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Summary Geometry Related PDB entries

A1H6Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	S1	doub	1.42Å	0.00Å
O1	S1	doub	1.42Å	0.00Å
S1	C1	sing	1.81Å	0.00Å
S1	C2	sing	1.76Å	0.00Å
C2	C3	doub	1.38Å	0.00Å	Aromatic
C2	C7	sing	1.38Å	0.00Å	Aromatic
C3	C4	sing	1.38Å	0.00Å	Aromatic
C7	C6	doub	1.38Å	0.00Å	Aromatic
C4	C5	doub	1.38Å	0.00Å	Aromatic
C6	C5	sing	1.38Å	0.00Å	Aromatic
C5	BR1	sing	1.89Å	0.00Å
C4	H1	sing	1.08Å	0.00Å
C6	H2	sing	1.08Å	0.00Å
C7	H3	sing	1.08Å	0.00Å
C3	H4	sing	1.08Å	0.00Å
C1	H5	sing	1.09Å	0.00Å
C1	H6	sing	1.09Å	0.00Å
C1	H7	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	S1	O1	90.0°	121.1°
O2	S1	C1	90.0°	110.5°
O2	S1	C2	90.0°	104.3°
O1	S1	C1	90.0°	110.5°
O1	S1	C2	90.0°	104.2°
C1	S1	C2	90.0°	104.4°
S1	C1	H5	90.0°	109.4°
S1	C1	H6	90.0°	109.4°
S1	C1	H7	90.0°	109.4°
S1	C2	C3	90.0°	120.0°
S1	C2	C7	90.0°	119.9°
C3	C2	C7	90.0°	120.1°
C2	C3	C4	90.0°	120.0°
C2	C3	H4	90.0°	120.0°
C2	C7	C6	90.0°	120.0°
C2	C7	H3	90.0°	120.0°
C3	C4	C5	90.0°	120.0°
C3	C4	H1	90.0°	120.1°
C4	C3	H4	90.0°	120.0°
C7	C6	C5	90.0°	120.0°
C7	C6	H2	90.0°	120.0°
C6	C7	H3	90.0°	120.0°
C4	C5	C6	90.0°	120.0°
C4	C5	BR1	90.0°	120.0°
C5	C4	H1	90.0°	120.0°
C6	C5	BR1	90.0°	120.0°
C5	C6	H2	90.0°	120.1°
H5	C1	H6	90.0°	109.6°
H5	C1	H7	90.0°	109.5°
H6	C1	H7	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	S1	O1	C1	90.0°	131.5°
O2	S1	O1	C2	90.0°	116.8°
O2	S1	C1	C2	90.0°	111.7°
O2	S1	C2	C3	90.0°	153.9°
O2	S1	C2	C7	90.0°	25.6°
O2	S1	C1	H5	90.0°	51.6°
O2	S1	C1	H6	90.0°	68.4°
O2	S1	C1	H7	90.0°	171.6°
O1	S1	C1	C2	90.0°	111.6°
O1	S1	C2	C3	90.0°	26.0°
O1	S1	C2	C7	90.0°	153.4°
O1	S1	C1	H5	90.0°	171.6°
O1	S1	C1	H6	90.0°	68.4°
O1	S1	C1	H7	90.0°	51.6°
C1	S1	C2	C3	90.0°	90.0°
C1	S1	C2	C7	90.0°	90.5°
S1	C1	H5	H6	90.0°	120.0°
S1	C1	H5	H7	90.0°	119.9°
S1	C1	H6	H7	90.0°	120.0°
S1	C2	C3	C7	90.0°	179.5°
S1	C2	C3	C4	90.0°	180.0°
S1	C2	C7	C6	90.0°	179.7°
S1	C2	C7	H3	90.0°	0.3°
S1	C2	C3	H4	90.0°	0.5°
C2	S1	C1	H5	90.0°	60.0°
C2	S1	C1	H6	90.0°	179.9°
C2	S1	C1	H7	90.0°	59.9°
C2	C3	C4	H4	90.0°	179.5°
C3	C2	C7	C6	90.0°	0.2°
C2	C3	C4	C5	90.0°	0.5°
C2	C3	C4	H1	90.0°	179.7°
C3	C2	C7	H3	90.0°	179.7°
C7	C2	C3	C4	90.0°	0.5°
C2	C7	C6	H3	90.0°	180.0°
C2	C7	C6	C5	90.0°	0.0°
C2	C7	C6	H2	90.0°	179.9°
C7	C2	C3	H4	90.0°	180.0°
C3	C4	C5	H1	90.0°	179.7°
C3	C4	C5	C6	90.0°	0.2°
C3	C4	C5	BR1	90.0°	179.8°
C7	C6	C5	C4	90.0°	0.0°
C7	C6	C5	H2	90.0°	179.9°
C7	C6	C5	BR1	90.0°	179.9°
C4	C5	C6	BR1	90.0°	180.0°
C4	C5	C6	H2	90.0°	179.9°
C5	C4	C3	H4	90.0°	180.0°
C6	C5	C4	H1	90.0°	180.0°
C5	C6	C7	H3	90.0°	180.0°
BR1	C5	C4	H1	90.0°	0.0°
BR1	C5	C6	H2	90.0°	0.1°
H1	C4	C3	H4	90.0°	0.2°
H2	C6	C7	H3	90.0°	0.1°
H5	C1	H6	H7	90.0°	120.1°

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