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Summary Geometry Related PDB entries

0BP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C5	doub	1.38Å	1.40Å	Aromatic
C6	N1	sing	1.32Å	1.40Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
N1	C2	doub	1.33Å	1.37Å	Aromatic
N8	C9	doub	1.32Å	1.37Å	Aromatic
N8	C7	sing	1.33Å	1.37Å	Aromatic
C2	C7	sing	1.48Å	1.50Å
C2	C3	sing	1.39Å	1.42Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.40Å	Aromatic
C7	C12	doub	1.39Å	1.41Å	Aromatic
C10	C11	doub	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.40Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C6	N1	121.4°	120.9°
C6	C5	C4	119.4°	119.4°
C6	C5	H7	120.3°	120.3°
C5	C6	H8	119.3°	119.6°
C6	N1	C2	118.6°	121.6°
N1	C6	H8	119.3°	119.5°
C5	C4	C3	120.0°	118.5°
C5	C4	H2	120.0°	120.7°
C4	C5	H7	120.3°	120.4°
N1	C2	C7	115.8°	119.7°
N1	C2	C3	120.7°	120.5°
C9	N8	C7	121.8°	121.6°
N8	C9	C10	118.7°	120.9°
N8	C9	H6	120.6°	119.5°
N8	C7	C2	116.0°	119.7°
N8	C7	C12	120.3°	120.5°
C7	C2	C3	123.4°	119.8°
C2	C7	C12	123.6°	119.7°
C2	C3	C4	119.8°	119.1°
C2	C3	H1	120.1°	120.5°
C4	C3	H1	120.1°	120.5°
C3	C4	H2	120.0°	120.7°
C9	C10	C11	121.0°	119.4°
C9	C10	H5	119.5°	120.3°
C10	C9	H6	120.6°	119.6°
C7	C12	C11	118.6°	119.1°
C7	C12	H3	120.7°	120.5°
C10	C11	C12	119.6°	118.5°
C10	C11	H4	120.2°	120.7°
C11	C10	H5	119.5°	120.4°
C11	C12	H3	120.7°	120.5°
C12	C11	H4	120.2°	120.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C6	N1	H8	180.0°	180.0°
C6	C5	C4	H7	180.0°	180.0°
C5	C6	N1	C2	3.4°	0.0°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	H2	179.8°	180.0°
N1	C6	C5	C4	1.5°	0.0°
C6	N1	C2	C7	179.9°	180.0°
C6	N1	C2	C3	3.5°	0.0°
N1	C6	C5	H7	178.5°	180.0°
C5	C4	C3	C2	0.1°	0.0°
C5	C4	C3	H2	180.0°	179.9°
C5	C4	C3	H1	179.9°	180.0°
C4	C5	C6	H8	178.5°	180.0°
N1	C2	C7	N8	1.3°	180.0°
N1	C2	C7	C3	176.5°	180.0°
N1	C2	C3	C4	1.8°	0.0°
N1	C2	C7	C12	176.1°	0.6°
N1	C2	C3	H1	178.2°	179.9°
C2	N1	C6	H8	176.6°	180.0°
C9	N8	C7	C2	178.5°	180.0°
N8	C9	C10	H6	180.0°	179.9°
C9	N8	C7	C12	1.0°	0.7°
N8	C9	C10	C11	1.0°	0.1°
N8	C9	C10	H5	179.0°	180.0°
N8	C7	C2	C12	177.4°	179.3°
N8	C7	C2	C3	177.8°	0.0°
C7	N8	C9	C10	0.6°	0.4°
N8	C7	C12	C11	1.9°	0.6°
N8	C7	C12	H3	178.1°	179.7°
C7	N8	C9	H6	179.4°	179.7°
C7	C2	C3	C4	178.1°	180.0°
C2	C7	C12	C11	179.1°	180.0°
C7	C2	C3	H1	1.9°	0.1°
C2	C7	C12	H3	0.9°	0.3°
C2	C3	C4	H1	180.0°	179.9°
C3	C2	C7	C12	0.4°	179.4°
C2	C3	C4	H2	179.9°	180.0°
C3	C4	C5	H7	179.8°	180.0°
C9	C10	C11	H5	180.0°	180.0°
C9	C10	C11	C12	1.8°	0.0°
C9	C10	C11	H4	178.2°	180.0°
C7	C12	C11	C10	2.2°	0.3°
C7	C12	C11	H3	180.0°	179.7°
C7	C12	C11	H4	177.8°	179.7°
C10	C11	C12	H4	180.0°	180.0°
C10	C11	C12	H3	177.8°	180.0°
C11	C10	C9	H6	179.0°	180.0°
C12	C11	C10	H5	178.2°	180.0°
H1	C3	C4	H2	0.1°	0.1°
H2	C4	C5	H7	0.2°	0.0°
H3	C12	C11	H4	2.2°	0.0°
H4	C11	C10	H5	1.8°	0.0°
H5	C10	C9	H6	1.0°	0.0°
H7	C5	C6	H8	1.5°	0.0°

220472

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