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Summary Geometry Related PDB entries

S3F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE4	S1	sing	0.00Å	2.36Å
S3	FE2	sing	0.00Å	2.21Å
S3	FE3	sing	0.00Å	2.22Å
S1	FE2	sing	0.00Å	2.26Å
S1	FE1	sing	0.00Å	2.48Å
FE2	S2	sing	0.00Å	2.34Å
FE3	S2	sing	0.00Å	2.24Å
FE1	S2	sing	0.00Å	2.24Å
FE1	O1	sing	0.00Å	1.81Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FE4	S1	FE2	106.1°	90.0°
FE4	S1	FE1	78.9°	90.0°
FE2	S3	FE3	77.1°	90.0°
S3	FE2	S1	114.7°	90.0°
S3	FE2	S2	100.4°	90.0°
S3	FE3	S2	103.0°	90.0°
FE2	S1	FE1	65.1°	90.0°
S1	FE2	S2	110.3°	90.0°
S1	FE1	S2	105.9°	90.0°
S1	FE1	O1	169.2°	90.0°
FE2	S2	FE3	74.1°	90.0°
FE2	S2	FE1	67.8°	90.0°
FE3	S2	FE1	103.0°	90.0°
S2	FE1	O1	74.7°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
FE4	S1	FE2	S3	18.3°	90.0°
FE4	S1	FE2	FE1	69.2°	90.0°
FE4	S1	FE2	S2	94.2°	90.0°
FE4	S1	FE1	S2	139.1°	90.0°
FE4	S1	FE1	O1	47.3°	90.0°
S3	FE2	S1	S2	112.5°	90.0°
S3	FE2	S1	FE1	87.5°	90.0°
FE2	S3	FE3	S2	18.2°	90.0°
S3	FE2	S2	FE1	94.2°	90.0°
FE3	S3	FE2	S1	135.6°	90.0°
S3	FE3	S2	FE1	44.6°	90.0°
S1	FE2	S2	FE3	138.8°	90.0°
FE2	S1	FE1	S2	25.4°	90.0°
FE2	S1	FE1	O1	66.5°	90.0°
S1	FE1	S2	FE3	90.5°	90.0°
S1	FE1	S2	O1	168.8°	90.0°
FE2	S2	FE3	FE1	62.0°	90.0°
FE2	S2	FE1	O1	144.9°	90.0°
FE3	S2	FE1	O1	78.3°	90.0°

224004

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