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Summary Geometry Related PDB entries

MPV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.36Å	1.38Å	Aromatic
C1	C5	sing	1.41Å	1.37Å	Aromatic
C2	N3	sing	1.36Å	1.35Å	Aromatic
C2	N12	sing	1.39Å	1.36Å
N3	N4	sing	1.40Å	1.42Å	Aromatic
N3	C11	sing	1.47Å	1.48Å
N4	C5	doub	1.32Å	1.35Å	Aromatic
C5	C6	sing	1.48Å	1.46Å	Aromatic
C6	S7	sing	1.76Å	1.70Å	Aromatic
C6	C10	doub	1.35Å	1.39Å	Aromatic
S7	C8	sing	1.76Å	1.72Å	Aromatic
C8	C9	doub	1.34Å	1.40Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	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
N12	HN12	sing	0.97Å	1.00Å
N12	HN1A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C5	100.4°	107.8°
C1	C2	N3	112.3°	107.8°
C1	C2	N12	121.2°	126.1°
C2	C1	H1	129.8°	126.1°
C1	C5	N4	117.2°	108.1°
C1	C5	C6	121.2°	125.9°
C5	C1	H1	129.8°	126.1°
N3	C2	N12	126.4°	126.1°
C2	N3	N4	108.5°	108.1°
C2	N3	C11	137.0°	126.0°
C2	N12	HN12	109.5°	120.0°
C2	N12	HN1A	109.4°	120.0°
N4	N3	C11	114.5°	125.9°
N3	N4	C5	101.5°	108.3°
N3	C11	H11	109.5°	109.5°
N3	C11	H11A	109.5°	109.5°
N3	C11	H11B	109.5°	109.4°
N4	C5	C6	121.4°	126.0°
C5	C6	S7	121.7°	125.3°
C5	C6	C10	123.0°	125.2°
S7	C6	C10	115.0°	109.5°
C6	S7	C8	90.3°	91.0°
C6	C10	C9	109.3°	114.7°
C6	C10	H10	125.4°	122.6°
S7	C8	C9	110.7°	109.7°
S7	C8	H8	124.7°	125.2°
C8	C9	C10	114.5°	115.0°
C9	C8	H8	124.6°	125.1°
C8	C9	H9	122.8°	122.4°
C10	C9	H9	122.7°	122.5°
C9	C10	H10	125.3°	122.6°
H11	C11	H11A	109.4°	109.5°
H11	C11	H11B	109.5°	109.5°
H11A	C11	H11B	109.5°	109.5°
HN12	N12	HN1A	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C5	H1	180.0°	179.8°
C1	C2	N3	N12	178.8°	180.0°
C1	C2	N3	N4	0.9°	0.0°
C1	C2	N3	C11	179.7°	180.0°
C2	C1	C5	N4	1.3°	0.0°
C2	C1	C5	C6	176.4°	180.0°
C1	C2	N12	HN12	180.0°	0.0°
C1	C2	N12	HN1A	60.0°	180.0°
C5	C1	C2	N3	0.2°	0.0°
C5	C1	C2	N12	178.7°	179.9°
C1	C5	N4	N3	1.8°	0.0°
C1	C5	N4	C6	175.1°	179.9°
C1	C5	C6	S7	177.5°	0.1°
C1	C5	C6	C10	3.5°	179.7°
C2	N3	N4	C11	179.1°	180.0°
C2	N3	N4	C5	1.5°	0.0°
N3	C2	C1	H1	179.9°	179.8°
C2	N3	C11	H11	178.8°	90.0°
C2	N3	C11	H11A	61.2°	150.0°
C2	N3	C11	H11B	58.8°	30.0°
N3	C2	N12	HN12	1.3°	180.0°
N3	C2	N12	HN1A	118.7°	0.0°
N12	C2	N3	N4	179.7°	180.0°
N12	C2	N3	C11	1.5°	0.0°
N12	C2	C1	H1	1.3°	0.2°
C2	N12	HN12	HN1A	120.0°	180.0°
N3	N4	C5	C6	176.9°	179.9°
N4	N3	C11	H11	0.0°	90.0°
N4	N3	C11	H11A	120.0°	30.0°
N4	N3	C11	H11B	120.0°	149.9°
C11	N3	N4	C5	179.4°	180.0°
N3	C11	H11	H11A	120.0°	120.0°
N3	C11	H11	H11B	120.0°	120.0°
N3	C11	H11A	H11B	120.0°	120.0°
N4	C5	C6	S7	2.5°	180.0°
N4	C5	C6	C10	171.5°	0.4°
N4	C5	C1	H1	178.8°	179.8°
C5	C6	S7	C10	174.5°	179.7°
C5	C6	S7	C8	177.8°	179.9°
C5	C6	C10	C9	176.7°	179.9°
C6	C5	C1	H1	3.6°	0.1°
C5	C6	C10	H10	3.3°	0.1°
C6	S7	C8	C9	3.3°	0.0°
S7	C6	C10	C9	2.3°	0.4°
C6	S7	C8	H8	176.7°	180.0°
S7	C6	C10	H10	177.7°	179.8°
C10	C6	S7	C8	3.3°	0.2°
C6	C10	C9	C8	0.3°	0.5°
C6	C10	C9	H10	180.0°	179.8°
C6	C10	C9	H9	179.7°	179.8°
S7	C8	C9	H8	180.0°	180.0°
S7	C8	C9	C10	2.7°	0.3°
S7	C8	C9	H9	177.3°	180.0°
C8	C9	C10	H9	180.0°	179.7°
C8	C9	C10	H10	179.7°	179.7°
C10	C9	C8	H8	177.3°	179.8°
H8	C8	C9	H9	2.7°	0.1°
H9	C9	C10	H10	0.3°	0.0°
H11	C11	H11A	H11B	120.0°	120.0°

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