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Summary Geometry Related PDB entries

RW1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N3	doub	1.32Å	1.32Å	Aromatic
C2	N1	sing	1.32Å	1.32Å	Aromatic
N3	C4	sing	1.32Å	1.32Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
N1	C6	doub	1.33Å	1.34Å	Aromatic
C6	C7	sing	1.48Å	1.39Å	Aromatic
C7	C8	doub	1.39Å	1.39Å	Aromatic
C7	C12	sing	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C10	C9	doub	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C2	N1	121.7°	121.9°
C2	N3	C4	120.9°	121.0°
N3	C2	H2	119.2°	119.0°
C2	N1	C6	120.4°	120.7°
N1	C2	H2	119.2°	119.0°
N3	C4	C5	119.8°	119.2°
N3	C4	H4	120.1°	120.3°
C4	C5	C6	117.8°	118.3°
C5	C4	H4	120.1°	120.4°
C4	C5	H5	121.1°	120.8°
C5	C6	N1	119.4°	118.9°
C5	C6	C7	119.3°	120.5°
C6	C5	H5	121.1°	120.9°
N1	C6	C7	121.2°	120.6°
C6	C7	C8	119.8°	120.1°
C6	C7	C12	119.6°	120.1°
C8	C7	C12	120.5°	119.8°
C7	C8	C9	119.7°	119.8°
C7	C8	H8	120.2°	120.1°
C7	C12	C11	119.9°	119.8°
C7	C12	H12	120.1°	120.1°
C8	C9	C10	119.8°	120.1°
C9	C8	H8	120.2°	120.1°
C8	C9	H9	120.1°	119.9°
C12	C11	C10	119.6°	120.1°
C11	C12	H12	120.1°	120.1°
C12	C11	H11	120.2°	119.9°
C11	C10	C9	120.5°	120.3°
C10	C11	H11	120.2°	119.9°
C11	C10	H10	119.8°	119.9°
C9	C10	H10	119.7°	119.8°
C10	C9	H9	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C2	N1	H2	180.0°	179.7°
C2	N3	C4	C5	0.6°	0.0°
N3	C2	N1	C6	0.1°	0.0°
C2	N3	C4	H4	179.4°	180.0°
N1	C2	N3	C4	0.2°	0.0°
C2	N1	C6	C5	0.1°	0.0°
C2	N1	C6	C7	177.8°	180.0°
N3	C4	C5	H4	180.0°	180.0°
N3	C4	C5	C6	0.6°	0.0°
C4	N3	C2	H2	179.7°	179.7°
N3	C4	C5	H5	179.4°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	N1	0.2°	0.0°
C4	C5	C6	C7	177.5°	180.0°
C5	C6	N1	C7	177.7°	180.0°
C5	C6	C7	C8	152.3°	180.0°
C5	C6	C7	C12	29.0°	0.3°
C6	C5	C4	H4	179.4°	180.0°
N1	C6	C7	C8	25.4°	0.0°
N1	C6	C7	C12	153.3°	179.7°
C6	N1	C2	H2	179.9°	179.7°
N1	C6	C5	H5	179.8°	180.0°
C6	C7	C8	C12	178.7°	179.6°
C6	C7	C8	C9	178.8°	180.0°
C6	C7	C12	C11	178.6°	180.0°
C7	C6	C5	H5	2.5°	0.0°
C6	C7	C8	H8	1.2°	0.1°
C6	C7	C12	H12	1.5°	0.0°
C7	C8	C9	H8	180.0°	179.9°
C8	C7	C12	C11	0.1°	0.4°
C7	C8	C9	C10	0.3°	0.1°
C8	C7	C12	H12	179.8°	179.7°
C7	C8	C9	H9	179.7°	180.0°
C12	C7	C8	C9	0.1°	0.4°
C7	C12	C11	H12	180.0°	180.0°
C7	C12	C11	C10	0.1°	0.1°
C12	C7	C8	H8	179.9°	179.7°
C7	C12	C11	H11	179.8°	179.9°
C8	C9	C10	C11	0.3°	0.2°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	H10	179.7°	180.0°
C12	C11	C10	H11	180.0°	180.0°
C12	C11	C10	C9	0.0°	0.2°
C12	C11	C10	H10	179.9°	180.0°
C11	C10	C9	H10	180.0°	179.8°
C10	C11	C12	H12	179.8°	179.9°
C11	C10	C9	H9	179.7°	179.7°
C10	C9	C8	H8	179.7°	180.0°
C9	C10	C11	H11	180.0°	179.8°
H4	C4	C5	H5	0.6°	0.0°
H8	C8	C9	H9	0.3°	0.0°
H12	C12	C11	H11	0.2°	0.0°
H11	C11	C10	H10	0.0°	0.0°
H10	C10	C9	H9	0.3°	0.0°

222415

PDB entries from 2024-07-10

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