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Summary Geometry Related PDB entries

F0J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.42Å
O1	C2	sing	1.36Å	1.36Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C2	C7	sing	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.39Å	1.38Å	Aromatic
C7	C6	doub	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.39Å	1.40Å	Aromatic
C5	O3	sing	1.36Å	1.36Å
C6	O2	sing	1.36Å	1.37Å
C8	O2	sing	1.43Å	1.42Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
O3	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C2	118.8°	117.0°
O1	C1	H1	109.5°	109.5°
O1	C1	H2	109.5°	109.5°
O1	C1	H3	109.5°	109.4°
O1	C2	C3	125.2°	120.0°
O1	C2	C7	114.5°	120.0°
C2	C3	C4	119.6°	120.1°
C3	C2	C7	120.3°	120.0°
C2	C3	H4	120.2°	120.0°
C3	C4	C5	120.6°	120.0°
C4	C3	H4	120.2°	119.9°
C3	C4	H5	119.7°	120.0°
C2	C7	C6	120.0°	119.9°
C2	C7	H6	120.0°	120.0°
C4	C5	C6	119.8°	119.9°
C4	C5	O3	120.9°	120.0°
C5	C4	H5	119.7°	120.0°
C7	C6	C5	119.7°	120.0°
C7	C6	O2	125.3°	120.0°
C6	C7	H6	120.0°	120.0°
C6	C5	O3	119.2°	120.0°
C5	C6	O2	115.1°	120.0°
C5	O3	H10	109.5°	114.0°
C6	O2	C8	117.9°	117.1°
O2	C8	H7	109.5°	109.5°
O2	C8	H8	109.5°	109.4°
O2	C8	H9	109.5°	109.5°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H7	C8	H8	109.5°	109.5°
H7	C8	H9	109.5°	109.5°
H8	C8	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O1	C2	C3	15.7°	0.1°
C1	O1	C2	C7	163.4°	180.0°
O1	C1	H1	H2	120.0°	120.0°
O1	C1	H1	H3	120.0°	119.9°
O1	C1	H2	H3	120.0°	119.9°
O1	C2	C3	C7	179.1°	180.0°
O1	C2	C3	C4	179.7°	180.0°
O1	C2	C7	C6	179.8°	180.0°
C2	O1	C1	H1	180.0°	180.0°
C2	O1	C1	H2	60.0°	59.9°
C2	O1	C1	H3	60.0°	60.1°
O1	C2	C3	H4	0.3°	0.3°
O1	C2	C7	H6	0.3°	0.0°
C2	C3	C4	H4	180.0°	179.8°
C2	C3	C4	C5	0.4°	0.0°
C3	C2	C7	C6	1.1°	0.0°
C2	C3	C4	H5	179.6°	180.0°
C3	C2	C7	H6	178.9°	180.0°
C4	C3	C2	C7	0.6°	0.0°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	C5	C6	0.7°	0.1°
C3	C4	C5	O3	178.5°	180.0°
C2	C7	C6	H6	180.0°	180.0°
C2	C7	C6	C5	1.3°	0.0°
C2	C7	C6	O2	178.8°	180.0°
C7	C2	C3	H4	179.4°	179.8°
C4	C5	C6	C7	1.1°	0.1°
C4	C5	C6	O3	179.1°	179.9°
C4	C5	C6	O2	179.0°	180.0°
C5	C4	C3	H4	179.6°	179.8°
C4	C5	O3	H10	180.0°	89.9°
C7	C6	C5	O2	179.9°	180.0°
C7	C6	C5	O3	178.0°	180.0°
C7	C6	O2	C8	28.2°	0.0°
C5	C6	O2	C8	151.9°	180.0°
C6	C5	C4	H5	179.3°	180.0°
C5	C6	C7	H6	178.7°	180.0°
C6	C5	O3	H10	0.9°	90.0°
O3	C5	C6	O2	1.9°	0.0°
O3	C5	C4	H5	1.6°	0.0°
O2	C6	C7	H6	1.2°	0.0°
C6	O2	C8	H7	180.0°	180.0°
C6	O2	C8	H8	60.0°	60.0°
C6	O2	C8	H9	60.0°	59.9°
O2	C8	H7	H8	120.0°	120.0°
O2	C8	H7	H9	120.0°	120.0°
O2	C8	H8	H9	120.0°	120.0°
H1	C1	H2	H3	120.0°	120.1°
H4	C3	C4	H5	0.4°	0.2°
H7	C8	H8	H9	120.0°	120.0°

218853

건을2024-04-24부터공개중

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