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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	sing	1.51Å	1.51Å
C4	C3	sing	1.51Å	1.52Å
C4	O4L	doub	1.21Å	1.29Å
C5	C6	sing	1.51Å	1.52Å
C5	HC51	sing	1.09Å	1.11Å
C5	HC52	sing	1.09Å	1.12Å
C6	O6	doub	1.21Å	1.24Å
C6	C7	sing	1.51Å	1.53Å
C7	HC1	sing	1.09Å	1.11Å
C7	HC2	sing	1.09Å	1.12Å
C7	HC3	sing	1.09Å	1.11Å
C3	C2	sing	1.53Å	1.52Å
C3	HC31	sing	1.09Å	1.11Å
C3	HC32	sing	1.09Å	1.11Å
C2	C1	sing	1.51Å	1.51Å
C2	HC21	sing	1.09Å	1.12Å
C2	HC22	sing	1.09Å	1.11Å
C1	O1	doub	1.21Å	1.25Å
C1	OH1	sing	1.34Å	1.25Å
OH1	HH1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	117.2°	120.0°
C5	C4	O4L	121.6°	120.0°
C4	C5	C6	111.8°	109.5°
C4	C5	HC51	111.4°	109.4°
C4	C5	HC52	111.4°	109.4°
C3	C4	O4L	121.1°	120.0°
C4	C3	C2	110.8°	109.5°
C4	C3	HC31	111.7°	109.4°
C4	C3	HC32	111.7°	109.4°
C6	C5	HC51	111.3°	109.5°
C6	C5	HC52	111.3°	109.5°
C5	C6	O6	123.9°	120.0°
C5	C6	C7	117.0°	120.0°
HC51	C5	HC52	99.0°	109.5°
O6	C6	C7	119.0°	120.0°
C6	C7	HC1	117.0°	109.5°
C6	C7	HC2	109.5°	109.5°
C6	C7	HC3	109.4°	109.5°
HC1	C7	HC2	109.5°	109.5°
HC1	C7	HC3	109.5°	109.5°
HC2	C7	HC3	100.7°	109.4°
C2	C3	HC31	111.7°	109.5°
C2	C3	HC32	111.7°	109.5°
C3	C2	C1	112.3°	109.5°
C3	C2	HC21	111.2°	109.5°
C3	C2	HC22	111.2°	109.5°
HC31	C3	HC32	98.7°	109.4°
C1	C2	HC21	111.2°	109.4°
C1	C2	HC22	111.2°	109.4°
C2	C1	O1	119.2°	120.0°
C2	C1	OH1	118.0°	120.1°
HC21	C2	HC22	99.2°	109.5°
O1	C1	OH1	122.7°	120.0°
C1	OH1	HH1	118.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	O4L	177.6°	180.0°
C4	C5	C6	HC51	125.3°	120.0°
C4	C5	C6	HC52	125.3°	120.0°
C4	C5	HC51	HC52	117.2°	120.0°
C4	C5	C6	O6	144.9°	0.0°
C4	C5	C6	C7	35.1°	180.0°
C5	C4	C3	C2	75.2°	180.0°
C5	C4	C3	HC31	50.0°	60.0°
C5	C4	C3	HC32	159.5°	60.0°
C3	C4	C5	C6	172.4°	180.0°
C3	C4	C5	HC51	47.1°	60.0°
C3	C4	C5	HC52	62.4°	60.0°
C4	C3	C2	HC31	125.3°	120.0°
C4	C3	C2	HC32	125.3°	120.0°
C4	C3	HC31	HC32	117.7°	119.9°
C4	C3	C2	C1	177.8°	180.0°
C4	C3	C2	HC21	52.5°	60.0°
C4	C3	C2	HC22	56.9°	60.0°
O4L	C4	C5	C6	10.0°	0.0°
O4L	C4	C5	HC51	135.3°	120.0°
O4L	C4	C5	HC52	115.2°	120.0°
O4L	C4	C3	C2	102.4°	0.0°
O4L	C4	C3	HC31	132.4°	120.0°
O4L	C4	C3	HC32	22.9°	120.0°
C6	C5	HC51	HC52	117.2°	120.0°
C5	C6	O6	C7	180.0°	180.0°
C5	C6	C7	HC1	180.0°	180.0°
C5	C6	C7	HC2	54.7°	60.0°
C5	C6	C7	HC3	54.8°	60.0°
HC51	C5	C6	O6	19.7°	120.0°
HC51	C5	C6	C7	160.4°	60.0°
HC52	C5	C6	O6	89.8°	120.0°
HC52	C5	C6	C7	90.2°	60.0°
O6	C6	C7	HC1	0.0°	0.0°
O6	C6	C7	HC2	125.2°	120.0°
O6	C6	C7	HC3	125.3°	120.0°
C6	C7	HC1	HC2	125.3°	120.0°
C6	C7	HC1	HC3	125.2°	120.0°
C6	C7	HC2	HC3	115.2°	119.9°
HC1	C7	HC2	HC3	115.3°	120.0°
C2	C3	HC31	HC32	117.6°	120.0°
C3	C2	C1	HC21	125.3°	120.0°
C3	C2	C1	HC22	125.3°	120.0°
C3	C2	HC21	HC22	117.0°	120.0°
C3	C2	C1	O1	28.0°	0.0°
C3	C2	C1	OH1	152.3°	180.0°
HC31	C3	C2	C1	56.9°	60.0°
HC31	C3	C2	HC21	177.8°	180.0°
HC31	C3	C2	HC22	68.4°	60.0°
HC32	C3	C2	C1	52.6°	60.0°
HC32	C3	C2	HC21	72.7°	60.0°
HC32	C3	C2	HC22	177.8°	180.0°
C1	C2	HC21	HC22	117.0°	120.0°
C2	C1	O1	OH1	179.6°	180.0°
C2	C1	OH1	HH1	180.0°	180.0°
HC21	C2	C1	O1	153.3°	120.0°
HC21	C2	C1	OH1	27.1°	60.0°
HC22	C2	C1	O1	97.2°	120.0°
HC22	C2	C1	OH1	82.4°	60.0°
O1	C1	OH1	HH1	0.4°	0.0°

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PDB entries from 2024-07-17

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