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Summary Geometry Related PDB entries

025

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	S11	sing	1.76Å	1.75Å
C1	C2	doub	1.38Å	1.42Å	Aromatic
C1	C10	sing	1.38Å	1.41Å	Aromatic
S11	O24	doub	1.42Å	1.58Å
S11	O25	doub	1.42Å	1.59Å
C2	C3	sing	1.38Å	1.42Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.42Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.38Å	1.44Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.51Å	1.56Å
C5	C10	doub	1.38Å	1.43Å	Aromatic
C6	F61	sing	1.40Å	1.36Å
C6	F1	sing	1.40Å	1.37Å
C6	F6	sing	1.40Å	1.36Å
C10	H10	sing	1.08Å	1.08Å
S11	O1	sing	1.52Å	32.03Å
O1	H1	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S11	C1	C2	120.4°	120.0°
S11	C1	C10	118.5°	120.0°
C1	S11	O24	111.4°	106.4°
C1	S11	O25	110.3°	106.4°
C1	S11	O1	115.1°	107.3°
C2	C1	C10	121.1°	120.0°
C1	C2	C3	119.2°	120.0°
C1	C2	H2	120.4°	120.0°
C1	C10	C5	120.3°	120.0°
C1	C10	H10	119.9°	120.0°
O24	S11	O25	108.7°	123.1°
O24	S11	O1	132.9°	106.4°
O25	S11	O1	61.4°	106.4°
C3	C2	H2	120.4°	120.0°
C2	C3	C4	120.2°	120.0°
C2	C3	H3	119.9°	120.0°
C4	C3	H3	119.9°	120.0°
C3	C4	C5	120.6°	120.0°
C3	C4	H4	119.7°	120.0°
C5	C4	H4	119.7°	120.0°
C4	C5	C6	120.0°	120.0°
C4	C5	C10	118.7°	120.0°
C6	C5	C10	121.3°	120.0°
C5	C6	F61	110.8°	109.4°
C5	C6	F1	110.1°	109.5°
C5	C6	F6	110.9°	109.5°
C5	C10	H10	119.8°	120.1°
F61	C6	F1	108.4°	109.4°
F61	C6	F6	108.4°	109.5°
F1	C6	F6	108.2°	109.5°
S11	O1	H1	90.0°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S11	C1	C2	C10	180.0°	179.8°
C1	S11	O24	O25	121.8°	122.9°
C1	S11	O24	O1	170.3°	114.2°
C1	S11	O25	O1	108.3°	114.1°
S11	C1	C2	C3	179.7°	180.0°
S11	C1	C2	H2	0.3°	0.1°
S11	C1	C10	C5	179.7°	179.7°
S11	C1	C10	H10	0.4°	0.0°
C1	S11	O1	H1	90.0°	180.0°
C2	C1	S11	O24	119.8°	156.5°
C2	C1	S11	O25	1.0°	23.6°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.2°	0.1°
C1	C2	C3	H3	179.8°	180.0°
C2	C1	C10	C5	0.4°	0.5°
C2	C1	C10	H10	179.6°	179.8°
C2	C1	S11	O1	68.0°	89.9°
C10	C1	S11	O24	60.1°	23.3°
C10	C1	S11	O25	179.1°	156.2°
C10	C1	C2	C3	0.3°	0.2°
C10	C1	C2	H2	179.7°	179.7°
C1	C10	C5	C4	0.3°	0.5°
C1	C10	C5	C6	179.6°	179.7°
C1	C10	C5	H10	180.0°	179.7°
C10	C1	S11	O1	112.0°	90.3°
O24	S11	O25	O1	129.3°	122.9°
O24	S11	O1	H1	90.0°	66.4°
O25	S11	O1	H1	90.0°	66.5°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	H4	179.9°	179.9°
H2	C2	C3	C4	179.8°	180.0°
H2	C2	C3	H3	0.2°	0.1°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	179.8°	180.0°
C3	C4	C5	C10	0.2°	0.2°
H3	C3	C4	C5	179.9°	180.0°
H3	C3	C4	H4	0.1°	0.0°
C4	C5	C6	C10	180.0°	179.8°
C4	C5	C6	F61	60.1°	0.0°
C4	C5	C6	F1	59.8°	120.0°
C4	C5	C6	F6	179.5°	120.0°
C4	C5	C10	H10	179.7°	179.8°
H4	C4	C5	C6	0.2°	0.0°
H4	C4	C5	C10	179.8°	179.8°
C5	C6	F61	F1	120.9°	120.0°
C5	C6	F61	F6	121.9°	120.0°
C5	C6	F1	F6	121.3°	120.0°
C6	C5	C10	H10	0.4°	0.0°
C10	C5	C6	F61	119.9°	179.8°
C10	C5	C6	F1	120.2°	59.8°
C10	C5	C6	F6	0.5°	60.2°
F61	C6	F1	F6	117.3°	120.0°

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