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Summary Geometry Related PDB entries

42C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.49Å	Aromatic
C1	N10	sing	1.39Å	1.40Å
C1	N6	sing	1.33Å	1.36Å	Aromatic
C2	C3	sing	1.41Å	1.46Å	Aromatic
C2	N7	sing	1.38Å	1.33Å	Aromatic
C3	N4	doub	1.34Å	1.36Å	Aromatic
C3	N9	sing	1.35Å	1.34Å	Aromatic
C5	N6	doub	1.32Å	1.36Å	Aromatic
C5	N4	sing	1.32Å	1.36Å	Aromatic
C8	N9	doub	1.30Å	1.35Å	Aromatic
C8	N7	sing	1.35Å	1.37Å	Aromatic
C11	N10	sing	1.47Å	1.46Å
C12	N10	sing	1.47Å	1.46Å
C5	H5	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C11	H11B	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å
N7	HN7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N10	121.4°	120.7°
C2	C1	N6	116.8°	118.5°
C1	C2	C3	116.7°	118.6°
C1	C2	N7	137.4°	135.3°
N10	C1	N6	121.8°	120.7°
C1	N10	C11	119.2°	111.0°
C1	N10	C12	119.1°	111.0°
C1	N6	C5	122.3°	121.1°
C3	C2	N7	105.8°	106.1°
C2	C3	N4	121.8°	118.7°
C2	C3	N9	108.4°	106.8°
C2	N7	C8	107.8°	107.2°
C2	N7	HN7	126.1°	126.4°
N4	C3	N9	129.8°	134.5°
C3	N4	C5	117.8°	120.5°
C3	N9	C8	106.2°	109.8°
N6	C5	N4	124.5°	122.6°
N6	C5	H5	117.7°	118.7°
N4	C5	H5	117.7°	118.7°
N9	C8	N7	111.8°	110.2°
N9	C8	H8	124.1°	124.9°
N7	C8	H8	124.1°	124.9°
C8	N7	HN7	126.1°	126.4°
C11	N10	C12	121.7°	111.0°
N10	C11	H11	109.5°	109.5°
N10	C11	H11A	109.4°	109.5°
N10	C11	H11B	109.5°	109.5°
N10	C12	H12	109.5°	109.5°
N10	C12	H12A	109.5°	109.5°
N10	C12	H12B	109.5°	109.5°
H11	C11	H11A	109.5°	109.4°
H11	C11	H11B	109.4°	109.5°
H11A	C11	H11B	109.5°	109.5°
H12	C12	H12A	109.5°	109.5°
H12	C12	H12B	109.4°	109.5°
H12A	C12	H12B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N10	N6	178.6°	179.8°
C1	C2	C3	N7	179.0°	180.0°
C1	C2	C3	N4	0.0°	0.0°
C1	C2	C3	N9	179.5°	179.9°
C2	C1	N6	C5	0.9°	0.0°
C1	C2	N7	C8	179.5°	179.9°
C2	C1	N10	C11	164.6°	180.0°
C2	C1	N10	C12	15.8°	56.0°
C1	C2	N7	HN7	0.6°	0.0°
N10	C1	C2	C3	179.4°	179.9°
N10	C1	C2	N7	0.9°	0.1°
N10	C1	N6	C5	179.5°	179.8°
C1	N10	C11	C12	179.5°	124.0°
C1	N10	C11	H11	175.8°	60.1°
C1	N10	C11	H11A	64.2°	180.0°
C1	N10	C11	H11B	55.9°	60.0°
C1	N10	C12	H12	98.3°	60.0°
C1	N10	C12	H12A	21.7°	180.0°
C1	N10	C12	H12B	141.8°	60.1°
N6	C1	C2	C3	0.8°	0.3°
N6	C1	C2	N7	177.7°	179.7°
C1	N6	C5	N4	0.2°	0.6°
N6	C1	N10	C11	16.8°	0.2°
N6	C1	N10	C12	162.8°	124.2°
C1	N6	C5	H5	179.8°	179.9°
C2	C3	N4	N9	179.4°	179.9°
C2	C3	N4	C5	0.7°	0.6°
C2	C3	N9	C8	0.0°	0.0°
C3	C2	N7	C8	0.8°	0.1°
C3	C2	N7	HN7	179.2°	180.0°
N7	C2	C3	N4	178.9°	180.0°
N7	C2	C3	N9	0.5°	0.1°
C2	N7	C8	N9	0.9°	0.0°
C2	N7	C8	HN7	180.0°	179.9°
C2	N7	C8	H8	179.1°	180.0°
C3	N4	C5	N6	0.6°	0.9°
N4	C3	N9	C8	179.4°	179.9°
C3	N4	C5	H5	179.4°	179.8°
N9	C3	N4	C5	178.7°	179.3°
C3	N9	C8	N7	0.5°	0.0°
C3	N9	C8	H8	179.5°	180.0°
N6	C5	N4	H5	180.0°	179.3°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	HN7	179.2°	180.0°
N10	C11	H11	H11A	120.0°	120.0°
N10	C11	H11	H11B	120.0°	120.0°
N10	C11	H11A	H11B	120.0°	120.1°
C11	N10	C12	H12	81.3°	176.0°
C11	N10	C12	H12A	158.7°	56.0°
C11	N10	C12	H12B	38.7°	64.0°
C12	N10	C11	H11	3.7°	64.0°
C12	N10	C11	H11A	116.3°	56.0°
C12	N10	C11	H11B	123.7°	176.0°
N10	C12	H12	H12A	120.0°	120.0°
N10	C12	H12	H12B	120.0°	120.0°
N10	C12	H12A	H12B	120.0°	120.0°
H8	C8	N7	HN7	0.9°	0.1°
H11	C11	H11A	H11B	120.0°	120.0°
H12	C12	H12A	H12B	120.0°	120.0°

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PDB entries from 2026-04-01

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