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Summary Geometry Related PDB entries

R8V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C6	C7	doub	1.39Å	1.40Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C7	C2	sing	1.40Å	1.38Å	Aromatic
C7	C8	sing	1.48Å	1.48Å
C2	C1	sing	1.51Å	1.53Å
O	C8	doub	1.22Å	1.21Å
C8	N	sing	1.34Å	1.40Å
C1	O1	sing	1.43Å	1.35Å
C1	N	sing	1.47Å	1.43Å
N	C	sing	1.47Å	1.46Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
O1	H8	sing	0.97Å	0.95Å
C3	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C5	C6	120.2°	120.3°
C5	C4	C3	120.5°	120.2°
C5	C4	H1	119.7°	119.9°
C4	C5	H2	119.9°	119.9°
C5	C6	C7	118.9°	119.8°
C6	C5	H2	119.9°	119.8°
C5	C6	H3	120.5°	120.1°
C4	C3	C2	119.2°	119.9°
C3	C4	H1	119.8°	119.9°
C4	C3	H9	120.4°	120.1°
C6	C7	C2	121.1°	119.4°
C6	C7	C8	129.6°	132.4°
C7	C6	H3	120.6°	120.1°
C3	C2	C7	119.9°	120.3°
C3	C2	C1	130.9°	133.3°
C2	C3	H9	120.4°	120.0°
C2	C7	C8	109.2°	108.2°
C7	C2	C1	109.1°	106.4°
C7	C8	O	128.2°	124.8°
C7	C8	N	105.9°	110.3°
C2	C1	O1	116.7°	110.1°
C2	C1	N	102.6°	106.3°
C2	C1	H7	106.7°	110.1°
O	C8	N	125.8°	124.9°
C8	N	C1	113.1°	108.8°
C8	N	C	124.7°	125.6°
O1	C1	N	113.5°	110.1°
O1	C1	H7	109.0°	110.1°
C1	O1	H8	109.5°	114.0°
C1	N	C	122.1°	125.6°
N	C1	H7	107.8°	110.2°
N	C	H4	109.5°	109.5°
N	C	H5	109.5°	109.5°
N	C	H6	109.5°	109.4°
H4	C	H5	109.5°	109.5°
H4	C	H6	109.4°	109.4°
H5	C	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C5	C6	H2	180.0°	179.9°
C5	C4	C3	H1	180.0°	179.7°
C4	C5	C6	C7	2.5°	0.0°
C5	C4	C3	C2	0.0°	0.0°
C4	C5	C6	H3	177.5°	179.9°
C5	C4	C3	H9	180.0°	179.7°
C6	C5	C4	C3	2.5°	0.0°
C5	C6	C7	H3	180.0°	179.9°
C5	C6	C7	C2	0.0°	0.0°
C5	C6	C7	C8	178.3°	180.0°
C6	C5	C4	H1	177.5°	179.7°
C4	C3	C2	H9	180.0°	179.8°
C4	C3	C2	C7	2.6°	0.0°
C4	C3	C2	C1	174.4°	180.0°
C3	C4	C5	H2	177.5°	179.9°
C6	C7	C2	C3	2.6°	0.0°
C6	C7	C2	C8	178.6°	180.0°
C6	C7	C2	C1	175.0°	180.0°
C6	C7	C8	O	7.0°	0.0°
C6	C7	C8	N	175.8°	180.0°
C7	C6	C5	H2	177.5°	179.9°
C3	C2	C7	C1	177.6°	180.0°
C3	C2	C7	C8	178.8°	180.0°
C3	C2	C1	O1	54.9°	60.8°
C3	C2	C1	N	179.6°	180.0°
C2	C3	C4	H1	180.0°	179.7°
C3	C2	C1	H7	67.2°	60.7°
C2	C7	C8	O	174.6°	180.0°
C2	C7	C8	N	2.6°	0.0°
C7	C2	C1	O1	127.9°	119.2°
C7	C2	C1	N	3.1°	0.0°
C2	C7	C6	H3	180.0°	180.0°
C7	C2	C1	H7	110.0°	119.3°
C7	C2	C3	H9	177.4°	179.8°
C8	C7	C2	C1	3.6°	0.0°
C7	C8	O	N	176.7°	180.0°
C7	C8	N	C1	0.6°	0.0°
C7	C8	N	C	177.1°	180.0°
C8	C7	C6	H3	1.7°	0.1°
C2	C1	N	C8	1.5°	0.0°
C2	C1	O1	N	119.0°	116.8°
C2	C1	O1	H7	120.9°	121.5°
C2	C1	N	H7	112.3°	119.2°
C2	C1	N	C	175.1°	180.0°
C2	C1	O1	H8	180.0°	180.0°
C1	C2	C3	H9	5.6°	0.3°
O	C8	N	C1	176.7°	180.0°
O	C8	N	C	0.2°	0.0°
C8	N	C1	O1	128.3°	119.2°
C8	N	C1	C	176.6°	180.0°
C8	N	C	H4	180.0°	0.1°
C8	N	C	H5	60.0°	119.9°
C8	N	C	H6	60.0°	120.0°
C8	N	C1	H7	110.8°	119.2°
O1	C1	N	H7	120.8°	121.6°
O1	C1	N	C	48.3°	60.8°
C1	N	C	H4	3.8°	180.0°
C1	N	C	H5	123.8°	60.0°
C1	N	C	H6	116.2°	60.0°
N	C1	O1	H8	61.0°	63.1°
N	C	H4	H5	120.0°	120.0°
N	C	H4	H6	120.0°	120.0°
N	C	H5	H6	120.0°	120.0°
C	N	C1	H7	72.6°	60.8°
H1	C4	C5	H2	2.5°	0.4°
H1	C4	C3	H9	0.0°	0.0°
H2	C5	C6	H3	2.5°	0.0°
H4	C	H5	H6	119.9°	120.0°
H7	C1	O1	H8	59.1°	58.5°

223166

PDB entries from 2024-07-31

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