A1EDX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.44Å
C6	C1	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.54Å
C10	C1	sing	1.56Å	1.53Å
C10	C8	sing	1.53Å	1.54Å
O2	C7	doub	1.21Å	1.22Å
C1	C2	sing	1.53Å	1.52Å
C7	C5	sing	1.52Å	1.51Å
C7	C8	sing	1.52Å	1.51Å
C5	C4	sing	1.53Å	1.54Å
C8	C9	sing	1.53Å	1.54Å
C2	C3	sing	1.54Å	1.53Å
C4	C3	sing	1.53Å	1.53Å
C9	C3	sing	1.53Å	1.53Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
O1	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C6	110.1°	109.3°
O1	C1	C10	109.5°	110.0°
O1	C1	C2	108.9°	108.6°
C1	O1	H14	109.5°	114.0°
C1	C6	C5	109.8°	109.9°
C6	C1	C10	109.3°	110.3°
C6	C1	C2	109.2°	109.5°
C1	C6	H4	109.4°	109.4°
C1	C6	H5	109.4°	109.4°
C6	C5	C7	109.2°	107.9°
C6	C5	C4	109.6°	109.1°
C6	C5	H3	110.2°	110.8°
C5	C6	H4	109.4°	109.4°
C5	C6	H5	109.4°	109.4°
C1	C10	C8	109.7°	110.1°
C10	C1	C2	109.9°	109.1°
C1	C10	H7	109.4°	109.4°
C1	C10	H8	109.4°	109.4°
C10	C8	C7	109.3°	107.3°
C10	C8	C9	109.1°	109.1°
C10	C8	H6	110.2°	111.3°
C8	C10	H7	109.4°	108.8°
C8	C10	H8	109.4°	109.8°
O2	C7	C5	123.2°	122.5°
O2	C7	C8	123.6°	122.5°
C1	C2	C3	110.2°	108.6°
C1	C2	H9	109.3°	109.6°
C1	C2	H10	109.3°	109.6°
C5	C7	C8	113.2°	115.0°
C7	C5	C4	106.8°	107.4°
C7	C5	H3	110.7°	110.8°
C7	C8	C9	107.4°	107.3°
C7	C8	H6	110.5°	110.9°
C5	C4	C3	109.7°	109.9°
C5	C4	H1	109.4°	109.5°
C5	C4	H2	109.4°	109.4°
C4	C5	H3	110.2°	110.8°
C8	C9	C3	109.7°	109.9°
C9	C8	H6	110.2°	110.7°
C8	C9	H12	109.4°	109.4°
C8	C9	H13	109.4°	109.4°
C2	C3	C4	109.1°	108.7°
C2	C3	C9	109.2°	110.4°
C3	C2	H9	109.3°	110.0°
C3	C2	H10	109.3°	109.4°
C2	C3	H11	109.5°	109.1°
C4	C3	C9	110.0°	110.7°
C3	C4	H1	109.4°	109.4°
C3	C4	H2	109.4°	109.4°
C4	C3	H11	109.6°	109.3°
C9	C3	H11	109.6°	108.6°
C3	C9	H12	109.4°	109.3°
C3	C9	H13	109.4°	109.4°
H1	C4	H2	109.5°	109.4°
H4	C6	H5	109.4°	109.3°
H7	C10	H8	109.4°	109.4°
H9	C2	H10	109.5°	109.6°
H12	C9	H13	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C6	C10	120.3°	121.1°
O1	C1	C6	C2	119.5°	118.8°
O1	C1	C6	C5	179.1°	179.2°
O1	C1	C10	C2	119.5°	119.0°
O1	C1	C10	C8	178.7°	179.5°
O1	C1	C2	C3	179.2°	179.7°
O1	C1	C6	H4	60.9°	59.0°
O1	C1	C6	H5	59.0°	60.7°
O1	C1	C10	H7	58.7°	61.0°
O1	C1	C10	H8	61.2°	58.7°
O1	C1	C2	H9	60.7°	60.1°
O1	C1	C2	H10	59.1°	60.2°
C1	C6	C5	H4	120.1°	120.1°
C1	C6	C5	H5	120.0°	120.2°
C6	C1	C10	C2	119.8°	120.3°
C6	C1	C10	C8	60.7°	59.8°
C1	C6	C5	C7	57.7°	57.3°
C1	C6	C5	C4	59.0°	59.1°
C6	C1	C2	C3	60.5°	61.1°
C1	C6	C5	H3	179.5°	178.8°
C1	C6	H4	H5	119.9°	119.8°
C6	C1	C10	H7	179.3°	59.7°
C6	C1	C10	H8	59.4°	179.4°
C6	C1	C2	H9	59.6°	59.1°
C6	C1	C2	H10	179.3°	179.5°
C6	C1	O1	H14	180.0°	60.0°
C5	C6	C1	C10	60.7°	59.7°
C6	C5	C7	O2	125.0°	121.1°
C5	C6	C1	C2	59.6°	60.4°
C6	C5	C7	C4	118.5°	117.5°
C6	C5	C7	H3	121.5°	121.5°
C6	C5	C7	C8	56.9°	58.9°
C6	C5	C4	H3	121.5°	122.2°
C6	C5	C4	C3	59.1°	59.8°
C6	C5	C4	H1	179.1°	179.9°
C6	C5	C4	H2	60.9°	60.3°
C5	C6	H4	H5	119.8°	119.8°
C1	C10	C8	H7	120.0°	119.8°
C1	C10	C8	H8	120.0°	120.5°
C1	C10	C8	C7	57.8°	56.6°
C1	C10	C8	C9	59.4°	59.4°
C10	C1	C2	C3	59.3°	59.8°
C10	C1	C6	H4	59.4°	179.8°
C10	C1	C6	H5	179.3°	60.5°
C1	C10	C8	H6	179.5°	178.1°
C1	C10	H7	H8	119.9°	119.8°
C10	C1	C2	H9	179.4°	180.0°
C10	C1	C2	H10	60.8°	59.7°
C10	C1	O1	H14	59.9°	61.3°
C10	C8	C7	O2	124.9°	121.4°
C8	C10	C1	C2	59.2°	60.5°
C10	C8	C7	C5	56.9°	58.6°
C10	C8	C7	C9	118.3°	117.2°
C10	C8	C7	H6	121.4°	121.8°
C10	C8	C9	H6	121.1°	122.9°
C10	C8	C9	C3	60.1°	59.0°
C8	C10	H7	H8	119.9°	119.9°
C10	C8	C9	H12	59.9°	61.1°
C10	C8	C9	H13	179.8°	179.2°
O2	C7	C5	C8	178.2°	180.0°
O2	C7	C5	C4	116.5°	121.4°
O2	C7	C8	C9	116.8°	121.4°
O2	C7	C5	H3	3.5°	0.3°
O2	C7	C8	H6	3.5°	0.4°
C1	C2	C3	H9	120.1°	119.9°
C1	C2	C3	H10	120.1°	119.6°
C1	C2	C3	C4	60.6°	61.3°
C1	C2	C3	C9	59.6°	60.4°
C2	C1	C6	H4	179.6°	59.8°
C2	C1	C6	H5	60.5°	179.5°
C2	C1	C10	H7	60.9°	180.0°
C2	C1	C10	H8	179.2°	60.2°
C1	C2	H9	H10	119.6°	120.4°
C1	C2	C3	H11	179.6°	179.7°
C2	C1	O1	H14	60.3°	179.4°
C7	C5	C4	H3	120.3°	121.1°
C5	C7	C8	C9	61.4°	58.6°
C7	C5	C4	C3	59.2°	56.9°
C7	C5	C4	H1	60.8°	63.2°
C7	C5	C4	H2	179.2°	177.0°
C7	C5	C6	H4	62.3°	177.4°
C7	C5	C6	H5	177.8°	62.9°
C5	C7	C8	H6	178.4°	179.6°
C8	C7	C5	C4	61.6°	58.6°
C7	C8	C9	H6	120.5°	121.1°
C7	C8	C9	C3	58.3°	57.0°
C8	C7	C5	H3	178.4°	179.7°
C7	C8	C10	H7	177.9°	63.3°
C7	C8	C10	H8	62.2°	177.1°
C7	C8	C9	H12	178.3°	177.1°
C7	C8	C9	H13	61.8°	63.2°
C5	C4	C3	C2	59.4°	61.1°
C5	C4	C3	H1	120.0°	120.2°
C5	C4	C3	H2	120.0°	120.1°
C5	C4	C3	C9	60.3°	60.4°
C5	C4	H1	H2	119.9°	119.8°
C4	C5	C6	H4	179.0°	61.0°
C4	C5	C6	H5	61.1°	179.3°
C5	C4	C3	H11	179.3°	180.0°
C8	C9	C3	C2	60.0°	60.0°
C8	C9	C3	C4	59.7°	60.5°
C8	C9	C3	H12	120.0°	120.2°
C8	C9	C3	H13	120.0°	120.2°
C9	C8	C10	H7	60.7°	179.2°
C9	C8	C10	H8	179.4°	61.1°
C8	C9	C3	H11	179.9°	179.6°
C8	C9	H12	H13	119.9°	119.8°
C2	C3	C4	C9	119.7°	121.5°
C2	C3	C4	H11	119.8°	119.0°
C2	C3	C9	H11	119.9°	119.6°
C2	C3	C4	H1	179.4°	178.8°
C2	C3	C4	H2	60.6°	59.0°
C3	C2	H9	H10	119.7°	120.3°
C2	C3	C9	H12	60.1°	60.2°
C2	C3	C9	H13	180.0°	179.8°
C4	C3	C9	H11	120.5°	120.0°
C3	C4	H1	H2	119.9°	119.7°
C3	C4	C5	H3	179.5°	178.0°
C4	C3	C2	H9	59.5°	58.7°
C4	C3	C2	H10	179.3°	179.1°
C4	C3	C9	H12	179.7°	179.4°
C4	C3	C9	H13	60.4°	59.7°
C9	C3	C4	H1	59.7°	59.8°
C9	C3	C4	H2	179.7°	179.5°
C3	C9	C8	H6	178.8°	178.1°
C9	C3	C2	H9	179.7°	179.7°
C9	C3	C2	H10	60.5°	59.2°
C3	C9	H12	H13	119.9°	119.7°
H1	C4	C5	H3	59.4°	57.9°
H1	C4	C3	H11	60.7°	59.8°
H2	C4	C5	H3	60.5°	61.9°
H2	C4	C3	H11	59.2°	60.0°
H3	C5	C6	H4	59.5°	61.2°
H3	C5	C6	H5	60.4°	58.6°
H6	C8	C10	H7	60.5°	58.3°
H6	C8	C10	H8	59.4°	61.4°
H6	C8	C9	H12	61.2°	61.8°
H6	C8	C9	H13	58.7°	57.9°
H9	C2	C3	H11	60.3°	60.4°
H10	C2	C3	H11	59.5°	60.1°
H11	C3	C9	H12	59.9°	59.4°
H11	C3	C9	H13	60.1°	60.3°

Release date:	2025-08-27
Definition date:	2024-10-17
Last modified:	2025-08-22
Release status:	REL
Processing site:	PDBC
Derived from:	9JYT