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Summary Geometry Related PDB entries

PMF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	doub	1.38Å	0.00Å	Aromatic
C9	C5	sing	1.38Å	0.00Å	Aromatic
C9	HC9	sing	1.08Å	0.00Å
C10	C8	sing	1.38Å	0.00Å	Aromatic
C10	H10C	sing	1.08Å	0.00Å
C5	C7	doub	1.38Å	0.00Å	Aromatic
C5	HC5	sing	1.08Å	0.00Å
C7	C6	sing	1.38Å	0.00Å	Aromatic
C7	HC7	sing	1.08Å	0.00Å
C6	C8	doub	1.38Å	0.00Å	Aromatic
C6	HC6	sing	1.08Å	0.00Å
C8	C4	sing	1.51Å	0.00Å
C4	S1	sing	1.81Å	0.00Å
C4	HC41	sing	1.09Å	0.00Å
C4	HC42	sing	1.09Å	0.00Å
O2	S1	doub	1.42Å	0.00Å
O1	S1	doub	1.42Å	0.00Å
S1	F1	sing	1.61Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C5	90.0°	120.0°
C10	C9	HC9	90.0°	120.0°
C9	C10	C8	90.0°	120.0°
C9	C10	H10C	90.0°	120.1°
C5	C9	HC9	90.0°	120.0°
C9	C5	C7	90.0°	120.0°
C9	C5	HC5	90.0°	120.0°
C8	C10	H10C	90.0°	120.0°
C10	C8	C6	90.0°	120.0°
C10	C8	C4	90.0°	120.0°
C7	C5	HC5	90.0°	120.0°
C5	C7	C6	90.0°	120.0°
C5	C7	HC7	90.0°	120.0°
C6	C7	HC7	90.0°	120.0°
C7	C6	C8	90.0°	120.0°
C7	C6	HC6	90.0°	120.0°
C8	C6	HC6	90.0°	120.0°
C6	C8	C4	90.0°	120.0°
C8	C4	S1	90.0°	109.5°
C8	C4	HC41	90.0°	109.5°
C8	C4	HC42	90.0°	109.5°
S1	C4	HC41	90.0°	109.5°
S1	C4	HC42	90.0°	109.4°
C4	S1	O2	90.0°	111.6°
C4	S1	O1	90.0°	111.6°
C4	S1	F1	90.0°	103.2°
HC41	C4	HC42	90.0°	109.5°
O2	S1	O1	90.0°	122.1°
O2	S1	F1	90.0°	102.8°
O1	S1	F1	90.0°	102.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C5	HC9	90.0°	179.9°
C9	C10	C8	H10C	90.0°	179.6°
C10	C9	C5	C7	90.0°	0.2°
C10	C9	C5	HC5	90.0°	179.9°
C9	C10	C8	C6	90.0°	0.5°
C9	C10	C8	C4	90.0°	179.8°
C5	C9	C10	C8	90.0°	0.4°
C5	C9	C10	H10C	90.0°	180.0°
C9	C5	C7	HC5	90.0°	180.0°
C9	C5	C7	C6	90.0°	0.0°
C9	C5	C7	HC7	90.0°	180.0°
HC9	C9	C10	C8	90.0°	179.7°
HC9	C9	C10	H10C	90.0°	0.1°
HC9	C9	C5	C7	90.0°	179.9°
HC9	C9	C5	HC5	90.0°	0.0°
C10	C8	C6	C7	90.0°	0.3°
C10	C8	C6	C4	90.0°	179.7°
C10	C8	C6	HC6	90.0°	179.7°
C10	C8	C4	S1	90.0°	90.3°
C10	C8	C4	HC41	90.0°	149.7°
C10	C8	C4	HC42	90.0°	29.7°
H10C	C10	C8	C6	90.0°	180.0°
H10C	C10	C8	C4	90.0°	0.2°
C5	C7	C6	HC7	90.0°	180.0°
C5	C7	C6	C8	90.0°	0.0°
C5	C7	C6	HC6	90.0°	180.0°
HC5	C5	C7	C6	90.0°	179.9°
HC5	C5	C7	HC7	90.0°	0.1°
C7	C6	C8	HC6	90.0°	180.0°
C7	C6	C8	C4	90.0°	180.0°
HC7	C7	C6	C8	90.0°	180.0°
HC7	C7	C6	HC6	90.0°	0.0°
C6	C8	C4	S1	90.0°	90.0°
C6	C8	C4	HC41	90.0°	30.0°
C6	C8	C4	HC42	90.0°	150.0°
HC6	C6	C8	C4	90.0°	0.0°
C8	C4	S1	HC41	90.0°	120.0°
C8	C4	S1	HC42	90.0°	120.0°
C8	C4	HC41	HC42	90.0°	120.0°
C8	C4	S1	O2	90.0°	80.6°
C8	C4	S1	O1	90.0°	60.0°
C8	C4	S1	F1	90.0°	169.7°
S1	C4	HC41	HC42	90.0°	120.0°
C4	S1	O2	O1	90.0°	135.8°
C4	S1	O2	F1	90.0°	110.0°
C4	S1	O1	F1	90.0°	110.0°
HC41	C4	S1	O2	90.0°	39.4°
HC41	C4	S1	O1	90.0°	180.0°
HC41	C4	S1	F1	90.0°	70.2°
HC42	C4	S1	O2	90.0°	159.4°
HC42	C4	S1	O1	90.0°	60.0°
HC42	C4	S1	F1	90.0°	49.7°
O2	S1	O1	F1	90.0°	114.3°

219140

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