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Summary Geometry Related PDB entries

2FX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	O1	sing	1.34Å	1.33Å
O1	HO1	sing	0.97Å	0.95Å
C13	C2	sing	1.51Å	1.50Å
O3	C2	doub	1.21Å	1.21Å
S12	C4	sing	1.75Å	1.73Å	Aromatic
C5	C4	doub	1.32Å	1.42Å	Aromatic
C4	C13	sing	1.51Å	1.53Å
C6	C5	sing	1.45Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C7	C6	doub	1.41Å	1.40Å	Aromatic
C11	C6	sing	1.40Å	1.41Å	Aromatic
C8	C7	sing	1.36Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C9	C8	doub	1.39Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C10	sing	1.37Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C10	C11	doub	1.40Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	S12	sing	1.76Å	1.73Å	Aromatic
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O1	HO1	109.5°	117.1°
O1	C2	C13	120.4°	120.0°
O1	C2	O3	117.2°	120.0°
C13	C2	O3	122.3°	120.0°
C2	C13	C4	116.4°	109.5°
C2	C13	H13	107.2°	109.5°
C2	C13	H13A	107.2°	109.4°
S12	C4	C5	101.7°	111.4°
S12	C4	C13	116.0°	124.3°
C4	S12	C11	102.0°	92.2°
C5	C4	C13	142.3°	124.3°
C4	C5	C6	117.2°	114.9°
C4	C5	H5	121.4°	122.5°
C4	C13	H13	107.2°	109.5°
C4	C13	H13A	107.2°	109.5°
C6	C5	H5	121.4°	122.6°
C5	C6	C7	128.3°	129.3°
C5	C6	C11	116.6°	111.9°
C7	C6	C11	115.1°	118.8°
C6	C7	C8	119.9°	120.4°
C6	C7	H7	120.0°	119.8°
C6	C11	C10	125.9°	119.8°
C6	C11	S12	102.4°	109.7°
C8	C7	H7	120.0°	119.8°
C7	C8	C9	123.7°	120.6°
C7	C8	H8	118.1°	119.7°
C9	C8	H8	118.2°	119.7°
C8	C9	C10	118.2°	120.2°
C8	C9	H9	120.9°	119.9°
C10	C9	H9	120.9°	119.9°
C9	C10	C11	117.2°	120.1°
C9	C10	H10	121.4°	119.9°
C11	C10	H10	121.4°	120.0°
C10	C11	S12	131.7°	130.5°
H13	C13	H13A	111.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C13	O3	179.9°	180.0°
O1	C2	C13	C4	175.6°	180.0°
O1	C2	C13	H13	55.7°	60.0°
O1	C2	C13	H13A	64.4°	60.0°
HO1	O1	C2	C13	179.9°	180.0°
HO1	O1	C2	O3	0.0°	0.0°
C2	C13	C4	S12	178.7°	90.3°
C2	C13	C4	C5	2.9°	90.0°
C2	C13	C4	H13	120.0°	120.0°
C2	C13	C4	H13A	120.0°	120.0°
C2	C13	H13	H13A	117.2°	120.0°
O3	C2	C13	C4	4.5°	0.0°
O3	C2	C13	H13	124.5°	120.0°
O3	C2	C13	H13A	115.5°	120.0°
S12	C4	C5	C13	178.6°	179.8°
S12	C4	C5	C6	0.1°	0.3°
S12	C4	C5	H5	179.9°	179.8°
C4	S12	C11	C6	0.5°	0.3°
C4	S12	C11	C10	179.8°	179.9°
S12	C4	C13	H13	58.7°	149.7°
S12	C4	C13	H13A	61.4°	29.7°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	180.0°	180.0°
C4	C5	C6	C11	0.6°	0.0°
C5	C4	S12	C11	0.3°	0.3°
C5	C4	C13	H13	122.9°	30.0°
C5	C4	C13	H13A	117.1°	150.0°
C13	C4	C5	C6	178.5°	180.0°
C13	C4	C5	H5	1.5°	0.0°
C13	C4	S12	C11	179.3°	179.9°
C4	C13	H13	H13A	117.1°	120.0°
C5	C6	C7	C11	179.5°	180.0°
C5	C6	C7	C8	177.9°	180.0°
C5	C6	C7	H7	2.1°	0.0°
C5	C6	C11	C10	180.0°	180.0°
C5	C6	C11	S12	0.7°	0.3°
H5	C5	C6	C7	0.0°	0.0°
H5	C5	C6	C11	179.4°	180.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	2.5°	0.1°
C6	C7	C8	H8	177.5°	180.0°
C7	C6	C11	C10	0.4°	0.0°
C7	C6	C11	S12	179.8°	179.8°
C11	C6	C7	C8	1.5°	0.0°
C11	C6	C7	H7	178.5°	180.0°
C6	C11	C10	C9	1.5°	0.0°
C6	C11	C10	S12	179.1°	179.7°
C6	C11	C10	H10	178.6°	180.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	1.4°	0.1°
C7	C8	C9	H9	178.5°	179.9°
H7	C7	C8	C9	177.4°	180.0°
H7	C7	C8	H8	2.6°	0.1°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C11	0.5°	0.0°
C8	C9	C10	H10	179.5°	180.0°
H8	C8	C9	C10	178.6°	180.0°
H8	C8	C9	H9	1.4°	0.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	S12	179.4°	179.7°
H9	C9	C10	C11	179.5°	180.0°
H9	C9	C10	H10	0.5°	0.0°
H10	C10	C11	S12	0.6°	0.3°

219140

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