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Summary Geometry Related PDB entries

1BN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.35Å	1.35Å	Aromatic
C1	N1	sing	1.37Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	N2	sing	1.34Å	1.37Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N1	C3	sing	1.35Å	1.32Å	Aromatic
N1	C4	sing	1.46Å	1.46Å
C3	N2	doub	1.30Å	1.33Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.51Å	1.49Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	C7	sing	1.38Å	1.39Å	Aromatic
C6	C8	sing	1.38Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C9	doub	1.38Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C10	doub	1.38Å	1.38Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	sing	1.38Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	H10	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N1	106.4°	106.8°
C2	C1	H1	126.2°	126.6°
C1	C2	N2	107.3°	108.0°
C1	C2	H2	125.9°	126.0°
N1	C1	H1	127.4°	126.6°
C1	N1	C3	109.2°	107.2°
C1	N1	C4	124.1°	126.4°
N2	C2	H2	126.8°	126.0°
C2	N2	C3	108.8°	109.3°
C3	N1	C4	125.3°	126.5°
N1	C3	N2	108.4°	108.7°
N1	C3	H3	125.6°	125.6°
N1	C4	C5	116.3°	109.4°
N1	C4	H41	109.8°	109.4°
N1	C4	H42	109.7°	109.5°
N2	C3	H3	126.0°	125.7°
C5	C4	H41	109.7°	109.4°
C5	C4	H42	109.7°	109.5°
C4	C5	C6	120.8°	120.0°
C4	C5	C7	120.2°	120.0°
H41	C4	H42	100.4°	109.5°
C6	C5	C7	118.9°	120.0°
C5	C6	C8	120.9°	120.0°
C5	C6	H6	119.2°	120.0°
C5	C7	C9	120.7°	120.1°
C5	C7	H7	119.3°	120.0°
C8	C6	H6	119.9°	120.0°
C6	C8	C10	119.8°	120.0°
C6	C8	H8	120.9°	120.0°
C9	C7	H7	120.0°	120.0°
C7	C9	C10	119.8°	120.0°
C7	C9	H9	120.0°	120.1°
C10	C8	H8	119.3°	120.0°
C8	C10	C9	119.9°	120.0°
C8	C10	H10	119.3°	120.0°
C10	C9	H9	120.2°	119.9°
C9	C10	H10	120.8°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N1	H1	180.0°	179.9°
C1	C2	N2	H2	180.0°	180.0°
C2	C1	N1	C3	0.4°	0.3°
C2	C1	N1	C4	167.4°	180.0°
C1	C2	N2	C3	0.3°	0.3°
N1	C1	C2	N2	0.4°	0.0°
N1	C1	C2	H2	179.5°	179.9°
C1	N1	C3	C4	166.8°	179.7°
C1	N1	C3	N2	0.2°	0.5°
C1	N1	C3	H3	179.8°	179.9°
C1	N1	C4	C5	132.7°	90.1°
C1	N1	C4	H41	102.1°	150.0°
C1	N1	C4	H42	7.4°	29.9°
H1	C1	C2	N2	179.6°	179.9°
H1	C1	C2	H2	0.5°	0.1°
H1	C1	N1	C3	179.6°	179.8°
H1	C1	N1	C4	12.6°	0.2°
C2	N2	C3	N1	0.1°	0.5°
C2	N2	C3	H3	179.9°	180.0°
H2	C2	N2	C3	179.6°	179.8°
N1	C3	N2	H3	180.0°	179.6°
C3	N1	C4	C5	62.4°	90.3°
C3	N1	C4	H41	62.9°	29.6°
C3	N1	C4	H42	172.4°	149.7°
C4	N1	C3	N2	167.0°	179.9°
C4	N1	C3	H3	13.0°	0.3°
N1	C4	C5	H41	125.3°	119.9°
N1	C4	C5	H42	125.2°	120.0°
N1	C4	H41	H42	115.5°	120.0°
N1	C4	C5	C6	36.6°	90.0°
N1	C4	C5	C7	139.6°	90.3°
C5	C4	H41	H42	115.5°	120.0°
C4	C5	C6	C7	176.2°	179.7°
C4	C5	C6	C8	175.6°	180.0°
C4	C5	C6	H6	4.4°	0.1°
C4	C5	C7	C9	175.6°	179.8°
C4	C5	C7	H7	4.5°	0.2°
H41	C4	C5	C6	161.9°	29.9°
H41	C4	C5	C7	14.3°	149.8°
H42	C4	C5	C6	88.6°	150.0°
H42	C4	C5	C7	95.2°	29.7°
C5	C6	C8	H6	180.0°	180.0°
C6	C5	C7	C9	0.7°	0.5°
C6	C5	C7	H7	179.3°	180.0°
C5	C6	C8	C10	0.1°	0.0°
C5	C6	C8	H8	180.0°	179.9°
C7	C5	C6	C8	0.6°	0.3°
C7	C5	C6	H6	179.4°	179.8°
C5	C7	C9	H7	179.9°	179.6°
C5	C7	C9	C10	0.3°	0.4°
C5	C7	C9	H9	179.8°	179.7°
C6	C8	C10	H8	179.9°	179.9°
C6	C8	C10	C9	0.3°	0.1°
C6	C8	C10	H10	179.8°	180.0°
H6	C6	C8	C10	179.8°	180.0°
H6	C6	C8	H8	0.1°	0.0°
C7	C9	C10	C8	0.2°	0.1°
C7	C9	C10	H9	180.0°	179.9°
C7	C9	C10	H10	179.8°	179.8°
H7	C7	C9	C10	179.7°	180.0°
H7	C7	C9	H9	0.3°	0.1°
C8	C10	C9	H10	179.9°	180.0°
C8	C10	C9	H9	179.8°	180.0°
H8	C8	C10	C9	179.6°	180.0°
H8	C8	C10	H10	0.3°	0.0°
H9	C9	C10	H10	0.2°	0.1°

246704

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