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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
C2	N1	sing	1.36Å	1.35Å	Aromatic
C5	N1	sing	1.37Å	1.34Å	Aromatic
N1	C6	sing	1.40Å	1.36Å	Aromatic
N3	C2	doub	1.31Å	1.36Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N3	C4	sing	1.34Å	1.37Å	Aromatic
C4	C5	doub	1.35Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	C11	doub	1.39Å	1.41Å	Aromatic
C6	C7	sing	1.39Å	1.41Å	Aromatic
C7	C8	doub	1.38Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C10	C9	doub	1.38Å	1.39Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C11	C10	sing	1.38Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C5	114.5°	107.1°
C2	N1	C6	123.5°	126.5°
N1	C2	N3	104.6°	108.6°
N1	C2	H2	127.7°	125.7°
C5	N1	C6	121.8°	126.5°
N1	C5	C4	103.1°	106.8°
N1	C5	H5	128.4°	126.6°
N1	C6	C11	124.6°	120.1°
N1	C6	C7	121.3°	120.0°
N3	C2	H2	127.7°	125.7°
C2	N3	C4	108.2°	109.3°
N3	C4	C5	109.5°	108.2°
N3	C4	H4	125.3°	125.9°
C5	C4	H4	125.3°	125.9°
C4	C5	H5	128.4°	126.6°
C11	C6	C7	114.0°	119.9°
C6	C11	C10	122.9°	119.9°
C6	C11	H11	118.6°	120.1°
C6	C7	C8	123.6°	119.9°
C6	C7	H7	118.2°	120.1°
C8	C7	H7	118.1°	120.0°
C7	C8	C9	120.5°	120.0°
C7	C8	H8	119.8°	120.0°
C9	C8	H8	119.7°	120.0°
C8	C9	C10	118.0°	120.1°
C8	C9	H9	121.0°	119.9°
C10	C9	H9	121.0°	119.9°
C9	C10	C11	120.9°	120.1°
C9	C10	H10	119.6°	120.0°
C11	C10	H10	119.5°	120.0°
C10	C11	H11	118.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C5	C6	175.9°	179.8°
N1	C2	N3	H2	180.0°	180.0°
N1	C2	N3	C4	0.9°	0.0°
C2	N1	C5	C4	1.3°	0.4°
C2	N1	C5	H5	178.8°	180.0°
C2	N1	C6	C11	127.8°	0.0°
C2	N1	C6	C7	55.0°	179.7°
C5	N1	C2	N3	1.4°	0.2°
C5	N1	C2	H2	178.6°	179.8°
N1	C5	C4	N3	0.6°	0.4°
N1	C5	C4	H5	180.0°	179.6°
N1	C5	C4	H4	179.4°	179.9°
C5	N1	C6	C11	56.6°	179.7°
C5	N1	C6	C7	120.6°	0.0°
C6	N1	C2	N3	177.3°	180.0°
C6	N1	C2	H2	2.8°	0.0°
C6	N1	C5	C4	177.2°	179.9°
C6	N1	C5	H5	2.8°	0.3°
N1	C6	C11	C7	177.4°	179.7°
N1	C6	C7	C8	178.8°	180.0°
N1	C6	C7	H7	1.2°	0.0°
N1	C6	C11	C10	178.1°	179.7°
N1	C6	C11	H11	1.9°	0.1°
C2	N3	C4	C5	0.2°	0.2°
C2	N3	C4	H4	179.8°	180.0°
H2	C2	N3	C4	179.1°	180.0°
N3	C4	C5	H4	180.0°	179.8°
N3	C4	C5	H5	179.4°	180.0°
H4	C4	C5	H5	0.6°	0.3°
C11	C6	C7	C8	1.3°	0.2°
C11	C6	C7	H7	178.7°	179.7°
C6	C11	C10	C9	0.3°	0.7°
C6	C11	C10	H11	180.0°	179.6°
C6	C11	C10	H10	179.6°	179.7°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.9°	0.1°
C6	C7	C8	H8	179.1°	180.0°
C7	C6	C11	C10	0.7°	0.6°
C7	C6	C11	H11	179.3°	179.8°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	0.3°	0.0°
C7	C8	C9	H9	179.7°	180.0°
H7	C7	C8	C9	179.1°	180.0°
H7	C7	C8	H8	0.9°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C11	0.9°	0.3°
C8	C9	C10	H10	179.1°	180.0°
H8	C8	C9	C10	179.7°	180.0°
H8	C8	C9	H9	0.3°	0.0°
C9	C10	C11	H10	180.0°	179.6°
C9	C10	C11	H11	179.6°	179.7°
H9	C9	C10	C11	179.1°	179.7°
H9	C9	C10	H10	0.9°	0.0°
H10	C10	C11	H11	0.4°	0.1°

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PDB entries from 2024-08-14

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