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Summary Geometry Related PDB entries

GD1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N77	C77	doub	1.30Å	1.23Å
C77	C7	sing	1.47Å	1.47Å
C7	C8	doub	1.36Å	1.39Å	Aromatic
C7	C5	sing	1.47Å	1.43Å	Aromatic
C8	N9	sing	1.36Å	1.37Å	Aromatic
O6	C6	doub	1.22Å	1.37Å
C5	C6	sing	1.41Å	1.44Å
C5	C4	doub	1.40Å	1.42Å	Aromatic
N9	C4	sing	1.37Å	1.35Å	Aromatic
C6	N1	sing	1.35Å	1.37Å
C4	N3	sing	1.34Å	1.36Å
N1	C2	sing	1.36Å	1.38Å
N3	C2	doub	1.31Å	1.35Å
C2	N2	sing	1.37Å	1.34Å
C77	H1	sing	1.08Å	1.08Å
N77	H2	sing	0.97Å	1.00Å
N1	H3	sing	0.97Å	1.00Å
N2	H4	sing	0.97Å	1.00Å
N2	H5	sing	0.97Å	1.00Å
N9	H6	sing	0.97Å	1.00Å
C8	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N77	C77	C7	121.0°	120.0°
N77	C77	H1	119.5°	120.1°
C77	N77	H2	112.0°	120.0°
C77	C7	C8	117.1°	126.9°
C77	C7	C5	132.1°	126.8°
C7	C77	H1	119.5°	119.9°
C8	C7	C5	110.8°	106.3°
C7	C8	N9	107.1°	109.5°
C7	C8	H7	126.5°	125.3°
C7	C5	C6	142.8°	134.6°
C7	C5	C4	101.3°	106.1°
C8	N9	C4	108.2°	110.5°
C8	N9	H6	125.9°	124.7°
N9	C8	H7	126.4°	125.2°
O6	C6	C5	126.8°	120.9°
O6	C6	N1	115.2°	120.9°
C6	C5	C4	115.9°	119.2°
C5	C6	N1	118.0°	118.2°
C5	C4	N9	112.6°	107.6°
C5	C4	N3	124.6°	119.1°
N9	C4	N3	122.8°	133.3°
C4	N9	H6	125.9°	124.8°
C6	N1	C2	122.7°	120.1°
C6	N1	H3	118.6°	119.9°
C4	N3	C2	117.4°	121.2°
N1	C2	N3	121.3°	122.1°
N1	C2	N2	120.2°	118.9°
C2	N1	H3	118.6°	119.9°
N3	C2	N2	118.5°	119.0°
C2	N2	H4	120.0°	120.1°
C2	N2	H5	120.0°	120.0°
H4	N2	H5	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N77	C77	C7	H1	180.0°	179.9°
N77	C77	C7	C8	169.6°	180.0°
N77	C77	C7	C5	9.9°	0.0°
C77	C7	C8	C5	179.6°	180.0°
C77	C7	C8	N9	179.5°	180.0°
C77	C7	C5	C6	0.5°	0.0°
C77	C7	C5	C4	179.9°	180.0°
C7	C77	N77	H2	180.0°	180.0°
C77	C7	C8	H7	0.5°	0.0°
C7	C8	N9	H7	180.0°	180.0°
C8	C7	C5	C6	179.9°	179.9°
C8	C7	C5	C4	0.5°	0.0°
C7	C8	N9	C4	0.7°	0.1°
C8	C7	C77	H1	10.4°	0.1°
C7	C8	N9	H6	179.3°	180.0°
C5	C7	C8	N9	0.1°	0.0°
C7	C5	C6	O6	0.5°	0.1°
C7	C5	C6	C4	179.4°	179.9°
C7	C5	C4	N9	1.0°	0.0°
C7	C5	C6	N1	178.7°	179.8°
C7	C5	C4	N3	179.0°	180.0°
C5	C7	C77	H1	170.1°	180.0°
C5	C7	C8	H7	179.9°	180.0°
C8	N9	C4	C5	1.1°	0.1°
C8	N9	C4	H6	180.0°	180.0°
C8	N9	C4	N3	178.8°	180.0°
O6	C6	C5	N1	179.1°	179.7°
O6	C6	C5	C4	179.8°	180.0°
O6	C6	N1	C2	179.9°	179.9°
O6	C6	N1	H3	0.1°	0.0°
C6	C5	C4	N9	179.4°	180.0°
C6	C5	C4	N3	0.6°	0.1°
C5	C6	N1	C2	0.9°	0.2°
C5	C6	N1	H3	179.1°	179.7°
C5	C4	N9	N3	180.0°	179.9°
C4	C5	C6	N1	0.7°	0.3°
C5	C4	N3	C2	0.7°	0.2°
C5	C4	N9	H6	178.9°	180.0°
N9	C4	N3	C2	179.3°	179.7°
C4	N9	C8	H7	179.3°	180.0°
C6	N1	C2	H3	180.0°	179.9°
C6	N1	C2	N3	1.0°	0.0°
C6	N1	C2	N2	178.4°	180.0°
C4	N3	C2	N1	0.9°	0.2°
C4	N3	C2	N2	178.5°	179.8°
N3	C4	N9	H6	1.2°	0.1°
N1	C2	N3	N2	179.4°	180.0°
N1	C2	N2	H4	179.4°	0.1°
N1	C2	N2	H5	0.6°	180.0°
N3	C2	N1	H3	179.0°	179.9°
N3	C2	N2	H4	0.0°	180.0°
N3	C2	N2	H5	180.0°	0.0°
N2	C2	N1	H3	1.6°	0.0°
C2	N2	H4	H5	179.9°	179.9°
H1	C77	N77	H2	0.0°	0.1°
H6	N9	C8	H7	0.7°	0.0°

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