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Summary Geometry Related PDB entries

NAS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	O1S	doub	1.42Å	1.46Å
S	O2S	doub	1.42Å	1.46Å
S	O3S	sing	1.52Å	1.80Å
S	C2	sing	1.76Å	1.78Å
O3S	HOS3	sing	0.97Å	0.95Å
C1	C2	doub	1.36Å	1.39Å	Aromatic
C1	C9	sing	1.41Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.39Å	1.38Å	Aromatic
C3	C4	doub	1.36Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C10	sing	1.41Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.36Å	1.38Å	Aromatic
C5	C10	sing	1.41Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C7	sing	1.39Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	doub	1.36Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	sing	1.41Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	doub	1.42Å	1.43Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1S	S	O2S	111.0°	125.3°
O1S	S	O3S	104.2°	105.7°
O1S	S	C2	108.2°	105.8°
O2S	S	O3S	111.2°	105.8°
O2S	S	C2	109.5°	105.7°
O3S	S	C2	112.7°	107.4°
S	O3S	HOS3	104.2°	106.8°
S	C2	C1	121.4°	119.5°
S	C2	C3	119.2°	119.5°
C2	C1	C9	119.9°	119.7°
C2	C1	H1	119.6°	120.2°
C1	C2	C3	119.4°	121.0°
C9	C1	H1	120.5°	120.1°
C1	C9	C8	120.9°	121.3°
C1	C9	C10	119.5°	119.4°
C2	C3	C4	122.2°	121.0°
C2	C3	H3	119.1°	119.5°
C4	C3	H3	118.7°	119.5°
C3	C4	C10	119.4°	119.6°
C3	C4	H4	119.9°	120.2°
C10	C4	H4	120.7°	120.1°
C4	C10	C5	120.4°	121.3°
C4	C10	C9	119.6°	119.4°
C6	C5	C10	119.3°	119.6°
C6	C5	H5	119.5°	120.2°
C5	C6	C7	120.8°	121.0°
C5	C6	H6	119.3°	119.5°
C10	C5	H5	121.2°	120.1°
C5	C10	C9	120.0°	119.4°
C7	C6	H6	119.9°	119.6°
C6	C7	C8	121.0°	121.0°
C6	C7	H7	119.2°	119.4°
C8	C7	H7	119.7°	119.5°
C7	C8	C9	119.2°	119.6°
C7	C8	H8	120.4°	120.2°
C9	C8	H8	120.3°	120.2°
C8	C9	C10	119.6°	119.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1S	S	O2S	O3S	115.4°	123.1°
O1S	S	O2S	C2	119.4°	123.2°
O1S	S	O3S	C2	117.0°	112.6°
O1S	S	O3S	HOS3	180.0°	67.4°
O1S	S	C2	C1	176.0°	157.1°
O1S	S	C2	C3	3.7°	22.6°
O2S	S	O3S	C2	123.4°	112.6°
O2S	S	O3S	HOS3	60.4°	67.4°
O2S	S	C2	C1	55.0°	22.4°
O2S	S	C2	C3	124.7°	157.4°
O3S	S	C2	C1	69.4°	90.3°
O3S	S	C2	C3	110.9°	90.0°
C2	S	O3S	HOS3	63.0°	180.0°
S	C2	C1	C3	179.7°	179.7°
S	C2	C1	C9	179.7°	179.7°
S	C2	C1	H1	0.4°	0.1°
S	C2	C3	C4	179.5°	180.0°
S	C2	C3	H3	0.5°	0.0°
C2	C1	C9	H1	179.9°	179.8°
C1	C2	C3	C4	0.2°	0.2°
C1	C2	C3	H3	179.7°	179.7°
C2	C1	C9	C8	179.8°	179.8°
C2	C1	C9	C10	0.2°	0.6°
C9	C1	C2	C3	0.0°	0.5°
C1	C9	C10	C4	0.3°	0.4°
C1	C9	C10	C5	179.3°	179.7°
C1	C9	C8	C7	179.1°	179.6°
C1	C9	C8	C10	179.6°	179.6°
C1	C9	C8	H8	0.9°	0.3°
H1	C1	C2	C3	179.9°	179.7°
H1	C1	C9	C8	0.3°	0.0°
H1	C1	C9	C10	179.8°	179.6°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C10	0.1°	0.0°
C2	C3	C4	H4	179.9°	180.0°
C3	C4	C10	H4	180.0°	180.0°
C3	C4	C10	C5	179.5°	180.0°
C3	C4	C10	C9	0.1°	0.1°
H3	C3	C4	C10	179.8°	180.0°
H3	C3	C4	H4	0.1°	0.0°
C4	C10	C5	C6	179.6°	180.0°
C4	C10	C5	C9	179.6°	179.9°
C4	C10	C5	H5	0.4°	0.0°
C4	C10	C9	C8	179.9°	180.0°
H4	C4	C10	C5	0.5°	0.0°
H4	C4	C10	C9	179.8°	179.9°
C6	C5	C10	H5	180.0°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.1°	0.1°
C5	C6	C7	H7	180.0°	180.0°
C6	C5	C10	C9	0.0°	0.1°
C10	C5	C6	C7	0.1°	0.0°
C10	C5	C6	H6	179.9°	180.0°
C5	C10	C9	C8	0.3°	0.1°
H5	C5	C6	C7	179.9°	180.0°
H5	C5	C6	H6	0.1°	0.0°
H5	C5	C10	C9	180.0°	179.9°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.3°	0.1°
C6	C7	C8	H8	179.6°	180.0°
H6	C6	C7	C8	179.9°	179.9°
H6	C6	C7	H7	0.0°	0.0°
C7	C8	C9	H8	179.9°	180.0°
C7	C8	C9	C10	0.4°	0.0°
H7	C7	C8	C9	179.7°	180.0°
H7	C7	C8	H8	0.4°	0.1°
H8	C8	C9	C10	179.5°	179.9°

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