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Summary Geometry Related PDB entries

PJ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	sing	1.39Å	1.39Å	Aromatic
C6	N5	doub	1.31Å	1.30Å	Aromatic
C7	C8	doub	1.37Å	1.36Å	Aromatic
N5	C4	sing	1.33Å	1.33Å	Aromatic
C8	C9	sing	1.41Å	1.40Å	Aromatic
C4	C9	doub	1.42Å	1.41Å	Aromatic
C4	C3	sing	1.41Å	1.40Å	Aromatic
C9	N10	sing	1.34Å	1.33Å	Aromatic
C3	C2	doub	1.36Å	1.35Å	Aromatic
N10	C11	doub	1.32Å	1.31Å	Aromatic
C2	C11	sing	1.40Å	1.40Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
C11	N12	sing	1.39Å	1.38Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
N12	H8	sing	0.97Å	1.00Å
N12	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	N5	121.3°	121.6°
C6	C7	C8	120.1°	120.0°
C7	C6	H5	119.3°	119.2°
C6	C7	H6	119.9°	120.0°
C6	N5	C4	121.4°	121.4°
N5	C6	H5	119.3°	119.2°
C7	C8	C9	118.2°	118.2°
C8	C7	H6	119.9°	120.1°
C7	C8	H7	120.9°	120.9°
N5	C4	C9	120.3°	120.1°
N5	C4	C3	120.6°	121.1°
C8	C9	C4	118.6°	118.7°
C8	C9	N10	120.9°	121.0°
C9	C8	H7	120.9°	120.9°
C9	C4	C3	119.1°	118.8°
C4	C9	N10	120.5°	120.3°
C4	C3	C2	117.9°	118.4°
C4	C3	H4	121.1°	120.8°
C9	N10	C11	120.8°	121.2°
C3	C2	C11	120.2°	119.9°
C3	C2	C1	119.6°	120.1°
C2	C3	H4	121.0°	120.8°
N10	C11	C2	121.5°	121.4°
N10	C11	N12	119.1°	119.3°
C11	C2	C1	120.2°	120.0°
C2	C11	N12	119.3°	119.3°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.4°	109.5°
C11	N12	H8	109.5°	120.0°
C11	N12	H9	109.5°	120.0°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H8	N12	H9	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	N5	H5	180.0°	179.9°
C6	C7	C8	H6	180.0°	180.0°
C7	C6	N5	C4	0.1°	0.0°
C6	C7	C8	C9	0.1°	0.0°
C6	C7	C8	H7	179.9°	180.0°
N5	C6	C7	C8	0.0°	0.0°
C6	N5	C4	C9	0.1°	0.0°
C6	N5	C4	C3	180.0°	180.0°
N5	C6	C7	H6	180.0°	180.0°
C7	C8	C9	H7	180.0°	180.0°
C7	C8	C9	C4	0.1°	0.0°
C7	C8	C9	N10	179.9°	179.8°
C8	C7	C6	H5	180.0°	179.9°
N5	C4	C9	C8	0.0°	0.0°
N5	C4	C9	C3	180.0°	180.0°
N5	C4	C9	N10	179.8°	179.8°
N5	C4	C3	C2	180.0°	180.0°
N5	C4	C3	H4	0.0°	0.1°
C4	N5	C6	H5	179.9°	179.9°
C8	C9	C4	N10	179.8°	179.7°
C8	C9	C4	C3	179.9°	180.0°
C8	C9	N10	C11	180.0°	179.7°
C9	C8	C7	H6	179.9°	180.0°
C9	C4	C3	C2	0.1°	0.0°
C4	C9	N10	C11	0.2°	0.6°
C9	C4	C3	H4	179.9°	180.0°
C4	C9	C8	H7	179.9°	180.0°
C3	C4	C9	N10	0.1°	0.3°
C4	C3	C2	H4	180.0°	180.0°
C4	C3	C2	C11	0.1°	0.0°
C4	C3	C2	C1	179.9°	179.7°
C9	N10	C11	C2	0.2°	0.5°
C9	N10	C11	N12	179.9°	179.4°
N10	C9	C8	H7	0.1°	0.3°
C3	C2	C11	N10	0.0°	0.2°
C3	C2	C11	C1	180.0°	179.8°
C3	C2	C11	N12	179.9°	179.7°
C3	C2	C1	H1	90.0°	89.7°
C3	C2	C1	H2	150.0°	30.3°
C3	C2	C1	H3	30.0°	150.2°
N10	C11	C2	N12	179.9°	179.9°
N10	C11	C2	C1	180.0°	180.0°
N10	C11	N12	H8	0.0°	180.0°
N10	C11	N12	H9	120.0°	0.1°
C11	C2	C1	H1	90.0°	90.0°
C11	C2	C1	H2	30.0°	150.0°
C11	C2	C1	H3	150.0°	30.0°
C11	C2	C3	H4	179.9°	179.9°
C2	C11	N12	H8	179.9°	0.1°
C2	C11	N12	H9	59.9°	180.0°
C1	C2	C11	N12	0.1°	0.1°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H4	0.1°	0.3°
C11	N12	H8	H9	120.0°	179.9°
H1	C1	H2	H3	120.0°	120.0°
H5	C6	C7	H6	0.0°	0.1°
H6	C7	C8	H7	0.1°	0.0°

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