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Summary Geometry Related PDB entries

EA1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N7	C8	doub	1.30Å	1.38Å	Aromatic
N7	C5	sing	1.35Å	1.34Å	Aromatic
C8	N9	sing	1.36Å	1.37Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C5	C4	doub	1.40Å	1.46Å	Aromatic
C5	C6	sing	1.46Å	1.39Å	Aromatic
C4	N3	sing	1.34Å	1.44Å	Aromatic
C4	N9	sing	1.37Å	1.32Å	Aromatic
N3	C2	doub	1.30Å	1.34Å	Aromatic
N9	HN9	sing	0.97Å	1.02Å
C6	N6	doub	1.32Å	1.35Å	Aromatic
C6	N1	sing	1.37Å	1.41Å	Aromatic
N6	C11	sing	1.34Å	1.47Å	Aromatic
C11	C10	doub	1.35Å	1.52Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
N1	C10	sing	1.37Å	1.36Å	Aromatic
N1	C2	sing	1.36Å	1.35Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C2	H2	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N7	C5	105.2°	109.4°
N7	C8	N9	114.1°	109.8°
N7	C8	H8	123.1°	125.1°
N7	C5	C4	106.6°	107.4°
N7	C5	C6	139.6°	134.8°
N9	C8	H8	122.9°	125.1°
C8	N9	C4	103.8°	107.5°
C8	N9	HN9	129.5°	126.3°
C4	C5	C6	113.8°	117.8°
C5	C4	N3	122.8°	119.7°
C5	C4	N9	110.4°	106.0°
C5	C6	N6	127.8°	134.1°
C5	C6	N1	121.1°	117.7°
N3	C4	N9	126.9°	134.3°
C4	N3	C2	118.4°	122.5°
C4	N9	HN9	126.7°	126.2°
N3	C2	N1	120.0°	122.5°
N3	C2	H2	119.8°	118.7°
N6	C6	N1	111.1°	108.2°
C6	N6	C11	109.2°	109.2°
C6	N1	C10	108.8°	106.7°
C6	N1	C2	123.9°	119.8°
N6	C11	C10	102.4°	108.6°
N6	C11	H11	127.5°	125.7°
C10	C11	H11	130.1°	125.7°
C11	C10	N1	108.5°	107.2°
C11	C10	H10	130.2°	126.4°
C10	N1	C2	127.3°	133.5°
N1	C10	H10	121.3°	126.4°
N1	C2	H2	120.2°	118.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	C8	N9	H8	180.0°	179.9°
C8	N7	C5	C4	0.1°	0.2°
C8	N7	C5	C6	179.8°	179.9°
N7	C8	N9	C4	0.1°	0.3°
N7	C8	N9	HN9	179.9°	180.0°
C5	N7	C8	N9	0.1°	0.0°
C5	N7	C8	H8	180.0°	179.9°
N7	C5	C4	C6	179.8°	179.7°
N7	C5	C4	N3	179.9°	180.0°
N7	C5	C4	N9	0.0°	0.4°
N7	C5	C6	N6	0.4°	0.7°
N7	C5	C6	N1	179.6°	179.9°
C8	N9	C4	C5	0.0°	0.4°
C8	N9	C4	N3	179.9°	179.9°
C8	N9	C4	HN9	179.9°	179.7°
H8	C8	N9	C4	180.0°	179.8°
H8	C8	N9	HN9	0.1°	0.1°
C5	C4	N3	N9	179.9°	179.5°
C5	C4	N3	C2	0.0°	0.0°
C5	C4	N9	HN9	179.9°	179.9°
C4	C5	C6	N6	179.9°	179.6°
C4	C5	C6	N1	0.7°	0.4°
C6	C5	C4	N3	0.3°	0.3°
C6	C5	C4	N9	179.8°	179.9°
C5	C6	N6	N1	179.2°	179.2°
C5	C6	N6	C11	179.7°	179.6°
C5	C6	N1	C10	179.8°	179.7°
C5	C6	N1	C2	0.9°	0.4°
N3	C4	N9	HN9	0.2°	0.3°
C4	N3	C2	N1	0.1°	0.0°
C4	N3	C2	H2	179.9°	180.0°
N9	C4	N3	C2	179.8°	179.5°
N3	C2	N1	C6	0.5°	0.2°
N3	C2	N1	C10	179.2°	179.9°
N3	C2	N1	H2	180.0°	179.9°
C6	N6	C11	C10	0.0°	0.2°
C6	N6	C11	H11	180.0°	179.8°
N6	C6	N1	C10	0.9°	0.3°
N6	C6	N1	C2	179.8°	179.8°
N1	C6	N6	C11	0.5°	0.4°
C6	N1	C10	C11	0.9°	0.2°
C6	N1	C10	C2	178.9°	179.9°
C6	N1	C10	H10	179.1°	179.7°
C6	N1	C2	H2	179.4°	179.8°
N6	C11	C10	H11	180.0°	180.0°
N6	C11	C10	N1	0.6°	0.0°
N6	C11	C10	H10	179.4°	180.0°
C11	C10	N1	H10	180.0°	179.9°
C11	C10	N1	C2	179.8°	179.9°
H11	C11	C10	N1	179.5°	180.0°
H11	C11	C10	H10	0.6°	0.1°
C10	N1	C2	H2	0.7°	0.1°
C2	N1	C10	H10	0.2°	0.1°

227111

PDB entries from 2024-11-06

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