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Summary Geometry Related PDB entries

Obsolete: T0M

T0M was replaced with EMT on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
HG3	C2	sing	2.10Å	2.35Å
HG3	S	sing	2.35Å	50.10Å
C2	C1	sing	1.53Å	1.50Å
C2	H21C	sing	1.09Å	1.10Å
C2	H22C	sing	1.09Å	1.10Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C1	H13C	sing	1.09Å	1.10Å
C3	C4	sing	1.41Å	0.00Å	Aromatic
C4	C5	doub	1.40Å	0.00Å	Aromatic
C5	C6	sing	1.38Å	0.00Å	Aromatic
C6	C7	doub	1.39Å	0.00Å	Aromatic
C7	C8	sing	1.38Å	0.00Å	Aromatic
C8	C3	doub	1.39Å	0.00Å	Aromatic
S	C3	sing	1.76Å	0.00Å
C4	C9	sing	1.47Å	0.00Å
C9	O1	doub	1.22Å	0.00Å
C9	O2	sing	1.35Å	0.00Å
H	O2	sing	0.97Å	0.00Å
C5	H1	sing	1.08Å	0.00Å
C6	H2	sing	1.08Å	0.00Å
C7	H3	sing	1.08Å	0.00Å
C8	H4	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	HG3	S	124.9°	180.0°
HG3	C2	C1	105.4°	109.5°
HG3	C2	H21C	110.5°	109.5°
HG3	C2	H22C	110.5°	109.5°
HG3	S	C3	90.0°	100.0°
C1	C2	H21C	110.5°	109.5°
C1	C2	H22C	110.5°	109.4°
C2	C1	H11C	109.5°	109.4°
C2	C1	H12C	109.5°	109.5°
C2	C1	H13C	109.5°	109.5°
H21C	C2	H22C	109.5°	109.4°
H11C	C1	H12C	109.5°	109.4°
H11C	C1	H13C	109.5°	109.4°
H12C	C1	H13C	109.5°	109.5°
C3	C4	C5	90.0°	119.6°
C4	C3	C8	90.0°	119.6°
C4	C3	S	90.0°	120.2°
C3	C4	C9	90.0°	120.2°
C4	C5	C6	90.0°	119.9°
C5	C4	C9	90.0°	120.2°
C4	C5	H1	90.0°	120.0°
C5	C6	C7	90.0°	120.4°
C6	C5	H1	90.0°	120.1°
C5	C6	H2	90.0°	119.8°
C6	C7	C8	90.0°	120.5°
C7	C6	H2	90.0°	119.8°
C6	C7	H3	90.0°	119.8°
C7	C8	C3	90.0°	120.0°
C8	C7	H3	90.0°	119.7°
C7	C8	H4	90.0°	120.0°
C8	C3	S	90.0°	120.2°
C3	C8	H4	90.0°	120.0°
C4	C9	O1	90.0°	120.0°
C4	C9	O2	90.0°	120.0°
O1	C9	O2	90.0°	120.0°
C9	O2	H	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
HG3	C2	C1	H21C	119.4°	120.1°
HG3	C2	C1	H22C	119.4°	120.0°
HG3	C2	H21C	H22C	121.9°	120.0°
HG3	C2	C1	H11C	180.0°	60.0°
HG3	C2	C1	H12C	60.0°	180.0°
HG3	C2	C1	H13C	60.0°	59.9°
C2	HG3	S	C3	90.0°	127.6°
S	HG3	C2	C1	12.8°	52.5°
S	HG3	C2	H21C	106.5°	67.6°
S	HG3	C2	H22C	132.2°	172.4°
HG3	S	C3	C4	90.0°	90.0°
HG3	S	C3	C8	90.0°	90.3°
C1	C2	H21C	H22C	121.9°	120.0°
C2	C1	H11C	H12C	120.0°	120.0°
C2	C1	H11C	H13C	120.0°	120.0°
C2	C1	H12C	H13C	120.0°	120.1°
H21C	C2	C1	H11C	60.7°	60.0°
H21C	C2	C1	H12C	179.4°	59.9°
H21C	C2	C1	H13C	59.4°	180.0°
H22C	C2	C1	H11C	60.6°	180.0°
H22C	C2	C1	H12C	59.4°	60.0°
H22C	C2	C1	H13C	179.4°	60.0°
H11C	C1	H12C	H13C	120.0°	120.0°
C3	C4	C5	C9	90.0°	180.0°
C3	C4	C5	C6	90.0°	0.0°
C4	C3	C8	C7	90.0°	0.5°
C4	C3	C8	S	90.0°	179.7°
C3	C4	C9	O1	90.0°	0.0°
C3	C4	C9	O2	90.0°	180.0°
C3	C4	C5	H1	90.0°	180.0°
C4	C3	C8	H4	90.0°	180.0°
C4	C5	C6	H1	90.0°	180.0°
C4	C5	C6	C7	90.0°	0.0°
C5	C4	C3	C8	90.0°	0.3°
C5	C4	C3	S	90.0°	180.0°
C5	C4	C9	O1	90.0°	180.0°
C5	C4	C9	O2	90.0°	0.0°
C4	C5	C6	H2	90.0°	180.0°
C5	C6	C7	H2	90.0°	180.0°
C5	C6	C7	C8	90.0°	0.2°
C6	C5	C4	C9	90.0°	180.0°
C5	C6	C7	H3	90.0°	180.0°
C6	C7	C8	H3	90.0°	179.8°
C6	C7	C8	C3	90.0°	0.5°
C7	C6	C5	H1	90.0°	180.0°
C6	C7	C8	H4	90.0°	180.0°
C7	C8	C3	H4	90.0°	179.5°
C7	C8	C3	S	90.0°	179.7°
C8	C7	C6	H2	90.0°	179.8°
C8	C3	C4	C9	90.0°	179.8°
C3	C8	C7	H3	90.0°	179.7°
S	C3	C4	C9	90.0°	0.0°
S	C3	C8	H4	90.0°	0.3°
C4	C9	O1	O2	90.0°	180.0°
C4	C9	O2	H	90.0°	180.0°
C9	C4	C5	H1	90.0°	0.0°
O1	C9	O2	H	90.0°	0.0°
H1	C5	C6	H2	90.0°	0.0°
H2	C6	C7	H3	90.0°	0.1°
H3	C7	C8	H4	90.0°	0.2°

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PDB entries from 2024-09-04

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