FL3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.52Å
C2	O1	doub	1.21Å	1.22Å
C2	C3	sing	1.47Å	1.50Å
C4	C3	doub	1.41Å	1.40Å	Aromatic
C4	C6	sing	1.36Å	1.39Å	Aromatic
C3	C5	sing	1.39Å	1.39Å	Aromatic
C6	C8	doub	1.41Å	1.40Å	Aromatic
C5	C7	doub	1.40Å	1.39Å	Aromatic
C8	C7	sing	1.42Å	1.41Å	Aromatic
C8	C11	sing	1.41Å	1.40Å	Aromatic
C7	C9	sing	1.41Å	1.38Å	Aromatic
C11	C12	doub	1.36Å	1.39Å	Aromatic
C9	C10	doub	1.36Å	1.40Å	Aromatic
C12	C10	sing	1.39Å	1.39Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C5	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	O1	122.7°	120.0°
C1	C2	C3	118.4°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
O1	C2	C3	118.9°	120.0°
C2	C3	C4	117.9°	119.8°
C2	C3	C5	121.2°	119.8°
C3	C4	C6	120.1°	120.8°
C4	C3	C5	121.0°	120.4°
C3	C4	H4	120.0°	119.6°
C4	C6	C8	119.4°	120.1°
C6	C4	H4	119.9°	119.6°
C4	C6	H5	120.3°	120.0°
C3	C5	C7	119.0°	119.4°
C3	C5	H10	120.5°	120.3°
C6	C8	C7	119.9°	119.7°
C6	C8	C11	119.5°	121.0°
C8	C6	H5	120.3°	119.9°
C5	C7	C8	120.7°	119.5°
C5	C7	C9	120.3°	121.1°
C7	C5	H10	120.5°	120.3°
C7	C8	C11	120.5°	119.3°
C8	C7	C9	119.0°	119.4°
C8	C11	C12	120.1°	119.7°
C8	C11	H6	120.0°	120.1°
C7	C9	C10	120.3°	119.7°
C7	C9	H9	119.8°	120.2°
C11	C12	C10	119.2°	121.0°
C12	C11	H6	119.9°	120.2°
C11	C12	H7	120.4°	119.5°
C9	C10	C12	120.8°	120.9°
C9	C10	H8	119.6°	119.5°
C10	C9	H9	119.8°	120.2°
C10	C12	H7	120.4°	119.5°
C12	C10	H8	119.6°	119.6°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	O1	C3	178.5°	179.7°
C1	C2	C3	C4	72.6°	0.0°
C1	C2	C3	C5	107.6°	179.7°
C2	C1	H1	H2	120.0°	120.1°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
O1	C2	C3	C4	106.0°	179.7°
O1	C2	C3	C5	73.8°	0.0°
O1	C2	C1	H1	0.0°	0.0°
O1	C2	C1	H2	120.0°	120.0°
O1	C2	C1	H3	120.0°	120.1°
C2	C3	C4	C5	179.7°	179.8°
C2	C3	C4	C6	179.7°	180.0°
C2	C3	C5	C7	179.5°	179.7°
C3	C2	C1	H1	178.5°	179.7°
C3	C2	C1	H2	58.5°	59.7°
C3	C2	C1	H3	61.5°	60.3°
C2	C3	C4	H4	0.3°	0.0°
C2	C3	C5	H10	0.5°	0.0°
C3	C4	C6	H4	180.0°	180.0°
C3	C4	C6	C8	0.1°	0.0°
C4	C3	C5	C7	0.2°	0.5°
C3	C4	C6	H5	180.0°	180.0°
C4	C3	C5	H10	179.8°	179.8°
C6	C4	C3	C5	0.0°	0.2°
C4	C6	C8	H5	180.0°	180.0°
C4	C6	C8	C7	0.0°	0.0°
C4	C6	C8	C11	179.8°	180.0°
C3	C5	C7	H10	180.0°	179.7°
C3	C5	C7	C8	0.3°	0.5°
C3	C5	C7	C9	179.8°	179.7°
C5	C3	C4	H4	180.0°	179.8°
C6	C8	C7	C5	0.2°	0.2°
C6	C8	C7	C11	179.7°	180.0°
C6	C8	C7	C9	179.8°	180.0°
C6	C8	C11	C12	180.0°	180.0°
C8	C6	C4	H4	179.9°	180.0°
C6	C8	C11	H6	0.0°	0.1°
C5	C7	C8	C9	179.5°	179.8°
C5	C7	C8	C11	180.0°	179.7°
C5	C7	C9	C10	179.8°	179.7°
C5	C7	C9	H9	0.2°	0.3°
C7	C8	C11	C12	0.3°	0.0°
C8	C7	C9	C10	0.7°	0.0°
C7	C8	C6	H5	179.9°	180.0°
C7	C8	C11	H6	179.7°	180.0°
C8	C7	C9	H9	179.3°	179.9°
C8	C7	C5	H10	179.7°	179.8°
C11	C8	C7	C9	0.5°	0.0°
C8	C11	C12	H6	180.0°	179.9°
C8	C11	C12	C10	0.2°	0.0°
C11	C8	C6	H5	0.2°	0.0°
C8	C11	C12	H7	179.8°	180.0°
C7	C9	C10	H9	180.0°	180.0°
C7	C9	C10	C12	0.6°	0.0°
C7	C9	C10	H8	179.4°	180.0°
C9	C7	C5	H10	0.1°	0.0°
C11	C12	C10	C9	0.3°	0.0°
C11	C12	C10	H7	180.0°	179.9°
C11	C12	C10	H8	179.7°	180.0°
C9	C10	C12	H8	180.0°	180.0°
C9	C10	C12	H7	179.7°	180.0°
C10	C12	C11	H6	179.8°	180.0°
C12	C10	C9	H9	179.4°	179.9°
H1	C1	H2	H3	120.0°	119.9°
H4	C4	C6	H5	0.0°	0.0°
H6	C11	C12	H7	0.2°	0.1°
H7	C12	C10	H8	0.4°	0.0°
H8	C10	C9	H9	0.6°	0.1°

Release date:	2020-12-30
Definition date:	2020-06-01
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ
Derived from:	7C8A