2	C1	H1	120.9°	120.1°
C1	C2	H2	107.2°	109.5°
O2	C2	H2	108.7°	109.5°
C2	O2	H3	109.5°	114.0°
C10	C5	O4	108.1°	109.5°
C5	C10	O9	110.5°	109.5°
C5	C10	H16	107.4°	109.4°
C10	C5	H7	108.9°	109.4°
C5	O4	C4	119.1°	114.0°
O4	C5	H7	110.7°	109.5°
O9	C10	H16	108.7°	109.5°
C10	O9	H17	109.5°	114.0°
O4	C4	C11	109.5°	109.5°
O4	C4	H6	108.0°	109.4°
C4	C11	O10	110.1°	109.5°
C4	C11	C12	120.3°	109.5°
C4	C11	H18	104.9°	109.5°
C11	C4	H6	107.1°	109.5°
O10	C11	C12	109.2°	109.5°
O10	C11	H18	106.1°	109.4°
C11	O10	H19	109.5°	114.0°
C11	C12	O11	116.0°	109.5°
C12	C11	H18	105.1°	109.5°
C11	C12	H20	107.8°	109.5°
C11	C12	H21	107.8°	109.4°
O11	C12	H20	107.8°	109.5°
O11	C12	H21	107.8°	109.4°
C12	O11	H22	109.5°	114.0°
H20	C12	H21	109.5°	109.5°
H10	C7	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C7	C6	H10	120.3°	120.0°
O6	C7	C6	H9	120.3°	120.0°
O6	C7	C6	C8	179.5°	175.0°
O6	C7	C6	O5	59.3°	65.1°
O6	C7	C6	H8	60.0°	54.9°
O6	C7	H10	H9	119.1°	120.0°
C7	C6	C8	O7	59.9°	57.6°
C7	C6	C8	O5	119.3°	120.0°
C7	C6	C8	H8	120.6°	120.0°
C7	C6	O5	H8	118.7°	120.0°
C7	C6	C8	C9	178.8°	177.6°
C7	C6	O5	C5	171.7°	178.8°
C6	C7	H10	H9	119.1°	120.0°
C7	C6	C8	H12	62.0°	62.5°
C6	C7	O6	H11	180.0°	180.0°
O7	C8	C6	C9	118.9°	120.0°
O7	C8	C6	H12	121.9°	120.2°
O7	C8	C6	O5	59.4°	62.3°
O7	C8	C9	H12	120.8°	120.2°
O7	C8	C9	O8	55.1°	56.9°
O7	C8	C9	C10	66.2°	63.0°
O7	C8	C6	H8	179.5°	177.7°
O7	C8	C9	H14	175.1°	177.2°
C8	C6	O5	H8	119.4°	120.0°
C6	C8	C9	H12	119.3°	119.9°
C8	C6	O5	C5	66.4°	61.2°
C6	C8	C9	O8	175.0°	176.8°
C6	C8	C9	C10	53.6°	56.9°
C8	C6	C7	H10	59.2°	55.0°
C8	C6	C7	H9	60.2°	65.0°
C6	C8	C9	H14	65.0°	62.9°
C6	C8	O7	H13	180.0°	180.0°
O5	C6	C8	C9	59.4°	57.6°
C6	O5	C5	C10	63.4°	61.1°
C6	O5	C5	O4	178.4°	178.8°
C6	O5	C5	H7	56.0°	58.8°
O5	C6	C7	H10	61.0°	174.9°
O5	C6	C7	H9	179.7°	55.0°
O5	C6	C8	H12	178.7°	177.5°
C8	C9	O8	C10	121.7°	119.5°
C8	C9	O8	H14	119.2°	120.2°
C8	C9	C10	H14	118.7°	119.8°
C8	C9	C10	C5	52.1°	56.9°
C8	C9	C10	O9	175.9°	176.9°
C8	C9	C10	H16	64.8°	63.0°
C9	C8	C6	H8	60.6°	62.4°
C9	C8	O7	H13	61.0°	60.3°
C8	C9	O8	H15	180.0°	180.0°
O3	C3	C2	C4	111.4°	120.0°
O3	C3	C2	H4	116.6°	120.0°
O3	C3	C4	H4	113.4°	120.0°
O3	C3	C2	C1	95.6°	55.0°
O3	C3	C2	O2	138.7°	65.0°
O3	C3	C4	O4	84.1°	65.0°
O3	C3	C4	C11	151.9°	55.0°
O3	C3	C2	H2	17.5°	175.0°
O3	C3	C4	H6	32.4°	175.0°
O5	C5	C10	C9	55.3°	57.5°
O5	C5	C10	O4	119.4°	120.0°
O5	C5	C10	H7	120.3°	120.0°
O5	C5	O4	H7	122.2°	120.1°
O5	C5	C10	O9	179.9°	177.5°
O5	C5	O4	C4	56.1°	70.1°
O5	C5	C10	H16	61.5°	62.4°
C5	O5	C6	H8	53.0°	58.8°
O1	C1	C2	C3	61.0°	119.7°
O1	C1	C2	H1	180.0°	179.8°
O1	C1	C2	O2	172.6°	0.2°
O1	C1	C2	H2	52.0°	120.3°
O8	C9	C10	H14	120.0°	120.3°
O8	C9	C10	C5	173.5°	176.7°
O8	C9	C10	O9	62.7°	63.3°
O8	C9	C10	H16	56.6°	56.9°
O8	C9	C8	H12	65.7°	63.3°
C9	C10	C5	O9	124.7°	120.0°
C9	C10	C5	H16	116.9°	119.9°
C9	C10	C5	O4	174.8°	177.6°
C9	C10	O9	H16	118.5°	120.2°
C9	C10	C5	H7	64.9°	62.4°
C10	C9	C8	H12	173.0°	176.8°
C10	C9	O8	H15	58.3°	60.5°
C9	C10	O9	H17	180.0°	179.9°
C2	C3	C4	H4	132.0°	119.9°
C3	C2	C1	O2	126.5°	120.0°
C3	C2	C1	H2	113.0°	120.0°
C3	C2	O2	H2	120.3°	120.0°
C2	C3	C4	O4	161.2°	55.0°
C2	C3	C4	C11	37.3°	175.0°
C3	C2	C1	H1	119.0°	60.0°
C2	C3	C4	H6	82.2°	65.0°
C3	C2	O2	H3	180.0°	60.0°
C2	C3	O3	H5	52.6°	60.0°
C4	C3	C2	C1	15.8°	175.0°
C4	C3	C2	O2	109.8°	55.0°
C3	C4	O4	C5	133.7°	140.8°
C3	C4	O4	C11	127.7°	120.0°
C3	C4	O4	H6	116.0°	120.0°
C3	C4	C11	H6	119.5°	120.0°
C3	C4	C11	O10	160.2°	55.4°
C3	C4	C11	C12	31.9°	175.4°
C3	C4	C11	H18	86.0°	64.6°
C4	C3	C2	H2	128.9°	64.9°
C4	C3	O3	H5	79.7°	60.0°
C1	C2	O2	H2	119.7°	120.1°
C1	C2	C3	H4	147.8°	65.0°
C1	C2	O2	H3	60.0°	60.0°
O2	C2	C1	H1	7.4°	180.0°
O2	C2	C3	H4	22.1°	175.0°
C10	C5	O4	H7	119.2°	119.9°
C5	C10	O9	H16	117.6°	120.0°
C10	C5	O4	C4	174.7°	169.9°
C5	C10	C9	H14	66.5°	62.9°
C5	C10	O9	H17	56.2°	60.1°
O4	C5	C10	O9	60.5°	62.4°
C5	O4	C4	C11	98.6°	99.1°
O4	C5	C10	H16	57.9°	57.7°
C5	O4	C4	H6	17.7°	20.8°
O9	C10	C5	H7	59.8°	57.6°
O9	C10	C9	H14	57.2°	57.1°
O4	C4	C11	H6	116.9°	119.9°
O4	C4	C11	O10	36.7°	175.4°
O4	C4	C11	C12	91.7°	64.5°
O4	C4	C11	H18	150.4°	55.5°
O4	C4	C3	H4	29.3°	174.9°
C4	O4	C5	H7	66.1°	49.9°
C4	C11	O10	C12	134.2°	120.0°
C4	C11	O10	H18	113.1°	120.0°
C4	C11	C12	H18	117.8°	120.0°
C4	C11	C12	O11	35.4°	175.4°
C4	C11	C12	H20	156.4°	55.3°
C4	C11	C12	H21	85.5°	64.7°
C11	C4	C3	H4	94.7°	65.0°
C4	C11	O10	H19	180.0°	60.0°
O10	C11	C12	H18	113.4°	120.0°
O10	C11	C12	O11	93.3°	64.6°
O10	C11	C12	H20	27.6°	175.4°
O10	C11	C12	H21	145.7°	55.3°
O10	C11	C4	H6	80.3°	64.6°
C11	C12	O11	H20	120.9°	120.0°
C11	C12	O11	H21	120.9°	119.9°
C11	C12	H20	H21	117.0°	120.0°
C12	C11	C4	H6	151.4°	55.4°
C12	C11	O10	H19	45.8°	60.0°
C11	C12	O11	H22	180.0°	180.0°
O11	C12	C11	H18	153.3°	55.4°
O11	C12	H20	H21	117.0°	120.0°
H1	C1	C2	H2	128.0°	60.0°
H16	C10	C5	H7	178.2°	177.7°
H16	C10	C9	H14	176.6°	177.2°
H16	C10	O9	H17	61.4°	59.9°
H18	C11	C12	H20	85.8°	64.7°
H18	C11	C12	H21	32.3°	175.3°
H18	C11	C4	H6	33.5°	175.4°
H18	C11	O10	H19	67.0°	180.0°
H20	C12	O11	H22	59.0°	59.9°
H21	C12	O11	H22	59.1°	60.1°
H2	C2	C3	H4	99.1°	55.0°
H2	C2	O2	H3	59.7°	180.0°
H4	C3	C4	H6	145.8°	55.0°
H4	C3	O3	H5	168.1°	180.0°
H8	C6	C7	H10	179.7°	65.0°
H8	C6	C7	H9	60.4°	175.0°
H8	C6	C8	H12	58.6°	57.5°
H10	C7	O6	H11	59.7°	60.0°
H9	C7	O6	H11	59.7°	60.0°
H12	C8	C9	H14	54.4°	57.0°
H12	C8	O7	H13	58.9°	59.9°
H14	C9	O8	H15	60.8°	59.8°

Release date:	2021-08-25
Definition date:	2020-02-14
Last modified:	2021-08-20
Release status:	REL
Processing site:	RCSB
Derived from:	6VTO