VBL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	O1	sing	1.43Å	1.48Å
C10	C3	sing	1.53Å	1.57Å
C3	C4	sing	1.53Å	1.58Å
C3	C2	sing	1.53Å	1.56Å
O	C4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.54Å
C2	C1	sing	1.53Å	1.55Å
C1	C	sing	1.53Å	1.54Å
C5	C6	sing	1.53Å	1.54Å
C6	C7	sing	1.53Å	1.54Å
C	C11	sing	1.53Å	1.54Å
C9	C8	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.54Å
C11	C12	sing	1.53Å	1.53Å
C3	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C10	H19	sing	1.09Å	1.10Å
C12	H20	sing	1.09Å	1.10Å
C12	H21	sing	1.09Å	1.10Å
C12	H22	sing	1.09Å	1.10Å
C11	H23	sing	1.09Å	1.10Å
C11	H24	sing	1.09Å	1.10Å
C	H25	sing	1.09Å	1.10Å
C	H26	sing	1.09Å	1.10Å
O	H27	sing	0.97Å	0.95Å
O1	H28	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C10	C3	107.3°	109.5°
O1	C10	H18	110.0°	109.4°
O1	C10	H19	110.0°	109.5°
C10	O1	H28	109.5°	114.1°
C10	C3	C4	113.6°	109.5°
C10	C3	C2	112.1°	109.5°
C10	C3	H1	105.3°	109.5°
C3	C10	H18	110.0°	109.5°
C3	C10	H19	110.0°	109.5°
C4	C3	C2	114.1°	109.5°
C3	C4	O	108.2°	109.4°
C3	C4	C5	110.8°	109.5°
C4	C3	H1	105.2°	109.4°
C3	C4	H2	108.9°	109.5°
C3	C2	C1	112.5°	109.5°
C2	C3	H1	105.4°	109.4°
C3	C2	H16	108.7°	109.5°
C3	C2	H17	108.7°	109.5°
O	C4	C5	108.5°	109.5°
O	C4	H2	111.1°	109.4°
C4	O	H27	109.5°	113.9°
C4	C5	C6	112.5°	109.5°
C5	C4	H2	109.3°	109.5°
C4	C5	H3	108.7°	109.4°
C4	C5	H4	108.7°	109.5°
C2	C1	C	114.1°	109.5°
C2	C1	H14	108.3°	109.4°
C2	C1	H15	108.3°	109.5°
C1	C2	H16	108.7°	109.5°
C1	C2	H17	108.7°	109.4°
C1	C	C11	113.3°	109.4°
C	C1	H14	108.3°	109.5°
C	C1	H15	108.3°	109.5°
C1	C	H25	108.5°	109.5°
C1	C	H26	108.5°	109.5°
C5	C6	C7	112.6°	109.5°
C6	C5	H3	108.7°	109.4°
C6	C5	H4	108.7°	109.5°
C5	C6	H5	108.7°	109.5°
C5	C6	H6	108.7°	109.5°
C6	C7	C8	112.9°	109.5°
C7	C6	H5	108.7°	109.4°
C7	C6	H6	108.7°	109.4°
C6	C7	H7	108.6°	109.4°
C6	C7	H8	108.6°	109.4°
C	C11	C12	112.9°	109.4°
C	C11	H23	108.6°	109.5°
C	C11	H24	108.6°	109.5°
C11	C	H25	108.5°	109.5°
C11	C	H26	108.5°	109.5°
C9	C8	C7	115.1°	109.4°
C9	C8	H9	108.1°	109.5°
C9	C8	H10	108.0°	109.5°
C8	C9	H11	109.5°	109.5°
C8	C9	H12	109.5°	109.5°
C8	C9	H13	109.5°	109.5°
C8	C7	H7	108.6°	109.5°
C8	C7	H8	108.6°	109.5°
C7	C8	H9	108.0°	109.5°
C7	C8	H10	108.1°	109.5°
C11	C12	H20	109.5°	109.5°
C11	C12	H21	109.4°	109.5°
C11	C12	H22	109.5°	109.5°
C12	C11	H23	108.6°	109.5°
C12	C11	H24	108.6°	109.5°
H3	C5	H4	109.5°	109.5°
H5	C6	H6	109.4°	109.5°
H7	C7	H8	109.5°	109.5°
H9	C8	H10	109.5°	109.5°
H11	C9	H12	109.4°	109.5°
H11	C9	H13	109.5°	109.4°
H12	C9	H13	109.5°	109.5°
H14	C1	H15	109.5°	109.5°
H16	C2	H17	109.5°	109.4°
H18	C10	H19	109.5°	109.5°
H20	C12	H21	109.5°	109.5°
H20	C12	H22	109.5°	109.4°
H21	C12	H22	109.5°	109.5°
H23	C11	H24	109.5°	109.5°
H25	C	H26	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C10	C3	H18	119.7°	119.9°
O1	C10	C3	H19	119.7°	120.1°
O1	C10	C3	C4	136.1°	65.0°
O1	C10	C3	C2	92.7°	174.9°
O1	C10	C3	H1	21.4°	55.0°
O1	C10	H18	H19	121.0°	120.0°
C10	C3	C4	C2	130.2°	120.0°
C10	C3	C4	H1	114.7°	120.0°
C10	C3	C2	H1	114.1°	120.0°
C10	C3	C4	O	53.0°	60.0°
C10	C3	C4	C5	171.9°	60.0°
C10	C3	C2	C1	79.5°	65.0°
C10	C3	C4	H2	67.9°	180.0°
C10	C3	C2	H16	160.1°	175.0°
C10	C3	C2	H17	41.0°	55.0°
C3	C10	H18	H19	121.0°	120.0°
C3	C10	O1	H28	180.0°	180.0°
C4	C3	C2	H1	115.0°	119.9°
C3	C4	O	C5	120.3°	120.0°
C3	C4	O	H2	119.5°	120.0°
C3	C4	C5	H2	120.0°	120.1°
C4	C3	C2	C1	149.6°	175.0°
C3	C4	C5	C6	178.1°	175.0°
C3	C4	C5	H3	61.5°	55.1°
C3	C4	C5	H4	57.6°	65.0°
C4	C3	C2	H16	29.1°	54.9°
C4	C3	C2	H17	90.0°	65.0°
C4	C3	C10	H18	16.5°	175.0°
C4	C3	C10	H19	104.2°	55.0°
C3	C4	O	H27	180.0°	60.0°
C2	C3	C4	O	176.8°	60.0°
C2	C3	C4	C5	57.9°	NaN°
C3	C2	C1	H16	120.5°	120.1°
C3	C2	C1	H17	120.5°	120.0°
C3	C2	C1	C	131.3°	180.0°
C2	C3	C4	H2	62.3°	59.9°
C3	C2	C1	H14	108.0°	60.0°
C3	C2	C1	H15	10.6°	60.0°
C3	C2	H16	H17	118.7°	120.0°
C2	C3	C10	H18	147.6°	55.0°
C2	C3	C10	H19	26.9°	65.0°
O	C4	C5	H2	121.3°	120.0°
O	C4	C5	C6	59.4°	65.0°
O	C4	C3	H1	61.7°	179.9°
O	C4	C5	H3	179.8°	175.0°
O	C4	C5	H4	61.1°	55.0°
C4	C5	C6	H3	120.4°	119.9°
C4	C5	C6	H4	120.4°	120.1°
C4	C5	C6	C7	145.3°	180.0°
C5	C4	C3	H1	57.2°	60.1°
C4	C5	H3	H4	118.6°	120.0°
C4	C5	C6	H5	24.8°	60.1°
C4	C5	C6	H6	94.2°	60.0°
C5	C4	O	H27	59.6°	60.0°
C2	C1	C	H14	120.7°	120.0°
C2	C1	C	H15	120.7°	120.0°
C2	C1	C	C11	124.6°	180.0°
C1	C2	C3	H1	34.6°	55.0°
C2	C1	H14	H15	117.9°	120.0°
C1	C2	H16	H17	118.6°	119.9°
C2	C1	C	H25	4.0°	60.0°
C2	C1	C	H26	114.9°	60.0°
C1	C	C11	H25	120.6°	120.0°
C1	C	C11	H26	120.5°	120.0°
C1	C	C11	C12	93.5°	180.0°
C	C1	H14	H15	117.9°	120.0°
C	C1	C2	H16	10.8°	60.0°
C	C1	C2	H17	108.2°	59.9°
C1	C	C11	H23	146.0°	60.0°
C1	C	C11	H24	27.0°	60.0°
C1	C	H25	H26	118.3°	120.0°
C5	C6	C7	H5	120.5°	120.0°
C5	C6	C7	H6	120.5°	120.0°
C5	C6	C7	C8	174.3°	180.0°
C6	C5	C4	H2	61.9°	55.0°
C6	C5	H3	H4	118.6°	120.0°
C5	C6	H5	H6	118.5°	120.1°
C5	C6	C7	H7	65.2°	60.0°
C5	C6	C7	H8	53.8°	60.0°
C6	C7	C8	C9	42.9°	180.0°
C6	C7	C8	H7	120.5°	120.0°
C6	C7	C8	H8	120.5°	120.0°
C7	C6	C5	H3	94.3°	60.0°
C7	C6	C5	H4	24.8°	60.0°
C7	C6	H5	H6	118.6°	119.9°
C6	C7	H7	H8	118.5°	119.9°
C6	C7	C8	H9	78.0°	60.0°
C6	C7	C8	H10	163.7°	60.0°
C	C11	C12	H23	120.5°	120.0°
C	C11	C12	H24	120.5°	120.0°
C11	C	C1	H14	114.7°	60.0°
C11	C	C1	H15	3.9°	60.0°
C	C11	C12	H20	180.0°	180.0°
C	C11	C12	H21	60.0°	60.0°
C	C11	C12	H22	60.0°	60.0°
C	C11	H23	H24	118.4°	120.0°
C11	C	H25	H26	118.3°	120.0°
C9	C8	C7	H9	120.8°	120.0°
C9	C8	C7	H10	120.8°	120.0°
C9	C8	C7	H7	77.7°	60.0°
C9	C8	C7	H8	163.4°	60.0°
C9	C8	H9	H10	117.5°	120.0°
C8	C9	H11	H12	120.0°	120.0°
C8	C9	H11	H13	120.0°	120.0°
C8	C9	H12	H13	120.0°	120.0°
C8	C7	C6	H5	53.8°	60.0°
C8	C7	C6	H6	65.3°	60.0°
C8	C7	H7	H8	118.4°	120.1°
C7	C8	H9	H10	117.4°	120.0°
C7	C8	C9	H11	180.0°	180.0°
C7	C8	C9	H12	60.0°	60.0°
C7	C8	C9	H13	60.0°	60.0°
C11	C12	H20	H21	120.0°	120.0°
C11	C12	H20	H22	120.0°	120.0°
C11	C12	H21	H22	120.0°	120.0°
C12	C11	H23	H24	118.4°	120.0°
C12	C11	C	H25	27.0°	60.0°
C12	C11	C	H26	145.9°	60.0°
H1	C3	C4	H2	177.4°	60.0°
H1	C3	C2	H16	85.8°	65.0°
H1	C3	C2	H17	155.1°	175.0°
H1	C3	C10	H18	98.2°	65.0°
H1	C3	C10	H19	141.1°	175.0°
H2	C4	C5	H3	58.5°	65.0°
H2	C4	C5	H4	177.6°	175.0°
H2	C4	O	H27	60.5°	180.0°
H3	C5	C6	H5	145.2°	180.0°
H3	C5	C6	H6	26.2°	60.0°
H4	C5	C6	H5	95.7°	60.0°
H4	C5	C6	H6	145.3°	180.0°
H5	C6	C7	H7	174.3°	180.0°
H5	C6	C7	H8	66.7°	60.1°
H6	C6	C7	H7	55.2°	60.1°
H6	C6	C7	H8	174.2°	180.0°
H7	C7	C8	H9	161.5°	180.0°
H7	C7	C8	H10	43.1°	60.0°
H8	C7	C8	H9	42.5°	60.0°
H8	C7	C8	H10	75.8°	180.0°
H9	C8	C9	H11	59.2°	60.0°
H9	C8	C9	H12	60.8°	NaN°
H9	C8	C9	H13	179.2°	60.0°
H10	C8	C9	H11	59.2°	60.0°
H10	C8	C9	H12	179.2°	60.0°
H10	C8	C9	H13	60.8°	180.0°
H11	C9	H12	H13	120.0°	120.0°
H14	C1	C2	H16	131.5°	180.0°
H14	C1	C2	H17	12.4°	60.1°
H14	C1	C	H25	124.7°	180.0°
H14	C1	C	H26	5.8°	60.0°
H15	C1	C2	H16	109.9°	60.1°
H15	C1	C2	H17	131.1°	180.0°
H15	C1	C	H25	116.6°	60.0°
H15	C1	C	H26	124.5°	179.9°
H18	C10	O1	H28	60.3°	60.0°
H19	C10	O1	H28	60.3°	59.9°
H20	C12	H21	H22	120.0°	120.0°
H20	C12	C11	H23	59.5°	60.0°
H20	C12	C11	H24	59.5°	60.0°
H21	C12	C11	H23	179.5°	60.0°
H21	C12	C11	H24	60.5°	179.9°
H22	C12	C11	H23	60.5°	NaN°
H22	C12	C11	H24	179.5°	59.9°
H23	C11	C	H25	93.4°	60.0°
H23	C11	C	H26	25.4°	180.0°
H24	C11	C	H25	147.6°	180.0°
H24	C11	C	H26	93.6°	59.9°

Release date:	2025-02-12
Definition date:	2023-09-11
Last modified:	2025-02-07
Release status:	REL
Processing site:	PDBE
Derived from:	8QHF