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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.33Å	1.37Å	Aromatic
N1	C3	sing	1.33Å	1.39Å	Aromatic
C2	N4	sing	1.33Å	1.35Å	Aromatic
N4	N5	doub	1.29Å	1.37Å	Aromatic
C3	C6	doub	1.40Å	1.38Å	Aromatic
N5	C6	sing	1.32Å	1.35Å	Aromatic
C2	C7	sing	1.48Å	1.42Å
C3	O8	sing	1.35Å	1.24Å
C6	C9	sing	1.51Å	1.50Å
C7	C10	doub	1.39Å	1.38Å	Aromatic
C7	C11	sing	1.39Å	1.43Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C10	C13	sing	1.38Å	1.39Å	Aromatic
C12	C14	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
C10	H19	sing	1.08Å	1.08Å
C11	H20	sing	1.08Å	1.08Å
C13	H22	sing	1.08Å	1.08Å
O8	H15	sing	0.97Å	0.95Å
C9	H16	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C12	H21	sing	1.08Å	1.08Å
C14	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C3	117.5°	119.4°
N1	C2	N4	123.7°	120.8°
N1	C2	C7	117.4°	119.6°
N1	C3	C6	119.3°	118.6°
N1	C3	O8	114.4°	120.7°
C2	N4	N5	117.6°	121.4°
N4	C2	C7	118.9°	119.6°
N4	N5	C6	121.0°	120.6°
C3	C6	N5	119.7°	119.2°
C6	C3	O8	124.7°	120.7°
C3	C6	C9	121.8°	120.4°
N5	C6	C9	117.2°	120.4°
C2	C7	C10	121.9°	120.1°
C2	C7	C11	120.8°	120.1°
C3	O8	H15	109.5°	114.0°
C6	C9	H16	109.5°	109.5°
C6	C9	H18	109.5°	109.5°
C6	C9	H17	109.5°	109.5°
C10	C7	C11	117.3°	119.7°
C7	C10	C13	120.2°	119.9°
C7	C10	H19	119.9°	120.0°
C7	C11	C12	123.6°	119.9°
C7	C11	H20	118.2°	120.1°
C11	C12	C14	116.4°	120.1°
C12	C11	H20	118.2°	120.0°
C11	C12	H21	121.8°	120.0°
C10	C13	C14	120.8°	120.1°
C13	C10	H19	119.9°	120.1°
C10	C13	H22	119.6°	119.9°
C12	C14	C13	121.7°	120.2°
C14	C12	H21	121.8°	119.9°
C12	C14	H23	119.2°	119.9°
C14	C13	H22	119.6°	120.0°
C13	C14	H23	119.2°	119.9°
H16	C9	H18	109.5°	109.4°
H16	C9	H17	109.4°	109.5°
H18	C9	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N4	C7	178.1°	180.0°
N1	C2	N4	N5	2.7°	0.0°
C2	N1	C3	C6	3.5°	0.0°
C2	N1	C3	O8	169.8°	180.0°
N1	C2	C7	C10	142.6°	180.0°
N1	C2	C7	C11	37.9°	0.0°
C3	N1	C2	N4	0.1°	0.0°
N1	C3	C6	O8	164.7°	180.0°
N1	C3	C6	N5	10.1°	0.0°
C3	N1	C2	C7	178.3°	180.0°
N1	C3	C6	C9	177.2°	180.0°
N1	C3	O8	H15	0.0°	90.1°
C2	N4	N5	C6	9.4°	0.0°
N4	C2	C7	C10	39.2°	0.0°
N4	C2	C7	C11	140.3°	180.0°
N4	N5	C6	C3	13.2°	0.0°
N5	N4	C2	C7	175.4°	180.0°
N4	N5	C6	C9	179.1°	179.9°
C3	C6	N5	C9	167.6°	179.9°
C6	C3	O8	H15	165.4°	89.9°
C3	C6	C9	H16	167.4°	90.0°
C3	C6	C9	H18	47.4°	150.0°
C3	C6	C9	H17	72.7°	30.0°
N5	C6	C3	O8	174.9°	180.0°
N5	C6	C9	H16	0.0°	90.0°
N5	C6	C9	H18	120.0°	29.9°
N5	C6	C9	H17	120.0°	150.0°
C2	C7	C10	C11	179.5°	180.0°
C2	C7	C11	C12	179.5°	179.4°
C2	C7	C10	C13	179.5°	180.0°
C2	C7	C10	H19	0.5°	0.2°
C2	C7	C11	H20	0.6°	0.3°
O8	C3	C6	C9	18.1°	0.1°
C6	C9	H16	H18	120.0°	120.0°
C6	C9	H16	H17	120.0°	120.0°
C6	C9	H18	H17	120.0°	120.0°
C10	C7	C11	C12	1.0°	0.6°
C7	C10	C13	H19	180.0°	179.8°
C7	C10	C13	C14	0.4°	0.3°
C10	C7	C11	H20	178.9°	179.7°
C7	C10	C13	H22	179.6°	179.7°
C7	C11	C12	H20	180.0°	179.1°
C11	C7	C10	C13	1.0°	0.0°
C7	C11	C12	C14	0.4°	0.9°
C11	C7	C10	H19	179.0°	179.8°
C7	C11	C12	H21	179.6°	179.2°
C11	C12	C14	H21	180.0°	179.9°
C11	C12	C14	C13	0.2°	0.6°
C11	C12	C14	H23	179.8°	179.4°
C10	C13	C14	C12	0.2°	0.0°
C10	C13	C14	H22	180.0°	180.0°
C10	C13	C14	H23	179.8°	180.0°
C12	C14	C13	H23	180.0°	180.0°
C14	C12	C11	H20	179.6°	180.0°
C12	C14	C13	H22	179.8°	180.0°
C14	C13	C10	H19	179.5°	179.9°
C13	C14	C12	H21	179.8°	179.5°
H19	C10	C13	H22	0.4°	0.0°
H20	C11	C12	H21	0.4°	0.1°
H22	C13	C14	H23	0.2°	0.0°
H16	C9	H18	H17	120.0°	119.9°
H21	C12	C14	H23	0.2°	0.5°

223532

PDB entries from 2024-08-07

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