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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
AS	C1	sing	1.99Å	1.83Å
AS	C2	sing	1.99Å	1.82Å
AS	O1	sing	1.84Å	59.88Å
AS	O2	doub	1.58Å	59.88Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H23	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	AS	C2	110.8°	109.5°
C1	AS	O1	132.3°	109.5°
C1	AS	O2	132.3°	109.4°
AS	C1	H11	109.5°	109.5°
AS	C1	H12	109.5°	109.5°
AS	C1	H13	109.4°	109.5°
C2	AS	O1	61.9°	109.5°
C2	AS	O2	61.9°	109.5°
AS	C2	H21	109.5°	109.4°
AS	C2	H22	109.5°	109.5°
AS	C2	H23	109.5°	109.5°
O1	AS	O2	NaN°	109.5°
AS	O1	HO1	132.3°	114.0°
H11	C1	H12	109.5°	109.5°
H11	C1	H13	109.5°	109.4°
H12	C1	H13	109.5°	109.4°
H21	C2	H22	109.4°	109.4°
H21	C2	H23	109.4°	109.5°
H22	C2	H23	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	AS	C2	O1	127.9°	120.0°
C1	AS	C2	O2	127.9°	120.0°
C1	AS	O1	O2	90.0°	120.0°
AS	C1	H11	H12	120.0°	120.1°
AS	C1	H11	H13	120.0°	120.0°
AS	C1	H12	H13	120.0°	120.0°
C1	AS	C2	H21	166.0°	60.0°
C1	AS	C2	H22	74.0°	180.0°
C1	AS	C2	H23	46.1°	60.0°
C1	AS	O1	HO1	179.9°	60.0°
C2	AS	O1	O2	90.0°	120.0°
C2	AS	C1	H11	34.6°	60.0°
C2	AS	C1	H12	154.7°	180.0°
C2	AS	C1	H13	85.4°	60.0°
AS	C2	H21	H22	120.0°	120.0°
AS	C2	H21	H23	120.0°	120.0°
AS	C2	H22	H23	120.0°	120.0°
C2	AS	O1	HO1	86.6°	180.0°
O1	AS	C1	H11	35.8°	180.0°
O1	AS	C1	H12	84.2°	59.9°
O1	AS	C1	H13	155.8°	60.0°
O1	AS	C2	H21	66.1°	60.0°
O1	AS	C2	H22	53.9°	60.0°
O1	AS	C2	H23	173.9°	180.0°
O2	AS	C1	H11	35.8°	60.0°
O2	AS	C1	H12	84.2°	60.0°
O2	AS	C1	H13	155.8°	180.0°
O2	AS	C2	H21	66.1°	180.0°
O2	AS	C2	H22	53.9°	60.1°
O2	AS	C2	H23	173.9°	60.0°
O2	AS	O1	HO1	90.0°	60.0°
H11	C1	H12	H13	120.0°	119.9°
H21	C2	H22	H23	120.0°	120.0°

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