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Summary Geometry Related PDB entries

82N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	trip	1.25Å	1.02Å
C	NI	sing	1.92Å	1.96Å
NI	S1	sing	2.21Å	2.28Å
NI	FE3	sing	2.56Å	2.83Å
NI	S4	sing	2.21Å	2.19Å
S1	FE3	sing	2.14Å	2.27Å
S1	FE4	sing	2.28Å	2.25Å
FE1	S2	sing	2.28Å	2.28Å
FE1	S3	sing	2.27Å	2.36Å
FE1	FE3	sing	2.50Å	2.57Å
FE1	S4	sing	2.28Å	2.33Å
FE1	FE4	sing	2.50Å	2.65Å
S2	FE3	sing	2.34Å	2.28Å
S2	FE4	sing	2.27Å	2.28Å
S3	FE4	sing	2.28Å	2.26Å
FE3	S4	sing	2.14Å	2.19Å
FE3	FE4	sing	2.51Å	2.65Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	NI	171.7°	179.9°
C	NI	S1	174.5°	85.0°
C	NI	FE3	128.1°	131.3°
C	NI	S4	79.7°	175.2°
S1	NI	FE3	51.5°	52.7°
S1	NI	S4	100.8°	99.7°
NI	S1	FE3	76.9°	72.2°
NI	S1	FE4	105.8°	114.1°
FE3	NI	S4	49.7°	52.7°
NI	FE3	S1	51.7°	55.1°
NI	FE3	FE1	75.2°	96.2°
NI	FE3	S2	125.1°	146.7°
NI	FE3	S4	49.9°	55.1°
NI	FE3	FE4	82.4°	96.0°
NI	S4	FE1	93.5°	114.4°
NI	S4	FE3	80.4°	72.2°
FE3	S1	FE4	71.8°	68.9°
S1	FE3	FE1	96.4°	105.2°
S1	FE3	S2	107.3°	110.4°
S1	FE3	S4	101.2°	104.0°
S1	FE3	FE4	53.8°	58.2°
S1	FE4	FE1	94.8°	101.2°
S1	FE4	S2	108.3°	108.0°
S1	FE4	S3	109.2°	109.2°
S1	FE4	FE3	54.4°	52.9°
S2	FE1	S3	99.2°	107.5°
S2	FE1	FE3	55.7°	58.3°
S2	FE1	S4	104.5°	108.3°
S2	FE1	FE4	54.4°	56.5°
FE1	S2	FE3	68.5°	65.6°
FE1	S2	FE4	70.9°	66.7°
S3	FE1	FE3	109.3°	106.6°
S3	FE1	S4	123.4°	108.7°
S3	FE1	FE4	53.3°	56.8°
FE1	S3	FE4	70.0°	66.7°
FE3	FE1	S4	52.7°	52.9°
FE3	FE1	FE4	61.1°	60.1°
FE1	FE3	S2	55.7°	56.1°
FE1	FE3	S4	58.1°	58.1°
FE1	FE3	FE4	60.8°	59.9°
S4	FE1	FE4	104.4°	100.9°
FE1	S4	FE3	69.2°	68.9°
FE1	FE4	S2	54.7°	56.9°
FE1	FE4	S3	56.8°	56.5°
FE1	FE4	FE3	58.1°	60.0°
FE3	S2	FE4	71.1°	65.8°
S2	FE3	S4	109.5°	111.0°
S2	FE3	FE4	54.3°	55.8°
S2	FE4	S3	102.4°	107.6°
S2	FE4	FE3	54.6°	58.4°
S3	FE4	FE3	109.8°	106.3°
S4	FE3	FE4	108.7°	104.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	NI	S1	135.0°	50.9°
N	C	NI	FE3	141.4°	23.3°
N	C	NI	S4	129.3°	122.3°
C	NI	S1	FE3	87.9°	154.0°
C	NI	S1	S4	94.7°	179.4°
C	NI	FE3	S4	15.7°	176.6°
C	NI	S1	FE4	154.4°	149.8°
C	NI	FE3	FE1	76.2°	139.7°
C	NI	S4	FE1	124.2°	156.3°
C	NI	FE3	S2	102.3°	108.8°
C	NI	FE3	FE4	137.9°	79.4°
S1	NI	FE3	S4	171.3°	147.9°
NI	S1	FE3	FE4	111.8°	125.6°
NI	S1	FE3	FE1	65.4°	86.9°
S1	NI	S4	FE1	61.4°	30.5°
NI	S1	FE4	FE1	25.4°	19.9°
NI	S1	FE3	S2	121.5°	145.9°
NI	S1	FE4	S2	79.8°	78.5°
NI	S1	FE4	S3	31.0°	38.2°
NI	FE3	S2	FE1	31.0°	38.0°
NI	FE3	FE1	S3	66.1°	59.4°
NI	FE3	FE1	S4	51.6°	41.8°
NI	FE3	FE1	FE4	89.5°	93.3°
NI	FE3	S2	S4	54.1°	57.9°
NI	FE3	S2	FE4	45.3°	36.1°
NI	FE3	FE4	S3	52.7°	60.1°
NI	FE3	S4	FE4	62.2°	86.9°
S4	NI	S1	FE4	59.7°	30.8°
NI	S4	FE1	S2	100.2°	77.3°
NI	S4	FE1	S3	11.4°	39.3°
NI	S4	FE1	FE4	43.8°	19.2°
S1	FE3	S2	FE1	85.9°	95.0°
S1	FE3	FE1	S3	18.6°	4.0°
S1	FE3	FE1	S4	99.2°	97.3°
S1	FE3	FE1	FE4	42.0°	37.9°
S1	FE3	S2	S4	109.0°	114.9°
S1	FE3	S2	FE4	9.6°	20.8°
S1	FE3	FE4	S3	100.0°	102.1°
S1	FE3	S4	FE4	55.3°	60.3°
S1	FE4	S2	FE1	82.8°	91.8°
S1	FE4	S3	FE1	83.0°	90.9°
S1	FE4	FE1	S4	11.3°	0.4°
S1	FE4	S2	S3	115.3°	117.8°
S2	FE1	S3	FE3	56.8°	61.3°
S2	FE1	S3	S4	114.2°	117.0°
S2	FE1	S3	FE4	31.1°	26.0°
S2	FE1	FE3	S4	154.2°	158.0°
S2	FE1	FE3	FE4	64.6°	66.8°
S2	FE1	S4	FE4	56.3°	58.1°
S3	FE1	FE3	S4	117.8°	101.3°
S3	FE1	FE3	FE4	23.4°	33.9°
S3	FE1	S4	FE4	55.2°	58.5°
FE3	FE1	S4	FE4	34.5°	38.5°
S2	FE3	FE4	S3	91.4°	101.0°
S2	FE3	S4	FE4	57.8°	58.5°
S3	FE4	FE3	S4	9.6°	4.6°

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