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Summary Geometry Related PDB entries

Obsolete: ICI

ICI was replaced with ICT on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.48Å
C1	O1	doub	1.21Å	1.28Å
C1	O2	sing	1.34Å	1.25Å
C2	C3	sing	1.53Å	1.53Å
C2	O7	sing	1.43Å	1.48Å
C2	H2	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.53Å
C3	C6	sing	1.51Å	1.46Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.51Å	1.51Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.11Å
C5	O3	doub	1.21Å	1.26Å
C5	O4	sing	1.34Å	1.24Å
C6	O5	doub	1.21Å	1.20Å
C6	O6	sing	1.34Å	1.23Å
O2	HO2	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
O7	HO7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	122.5°	120.1°
C2	C1	O2	115.5°	120.0°
C1	C2	C3	101.7°	109.5°
C1	C2	O7	98.7°	109.4°
C1	C2	H2	126.5°	109.4°
O1	C1	O2	122.0°	120.0°
C1	O2	HO2	115.5°	120.0°
C3	C2	O7	123.8°	109.5°
C3	C2	H2	102.8°	109.5°
C2	C3	C4	111.1°	109.4°
C2	C3	C6	136.6°	109.5°
C2	C3	H3	84.0°	109.5°
O7	C2	H2	105.6°	109.5°
C2	O7	HO7	98.7°	106.8°
C4	C3	C6	94.2°	109.5°
C4	C3	H3	133.3°	109.4°
C3	C4	C5	104.8°	109.6°
C3	C4	H41	114.0°	109.5°
C3	C4	H42	113.9°	109.4°
C6	C3	H3	104.1°	109.5°
C3	C6	O5	112.0°	120.0°
C3	C6	O6	132.8°	120.0°
C5	C4	H41	113.9°	109.5°
C5	C4	H42	113.9°	109.4°
C4	C5	O3	125.0°	119.9°
C4	C5	O4	111.6°	120.1°
H41	C4	H42	96.6°	109.4°
O3	C5	O4	123.4°	120.0°
C5	O4	HO4	111.6°	120.0°
O5	C6	O6	115.0°	120.0°
C6	O6	HO6	132.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O2	178.7°	180.0°
C1	C2	C3	O7	108.9°	119.9°
C1	C2	C3	H2	132.1°	120.0°
C1	C2	O7	H2	131.9°	119.9°
C1	C2	C3	C4	166.7°	180.0°
C1	C2	C3	C6	71.8°	60.0°
C1	C2	C3	H3	32.4°	60.1°
C2	C1	O2	HO2	180.0°	179.9°
C1	C2	O7	HO7	180.0°	60.0°
O1	C1	C2	C3	113.3°	119.9°
O1	C1	C2	O7	14.1°	0.0°
O1	C1	C2	H2	130.9°	120.0°
O1	C1	O2	HO2	1.2°	0.0°
O2	C1	C2	C3	67.9°	60.0°
O2	C1	C2	O7	164.7°	180.0°
O2	C1	C2	H2	47.9°	60.0°
C3	C2	O7	H2	117.7°	120.1°
C2	C3	C4	C6	144.0°	120.0°
C2	C3	C4	H3	102.1°	120.0°
C2	C3	C6	H3	96.2°	120.1°
C2	C3	C4	C5	41.9°	66.2°
C2	C3	C4	H41	167.1°	173.6°
C2	C3	C4	H42	83.4°	53.7°
C2	C3	C6	O5	49.1°	4.6°
C2	C3	C6	O6	126.3°	175.5°
C3	C2	O7	HO7	69.6°	60.0°
O7	C2	C3	C4	84.3°	60.1°
O7	C2	C3	C6	37.2°	59.9°
O7	C2	C3	H3	141.4°	180.0°
H2	C2	C3	C4	34.7°	60.0°
H2	C2	C3	C6	156.1°	180.0°
H2	C2	C3	H3	99.7°	59.9°
H2	C2	O7	HO7	48.1°	179.9°
C4	C3	C6	H3	136.7°	119.9°
C3	C4	C5	H41	125.3°	120.2°
C3	C4	C5	H42	125.2°	119.9°
C3	C4	H41	H42	119.9°	119.9°
C3	C4	C5	O3	53.6°	6.2°
C3	C4	C5	O4	125.8°	173.9°
C4	C3	C6	O5	176.2°	124.6°
C4	C3	C6	O6	0.8°	55.5°
C6	C3	C4	C5	174.1°	173.7°
C6	C3	C4	H41	48.9°	53.6°
C6	C3	C4	H42	60.6°	66.3°
C3	C6	O5	O6	176.2°	179.9°
C3	C6	O6	HO6	180.0°	179.9°
H3	C3	C4	C5	60.2°	53.7°
H3	C3	C4	H41	65.0°	66.4°
H3	C3	C4	H42	174.5°	173.7°
H3	C3	C6	O5	47.2°	115.4°
H3	C3	C6	O6	137.5°	64.4°
C5	C4	H41	H42	119.9°	119.9°
C4	C5	O3	O4	179.4°	179.9°
C4	C5	O4	HO4	180.0°	180.0°
H41	C4	C5	O3	71.6°	114.0°
H41	C4	C5	O4	108.9°	66.0°
H42	C4	C5	O3	178.9°	126.1°
H42	C4	C5	O4	0.6°	54.0°
O3	C5	O4	HO4	0.5°	0.0°
O5	C6	O6	HO6	4.8°	0.0°

246704

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