LZO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C	doub	1.21Å	1.23Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.51Å	1.50Å
O	C	sing	1.34Å	1.31Å
C3	C2	sing	1.53Å	1.52Å
C	C1	sing	1.51Å	1.50Å
C5	S	sing	1.76Å	1.73Å	Aromatic
C5	C6	doub	1.34Å	1.36Å	Aromatic
C1	C2	sing	1.53Å	1.52Å
S	C8	sing	1.76Å	1.74Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C8	C7	doub	1.35Å	1.36Å	Aromatic
C8	C9	sing	1.48Å	1.47Å
C10	C9	doub	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C9	C14	sing	1.40Å	1.39Å	Aromatic
O2	C11	sing	1.36Å	1.36Å
C11	C12	doub	1.39Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
O2	H10	sing	0.97Å	0.95Å
C7	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
O	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C	O	123.7°	120.1°
O1	C	C1	120.5°	120.0°
C3	C4	C5	114.7°	109.5°
C4	C3	C2	115.1°	109.5°
C4	C3	H5	108.0°	109.5°
C4	C3	H6	108.0°	109.5°
C3	C4	H7	108.2°	109.5°
C3	C4	H8	108.2°	109.5°
C4	C5	S	121.4°	125.1°
C4	C5	C6	127.8°	125.1°
C5	C4	H7	108.1°	109.5°
C5	C4	H8	108.2°	109.5°
O	C	C1	115.7°	120.0°
C	O	H16	109.5°	117.0°
C3	C2	C1	112.3°	109.5°
C3	C2	H3	108.8°	109.5°
C3	C2	H4	108.7°	109.5°
C2	C3	H5	108.1°	109.5°
C2	C3	H6	108.1°	109.5°
C	C1	C2	114.9°	109.4°
C	C1	H1	108.1°	109.5°
C	C1	H2	108.1°	109.5°
S	C5	C6	110.8°	109.8°
C5	S	C8	91.3°	91.0°
C5	C6	C7	113.7°	115.1°
C5	C6	H9	123.2°	122.5°
C2	C1	H1	108.1°	109.4°
C2	C1	H2	108.1°	109.4°
C1	C2	H3	108.7°	109.5°
C1	C2	H4	108.8°	109.4°
S	C8	C7	110.5°	109.5°
S	C8	C9	121.9°	125.3°
C6	C7	C8	113.7°	114.7°
C7	C6	H9	123.2°	122.4°
C6	C7	H11	123.1°	122.7°
C7	C8	C9	127.4°	125.2°
C8	C7	H11	123.1°	122.6°
C8	C9	C10	120.7°	120.1°
C8	C9	C14	119.9°	120.1°
C9	C10	C11	119.8°	119.8°
C10	C9	C14	119.3°	119.8°
C9	C10	H12	120.1°	120.1°
C10	C11	O2	120.2°	119.9°
C10	C11	C12	120.5°	120.0°
C11	C10	H12	120.1°	120.1°
C9	C14	C13	120.5°	119.9°
C9	C14	H15	119.8°	120.1°
O2	C11	C12	119.3°	120.0°
C11	O2	H10	109.5°	114.0°
C11	C12	C13	119.5°	120.2°
C11	C12	H13	120.3°	119.8°
C14	C13	C12	120.4°	120.2°
C14	C13	H14	119.8°	119.9°
C13	C14	H15	119.7°	120.0°
C13	C12	H13	120.3°	119.9°
C12	C13	H14	119.8°	119.9°
H1	C1	H2	109.5°	109.5°
H3	C2	H4	109.5°	109.5°
H5	C3	H6	109.5°	109.5°
H7	C4	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C	O	C1	179.7°	180.0°
O1	C	C1	C2	141.4°	0.0°
O1	C	C1	H1	97.8°	119.9°
O1	C	C1	H2	20.5°	120.0°
O1	C	O	H16	0.0°	0.0°
C3	C4	C5	H7	120.8°	120.0°
C3	C4	C5	H8	120.8°	120.0°
C4	C3	C2	H5	120.8°	120.0°
C4	C3	C2	H6	120.8°	120.0°
C3	C4	C5	S	71.0°	90.1°
C3	C4	C5	C6	110.7°	90.3°
C4	C3	C2	C1	167.6°	180.0°
C4	C3	C2	H3	72.0°	60.0°
C4	C3	C2	H4	47.1°	60.0°
C4	C3	H5	H6	117.4°	120.0°
C3	C4	H7	H8	117.6°	120.0°
C5	C4	C3	C2	48.3°	180.0°
C4	C5	S	C6	178.6°	179.7°
C4	C5	S	C8	178.4°	179.9°
C4	C5	C6	C7	178.4°	180.0°
C5	C4	C3	H5	169.1°	60.0°
C5	C4	C3	H6	72.5°	60.0°
C5	C4	H7	H8	117.6°	120.0°
C4	C5	C6	H9	1.5°	0.1°
O	C	C1	C2	38.4°	180.0°
O	C	C1	H1	82.4°	60.0°
O	C	C1	H2	159.2°	60.1°
C3	C2	C1	C	61.0°	180.0°
C3	C2	C1	H3	120.4°	120.0°
C3	C2	C1	H4	120.4°	120.0°
C3	C2	C1	H1	178.1°	60.0°
C3	C2	C1	H2	59.8°	60.0°
C3	C2	H3	H4	118.7°	120.0°
C2	C3	H5	H6	117.5°	120.0°
C2	C3	C4	H7	169.1°	60.0°
C2	C3	C4	H8	72.5°	60.0°
C	C1	C2	H1	120.8°	120.0°
C	C1	C2	H2	120.8°	120.0°
C	C1	H1	H2	117.5°	120.1°
C	C1	C2	H3	178.6°	60.0°
C	C1	C2	H4	59.4°	60.0°
C1	C	O	H16	179.7°	180.0°
S	C5	C6	C7	0.0°	0.3°
C5	S	C8	C7	0.2°	0.4°
C5	S	C8	C9	175.5°	179.9°
S	C5	C4	H7	49.8°	150.0°
S	C5	C4	H8	168.2°	29.9°
S	C5	C6	H9	180.0°	179.8°
C6	C5	S	C8	0.2°	0.4°
C5	C6	C7	H9	180.0°	179.9°
C5	C6	C7	C8	0.1°	0.0°
C6	C5	C4	H7	128.6°	29.7°
C6	C5	C4	H8	10.1°	149.7°
C5	C6	C7	H11	179.9°	179.9°
C2	C1	H1	H2	117.5°	120.0°
C1	C2	H3	H4	118.7°	119.9°
C1	C2	C3	H5	46.8°	60.0°
C1	C2	C3	H6	71.6°	60.0°
S	C8	C7	C6	0.3°	0.3°
S	C8	C7	C9	175.5°	179.7°
S	C8	C9	C10	0.7°	0.6°
S	C8	C9	C14	175.9°	179.7°
S	C8	C7	H11	179.8°	179.8°
C6	C7	C8	H11	180.0°	180.0°
C6	C7	C8	C9	175.2°	180.0°
C7	C8	C9	C10	175.8°	179.7°
C7	C8	C9	C14	0.8°	0.0°
C8	C7	C6	H9	179.9°	179.9°
C8	C9	C10	C14	176.6°	179.7°
C8	C9	C10	C11	175.7°	179.8°
C8	C9	C14	C13	175.5°	179.8°
C9	C8	C7	H11	4.7°	0.0°
C8	C9	C10	H12	4.3°	0.3°
C8	C9	C14	H15	4.6°	0.1°
C9	C10	C11	H12	180.0°	180.0°
C9	C10	C11	O2	179.5°	180.0°
C9	C10	C11	C12	0.1°	0.0°
C10	C9	C14	C13	1.2°	0.0°
C10	C9	C14	H15	178.8°	179.8°
C11	C10	C9	C14	0.9°	0.0°
C10	C11	O2	C12	179.5°	180.0°
C10	C11	C12	C13	0.5°	0.0°
C10	C11	O2	H10	180.0°	90.0°
C10	C11	C12	H13	179.6°	180.0°
C9	C14	C13	H15	180.0°	179.8°
C9	C14	C13	C12	0.6°	0.0°
C14	C9	C10	H12	179.1°	180.0°
C9	C14	C13	H14	179.4°	179.9°
O2	C11	C12	C13	179.0°	180.0°
O2	C11	C10	H12	0.4°	0.0°
O2	C11	C12	H13	1.0°	0.1°
C11	C12	C13	C14	0.2°	0.0°
C11	C12	C13	H13	180.0°	179.9°
C12	C11	O2	H10	0.6°	90.0°
C12	C11	C10	H12	179.9°	180.0°
C11	C12	C13	H14	179.8°	179.9°
C14	C13	C12	H14	180.0°	179.9°
C14	C13	C12	H13	179.8°	180.0°
C12	C13	C14	H15	179.3°	179.8°
H1	C1	C2	H3	57.7°	60.0°
H1	C1	C2	H4	61.4°	180.0°
H2	C1	C2	H3	60.6°	179.9°
H2	C1	C2	H4	179.8°	60.0°
H3	C2	C3	H5	167.2°	180.0°
H3	C2	C3	H6	48.8°	60.0°
H4	C2	C3	H5	73.7°	60.0°
H4	C2	C3	H6	167.9°	180.0°
H5	C3	C4	H7	70.1°	180.0°
H5	C3	C4	H8	48.4°	60.0°
H6	C3	C4	H7	48.2°	60.0°
H6	C3	C4	H8	166.7°	180.0°
H9	C6	C7	H11	0.1°	0.0°
H13	C12	C13	H14	0.2°	0.1°
H14	C13	C14	H15	0.6°	0.3°

Release date:	2023-08-16
Definition date:	2022-07-18
Last modified:	2023-08-11
Release status:	REL
Processing site:	PDBE
Derived from:	8AE9