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Summary Geometry Related PDB entries

56U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.39Å	1.41Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
F11	C10	sing	1.40Å	1.37Å
N7	C2	sing	1.38Å	1.36Å	Aromatic
N7	C8	sing	1.36Å	1.36Å	Aromatic
C2	C3	sing	1.41Å	1.51Å	Aromatic
C6	C5	doub	1.39Å	1.41Å	Aromatic
F12	C10	sing	1.40Å	1.37Å
C10	C8	sing	1.51Å	1.49Å
C8	N9	doub	1.30Å	1.37Å	Aromatic
C5	C4	sing	1.37Å	1.40Å	Aromatic
C3	N9	sing	1.36Å	1.36Å	Aromatic
C3	C4	doub	1.40Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.09Å	1.10Å
N7	H5	sing	0.97Å	1.00Å
C6	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	117.4°	119.7°
C1	C2	N7	133.9°	134.2°
C1	C2	C3	121.7°	119.8°
C2	C1	H1	121.3°	120.1°
C1	C6	C5	120.8°	120.4°
C6	C1	H1	121.3°	120.2°
C1	C6	H7	119.6°	119.8°
F11	C10	F12	107.7°	109.4°
F11	C10	C8	111.9°	109.5°
F11	C10	H4	110.4°	109.5°
C2	N7	C8	110.1°	107.3°
N7	C2	C3	104.4°	106.0°
C2	N7	H5	124.9°	126.4°
N7	C8	C10	123.6°	124.9°
N7	C8	N9	110.0°	110.1°
C8	N7	H5	124.9°	126.3°
C2	C3	N9	106.3°	106.9°
C2	C3	C4	118.7°	119.5°
C6	C5	C4	124.7°	120.7°
C6	C5	H3	117.7°	119.7°
C5	C6	H7	119.6°	119.7°
F12	C10	C8	107.5°	109.5°
F12	C10	H4	110.5°	109.4°
C10	C8	N9	126.4°	125.0°
C8	C10	H4	108.8°	109.5°
C8	N9	C3	109.1°	109.6°
C5	C4	C3	116.7°	119.9°
C5	C4	H2	121.6°	120.1°
C4	C5	H3	117.6°	119.7°
N9	C3	C4	135.0°	133.6°
C3	C4	H2	121.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.7°
C1	C2	N7	C3	179.5°	179.9°
C1	C2	N7	C8	179.8°	179.9°
C2	C1	C6	C5	1.2°	0.0°
C1	C2	C3	N9	179.4°	180.0°
C1	C2	C3	C4	0.5°	0.1°
C1	C2	N7	H5	0.2°	0.1°
C2	C1	C6	H7	178.8°	180.0°
C6	C1	C2	N7	179.4°	179.9°
C6	C1	C2	C3	1.2°	0.0°
C1	C6	C5	H7	180.0°	180.0°
C1	C6	C5	C4	0.7°	0.0°
C1	C6	C5	H3	179.3°	180.0°
F11	C10	C8	N7	19.0°	30.0°
F11	C10	F12	C8	120.8°	120.0°
F11	C10	F12	H4	120.6°	120.0°
F11	C10	C8	H4	122.3°	120.0°
F11	C10	C8	N9	162.8°	150.0°
C2	N7	C8	H5	180.0°	180.0°
C2	N7	C8	C10	179.2°	180.0°
C2	N7	C8	N9	0.7°	0.0°
N7	C2	C3	N9	0.2°	0.0°
N7	C2	C3	C4	179.9°	180.0°
N7	C2	C1	H1	0.6°	0.4°
C8	N7	C2	C3	0.3°	0.0°
N7	C8	C10	F12	99.0°	150.0°
N7	C8	C10	N9	178.2°	180.0°
N7	C8	N9	C3	0.8°	0.0°
N7	C8	C10	H4	141.3°	90.0°
C2	C3	N9	C8	0.6°	0.0°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	N9	C4	179.9°	180.0°
C3	C2	C1	H1	178.8°	179.7°
C2	C3	C4	H2	179.9°	180.0°
C3	C2	N7	H5	179.7°	180.0°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	C3	0.0°	0.1°
C5	C6	C1	H1	178.8°	179.7°
C6	C5	C4	H2	180.0°	180.0°
F12	C10	C8	H4	119.7°	120.0°
F12	C10	C8	N9	79.2°	30.0°
C10	C8	N9	C3	179.2°	180.0°
C10	C8	N7	H5	0.8°	0.0°
C8	N9	C3	C4	179.6°	180.0°
N9	C8	C10	H4	40.5°	90.0°
N9	C8	N7	H5	179.3°	179.9°
C5	C4	C3	N9	180.0°	179.9°
C5	C4	C3	H2	180.0°	179.9°
C4	C5	C6	H7	179.4°	179.9°
N9	C3	C4	H2	0.0°	0.0°
C3	C4	C5	H3	180.0°	180.0°
H1	C1	C6	H7	1.2°	0.3°
H2	C4	C5	H3	0.0°	0.1°
H3	C5	C6	H7	0.6°	0.0°

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