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Summary Geometry Related PDB entries

9BV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.39Å	1.38Å	Aromatic
C1	C6	doub	1.36Å	1.36Å	Aromatic
C2	C3	doub	1.36Å	1.37Å	Aromatic
C6	C5	sing	1.40Å	1.42Å	Aromatic
C3	C4	sing	1.41Å	1.42Å	Aromatic
C5	C4	sing	1.47Å	1.42Å	Aromatic
C5	C7	doub	1.40Å	1.42Å	Aromatic
C4	N10	doub	1.33Å	1.37Å	Aromatic
O14	C7	sing	1.35Å	1.30Å
C7	N8	sing	1.36Å	1.37Å	Aromatic
N10	C9	sing	1.33Å	1.32Å	Aromatic
N8	C9	sing	1.37Å	1.46Å	Aromatic
N8	N13	sing	1.40Å	1.38Å	Aromatic
C9	N11	doub	1.33Å	1.39Å	Aromatic
N13	N12	doub	1.29Å	1.32Å	Aromatic
N11	N12	sing	1.28Å	1.35Å	Aromatic
C6	HC6	sing	1.08Å	1.08Å
C1	HC1	sing	1.08Å	1.08Å
C2	HC2	sing	1.08Å	1.08Å
C3	HC3	sing	1.08Å	1.08Å
O14	HO14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.6°	121.6°
C1	C2	C3	120.8°	121.9°
C2	C1	HC1	119.7°	119.1°
C1	C2	HC2	119.6°	119.1°
C1	C6	C5	121.0°	119.3°
C1	C6	HC6	119.5°	120.3°
C6	C1	HC1	119.7°	119.2°
C2	C3	C4	120.5°	119.5°
C3	C2	HC2	119.6°	119.0°
C2	C3	HC3	119.8°	120.3°
C6	C5	C4	118.3°	119.2°
C6	C5	C7	121.6°	122.4°
C5	C6	HC6	119.5°	120.3°
C3	C4	C5	118.9°	118.6°
C3	C4	N10	118.3°	122.1°
C4	C3	HC3	119.8°	120.2°
C4	C5	C7	120.1°	118.4°
C5	C4	N10	122.8°	119.3°
C5	C7	O14	120.1°	121.0°
C5	C7	N8	116.2°	118.1°
C4	N10	C9	117.0°	120.8°
O14	C7	N8	123.6°	121.0°
C7	O14	HO14	109.5°	117.0°
C7	N8	C9	120.6°	121.5°
C7	N8	N13	131.8°	133.0°
N10	C9	N8	123.3°	121.9°
N10	C9	N11	134.1°	131.8°
C9	N8	N13	107.6°	105.5°
N8	C9	N11	102.6°	106.2°
N8	N13	N12	108.9°	107.0°
C9	N11	N12	111.1°	110.3°
N13	N12	N11	109.7°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	HC1	180.0°	179.9°
C1	C2	C3	HC2	180.0°	179.8°
C2	C1	C6	C5	0.0°	0.1°
C1	C2	C3	C4	0.1°	0.0°
C2	C1	C6	HC6	180.0°	179.8°
C1	C2	C3	HC3	179.9°	179.9°
C6	C1	C2	C3	0.1°	0.2°
C1	C6	C5	HC6	180.0°	180.0°
C1	C6	C5	C4	0.0°	0.0°
C1	C6	C5	C7	179.9°	180.0°
C6	C1	C2	HC2	179.9°	180.0°
C2	C3	C4	HC3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.2°
C2	C3	C4	N10	179.9°	180.0°
C3	C2	C1	HC1	180.0°	179.9°
C6	C5	C4	C3	0.1°	0.2°
C6	C5	C4	C7	179.9°	180.0°
C6	C5	C4	N10	179.9°	180.0°
C6	C5	C7	O14	0.1°	0.3°
C6	C5	C7	N8	179.9°	180.0°
C5	C6	C1	HC1	180.0°	179.9°
C3	C4	C5	N10	180.0°	179.8°
C3	C4	C5	C7	180.0°	179.8°
C3	C4	N10	C9	180.0°	180.0°
C4	C3	C2	HC2	179.8°	179.8°
C4	C5	C7	O14	179.9°	179.7°
C4	C5	C7	N8	0.0°	0.1°
C5	C4	N10	C9	0.1°	0.3°
C4	C5	C6	HC6	180.0°	180.0°
C5	C4	C3	HC3	179.9°	179.7°
C7	C5	C4	N10	0.0°	0.0°
C5	C7	O14	N8	179.9°	179.6°
C5	C7	N8	C9	0.0°	0.3°
C5	C7	N8	N13	179.9°	180.0°
C7	C5	C6	HC6	0.1°	0.0°
C5	C7	O14	HO14	180.0°	179.6°
C4	N10	C9	N8	0.1°	0.6°
C4	N10	C9	N11	179.9°	179.8°
N10	C4	C3	HC3	0.1°	0.0°
O14	C7	N8	C9	180.0°	180.0°
O14	C7	N8	N13	0.0°	0.4°
C7	N8	C9	N10	0.0°	0.6°
C7	N8	C9	N13	180.0°	179.7°
C7	N8	C9	N11	180.0°	180.0°
C7	N8	N13	N12	180.0°	179.9°
N8	C7	O14	HO14	0.1°	0.0°
N10	C9	N8	N11	180.0°	179.4°
N10	C9	N8	N13	180.0°	179.7°
N10	C9	N11	N12	180.0°	179.4°
C9	N8	N13	N12	0.0°	0.4°
N8	C9	N11	N12	0.0°	0.0°
N13	N8	C9	N11	0.0°	0.3°
N8	N13	N12	N11	0.0°	0.4°
C9	N11	N12	N13	0.0°	0.3°
HC6	C6	C1	HC1	0.0°	0.1°
HC1	C1	C2	HC2	0.1°	0.1°
HC2	C2	C3	HC3	0.1°	0.3°

219140

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