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Summary Geometry Related PDB entries

A1IEO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	O9	sing	1.45Å	1.48Å
O9	C8	sing	1.35Å	1.33Å
O11	C8	doub	1.22Å	1.30Å
C8	C3	sing	1.48Å	1.45Å
C3	C4	doub	1.40Å	1.43Å	Aromatic
C3	C2	sing	1.40Å	1.37Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.36Å	Aromatic
C1	C6	sing	1.39Å	1.40Å	Aromatic
C1	S12	sing	1.76Å	1.76Å
C6	CL7	sing	1.74Å	1.70Å
N15	S12	sing	1.66Å	1.57Å
O14	S12	doub	1.42Å	1.42Å
S12	O13	doub	1.42Å	1.44Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
N15	H4	sing	0.97Å	1.00Å
N15	H5	sing	0.97Å	1.00Å
C5	H6	sing	1.08Å	1.08Å
C4	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O9	C8	120.8°	117.0°
O9	C10	H1	109.5°	109.4°
O9	C10	H2	109.5°	109.4°
O9	C10	H3	109.5°	109.5°
O9	C8	O11	116.8°	120.0°
O9	C8	C3	119.4°	120.0°
O11	C8	C3	123.1°	120.0°
C8	C3	C4	115.6°	120.1°
C8	C3	C2	124.1°	120.2°
C4	C3	C2	120.3°	119.7°
C3	C4	C5	116.6°	119.8°
C3	C4	H7	121.7°	120.1°
C3	C2	C1	122.3°	119.9°
C3	C2	H8	118.9°	120.1°
C4	C5	C6	122.3°	120.1°
C4	C5	H6	118.9°	119.9°
C5	C4	H7	121.7°	120.1°
C2	C1	C6	117.6°	120.1°
C2	C1	S12	120.8°	119.9°
C1	C2	H8	118.9°	120.0°
C5	C6	C1	120.6°	120.3°
C5	C6	CL7	117.7°	119.8°
C6	C5	H6	118.9°	120.0°
C6	C1	S12	121.4°	120.0°
C1	C6	CL7	121.7°	119.9°
C1	S12	N15	109.1°	107.2°
C1	S12	O14	103.1°	106.4°
C1	S12	O13	107.2°	106.3°
N15	S12	O14	109.6°	106.4°
N15	S12	O13	109.5°	106.4°
S12	N15	H4	109.5°	120.0°
S12	N15	H5	109.5°	120.0°
O14	S12	O13	117.9°	123.2°
H1	C10	H2	109.4°	109.5°
H1	C10	H3	109.4°	109.5°
H2	C10	H3	109.5°	109.5°
H4	N15	H5	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	O9	C8	O11	8.9°	0.0°
C10	O9	C8	C3	180.0°	180.0°
O9	C10	H1	H2	120.0°	120.0°
O9	C10	H1	H3	120.0°	120.0°
O9	C10	H2	H3	120.0°	120.0°
O9	C8	O11	C3	170.8°	180.0°
O9	C8	C3	C4	159.5°	0.0°
O9	C8	C3	C2	18.5°	179.8°
C8	O9	C10	H1	180.0°	60.0°
C8	O9	C10	H2	60.0°	180.0°
C8	O9	C10	H3	60.0°	60.0°
O11	C8	C3	C4	30.0°	180.0°
O11	C8	C3	C2	152.1°	0.3°
C8	C3	C4	C2	178.0°	179.8°
C8	C3	C4	C5	179.2°	180.0°
C8	C3	C2	C1	177.4°	179.7°
C8	C3	C4	H7	0.8°	0.0°
C8	C3	C2	H8	2.6°	0.3°
C3	C4	C5	H7	180.0°	180.0°
C4	C3	C2	C1	4.7°	0.6°
C3	C4	C5	C6	3.0°	0.0°
C3	C4	C5	H6	177.0°	180.0°
C4	C3	C2	H8	175.3°	179.9°
C2	C3	C4	C5	2.8°	0.3°
C3	C2	C1	H8	180.0°	179.4°
C3	C2	C1	C6	0.8°	0.6°
C3	C2	C1	S12	174.7°	179.8°
C2	C3	C4	H7	177.2°	179.7°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	C1	7.1°	0.1°
C4	C5	C6	CL7	173.5°	180.0°
C2	C1	C6	C5	5.1°	0.4°
C2	C1	C6	S12	175.4°	179.6°
C2	C1	C6	CL7	175.5°	179.7°
C2	C1	S12	N15	7.3°	114.7°
C2	C1	S12	O14	123.7°	1.1°
C2	C1	S12	O13	111.3°	131.8°
C5	C6	C1	CL7	179.4°	179.9°
C5	C6	C1	S12	179.5°	180.0°
C6	C5	C4	H7	177.0°	180.0°
C6	C1	S12	N15	177.5°	64.9°
C6	C1	S12	O14	61.1°	178.5°
C6	C1	S12	O13	64.0°	48.6°
C1	C6	C5	H6	172.9°	180.0°
C6	C1	C2	H8	179.2°	180.0°
S12	C1	C6	CL7	0.1°	0.1°
C1	S12	N15	O14	112.2°	113.6°
C1	S12	N15	O13	117.0°	113.5°
C1	S12	O14	O13	117.8°	122.9°
C1	S12	N15	H4	180.0°	0.0°
C1	S12	N15	H5	60.0°	180.0°
S12	C1	C2	H8	5.3°	0.4°
CL7	C6	C5	H6	6.5°	0.0°
N15	S12	O14	O13	126.2°	123.0°
S12	N15	H4	H5	120.0°	180.0°
O14	S12	N15	H4	67.8°	113.5°
O14	S12	N15	H5	52.2°	66.5°
O13	S12	N15	H4	63.0°	113.5°
O13	S12	N15	H5	177.0°	66.5°
H1	C10	H2	H3	119.9°	120.0°
H6	C5	C4	H7	3.0°	0.0°

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PDB entries from 2026-02-04

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