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Summary Geometry Related PDB entries

C0W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	C1	sing	1.76Å	1.77Å
O1	C	doub	1.22Å	1.20Å
C4	S1	sing	1.75Å	1.72Å	Aromatic
C4	C3	doub	1.34Å	1.37Å	Aromatic
S1	C5	sing	1.76Å	1.74Å	Aromatic
C1	C	sing	1.46Å	1.47Å
C1	C2	doub	1.36Å	1.36Å
C	O	sing	1.35Å	1.33Å
C3	C2	sing	1.46Å	1.46Å
C3	C10	sing	1.46Å	1.45Å	Aromatic
C5	C10	doub	1.39Å	1.41Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
C10	C9	sing	1.41Å	1.39Å	Aromatic
C6	C7	doub	1.37Å	1.38Å	Aromatic
C9	C8	doub	1.37Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
O	H6	sing	0.97Å	0.95Å
C2	H7	sing	1.08Å	1.08Å
S	H8	sing	1.35Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S	C1	C	116.7°	120.0°
S	C1	C2	120.0°	120.0°
C1	S	H8	102.0°	103.0°
O1	C	C1	120.5°	120.0°
O1	C	O	123.2°	120.0°
S1	C4	C3	113.7°	111.2°
C4	S1	C5	91.5°	92.5°
S1	C4	H1	123.1°	124.4°
C4	C3	C2	125.2°	122.9°
C4	C3	C10	111.7°	114.2°
C3	C4	H1	123.2°	124.4°
S1	C5	C10	111.5°	110.1°
S1	C5	C6	127.0°	130.2°
C	C1	C2	123.2°	120.0°
C1	C	O	116.3°	120.0°
C1	C2	C3	131.1°	120.0°
C1	C2	H7	114.5°	120.0°
C	O	H6	109.5°	114.0°
C2	C3	C10	123.1°	122.9°
C3	C2	H7	114.5°	120.0°
C3	C10	C5	111.7°	112.0°
C3	C10	C9	130.7°	129.1°
C10	C5	C6	121.5°	119.7°
C5	C10	C9	117.6°	119.0°
C5	C6	C7	119.3°	120.4°
C5	C6	H2	120.4°	119.8°
C10	C9	C8	120.9°	120.4°
C10	C9	H5	119.6°	119.8°
C6	C7	C8	120.3°	120.1°
C7	C6	H2	120.4°	119.9°
C6	C7	H3	119.8°	119.9°
C9	C8	C7	120.5°	120.4°
C9	C8	H4	119.8°	119.8°
C8	C9	H5	119.6°	119.8°
C8	C7	H3	119.8°	120.0°
C7	C8	H4	119.7°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S	C1	C	O1	9.6°	180.0°
S	C1	C	C2	176.8°	180.0°
S	C1	C	O	173.2°	0.1°
S	C1	C2	C3	1.7°	8.5°
S	C1	C2	H7	178.3°	171.5°
O1	C	C1	O	177.2°	179.9°
O1	C	C1	C2	167.2°	0.1°
O1	C	O	H6	0.0°	0.1°
S1	C4	C3	H1	180.0°	179.8°
S1	C4	C3	C2	177.1°	180.0°
S1	C4	C3	C10	0.0°	0.0°
C4	S1	C5	C10	0.7°	0.0°
C4	S1	C5	C6	177.9°	180.0°
C3	C4	S1	C5	0.4°	0.0°
C4	C3	C2	C1	42.0°	41.5°
C4	C3	C2	C10	176.8°	179.9°
C4	C3	C10	C5	0.6°	0.0°
C4	C3	C10	C9	175.7°	180.0°
C4	C3	C2	H7	138.0°	138.5°
S1	C5	C10	C3	0.9°	0.0°
S1	C5	C10	C6	177.4°	180.0°
S1	C5	C10	C9	175.9°	180.0°
S1	C5	C6	C7	175.2°	180.0°
C5	S1	C4	H1	179.6°	179.8°
S1	C5	C6	H2	4.8°	0.0°
C	C1	C2	C3	178.4°	171.5°
C1	C	O	H6	177.1°	180.0°
C	C1	C2	H7	1.6°	8.5°
C	C1	S	H8	4.2°	174.2°
C2	C1	C	O	10.0°	180.0°
C1	C2	C3	H7	180.0°	180.0°
C1	C2	C3	C10	134.8°	138.6°
C2	C1	S	H8	172.6°	5.9°
C2	C3	C10	C5	177.8°	180.0°
C2	C3	C10	C9	1.5°	0.1°
C2	C3	C4	H1	2.8°	0.2°
C3	C10	C5	C9	176.8°	179.9°
C3	C10	C5	C6	178.2°	180.0°
C3	C10	C9	C8	176.2°	180.0°
C10	C3	C4	H1	180.0°	179.8°
C3	C10	C9	H5	3.8°	0.0°
C10	C3	C2	H7	45.2°	41.4°
C10	C5	C6	C7	1.7°	0.0°
C5	C10	C9	C8	0.1°	0.0°
C10	C5	C6	H2	178.3°	180.0°
C5	C10	C9	H5	179.9°	179.9°
C6	C5	C10	C9	1.4°	0.0°
C5	C6	C7	H2	180.0°	180.0°
C5	C6	C7	C8	0.6°	0.0°
C5	C6	C7	H3	179.3°	180.0°
C10	C9	C8	H5	180.0°	180.0°
C10	C9	C8	C7	0.9°	0.0°
C10	C9	C8	H4	179.1°	180.0°
C6	C7	C8	C9	0.6°	0.0°
C6	C7	C8	H3	180.0°	180.0°
C6	C7	C8	H4	179.4°	180.0°
C9	C8	C7	H4	180.0°	180.0°
C9	C8	C7	H3	179.4°	180.0°
C8	C7	C6	H2	179.3°	180.0°
C7	C8	C9	H5	179.1°	180.0°
H2	C6	C7	H3	0.7°	0.0°
H3	C7	C8	H4	0.6°	0.0°
H4	C8	C9	H5	0.9°	0.0°

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PDB entries from 2024-07-17

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