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Summary Geometry Related PDB entries

3SQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C9	sing	1.35Å	1.34Å
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.41Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C11	C6	doub	1.39Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.39Å	1.40Å	Aromatic
C6	C4	sing	1.48Å	1.45Å
C4	C2	doub	1.36Å	1.39Å	Aromatic
C4	N3	sing	1.35Å	1.39Å	Aromatic
C2	N1	sing	1.37Å	1.39Å	Aromatic
N3	C5	doub	1.30Å	1.37Å	Aromatic
N1	C5	sing	1.35Å	1.36Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
N1	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C9	C10	119.0°	119.9°
F	C9	C8	117.4°	119.9°
C9	C10	C11	118.1°	120.1°
C10	C9	C8	123.5°	120.2°
C9	C10	H5	121.0°	119.9°
C10	C11	C6	118.8°	119.9°
C10	C11	H4	120.6°	120.1°
C11	C10	H5	121.0°	120.0°
C9	C8	C7	118.4°	120.1°
C9	C8	H6	120.8°	120.0°
C11	C6	C7	121.9°	119.8°
C11	C6	C4	118.5°	120.1°
C6	C11	H4	120.6°	120.0°
C8	C7	C6	119.4°	119.9°
C8	C7	H3	120.3°	120.1°
C7	C8	H6	120.8°	119.9°
C7	C6	C4	119.6°	120.1°
C6	C7	H3	120.3°	120.0°
C6	C4	C2	129.5°	126.1°
C6	C4	N3	125.5°	126.2°
C2	C4	N3	104.8°	107.7°
C4	C2	N1	111.7°	106.6°
C4	C2	H1	124.1°	126.7°
C4	N3	C5	108.0°	109.2°
C2	N1	C5	104.0°	107.4°
N1	C2	H1	124.2°	126.6°
C2	N1	H7	128.0°	126.3°
N3	C5	N1	111.5°	109.0°
N3	C5	H2	124.3°	125.5°
N1	C5	H2	124.3°	125.5°
C5	N1	H7	128.0°	126.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C9	C10	C8	180.0°	179.8°
F	C9	C10	C11	179.6°	179.9°
F	C9	C8	C7	179.8°	179.7°
F	C9	C10	H5	0.4°	0.3°
F	C9	C8	H6	0.1°	0.2°
C9	C10	C11	H5	180.0°	179.7°
C9	C10	C11	C6	1.0°	0.0°
C10	C9	C8	C7	0.2°	0.5°
C9	C10	C11	H4	179.1°	180.0°
C10	C9	C8	H6	179.9°	180.0°
C11	C10	C9	C8	0.4°	0.3°
C10	C11	C6	H4	180.0°	180.0°
C10	C11	C6	C7	1.3°	0.0°
C10	C11	C6	C4	178.3°	179.7°
C9	C8	C7	H6	180.0°	179.5°
C9	C8	C7	C6	0.5°	0.5°
C9	C8	C7	H3	179.5°	179.5°
C8	C9	C10	H5	179.6°	180.0°
C11	C6	C7	C8	1.1°	0.3°
C11	C6	C7	C4	176.9°	179.7°
C11	C6	C4	C2	12.2°	0.3°
C11	C6	C4	N3	172.7°	179.7°
C11	C6	C7	H3	178.9°	179.7°
C6	C11	C10	H5	179.0°	179.7°
C8	C7	C6	H3	180.0°	180.0°
C8	C7	C6	C4	178.0°	180.0°
C7	C6	C4	C2	164.8°	180.0°
C7	C6	C4	N3	10.3°	0.0°
C7	C6	C11	H4	178.7°	180.0°
C6	C7	C8	H6	179.5°	180.0°
C6	C4	C2	N3	175.8°	179.9°
C6	C4	C2	N1	177.6°	180.0°
C6	C4	N3	C5	178.0°	179.8°
C6	C4	C2	H1	2.4°	0.2°
C4	C6	C7	H3	2.0°	0.1°
C4	C6	C11	H4	1.7°	0.3°
C4	C2	N1	H1	180.0°	179.8°
C2	C4	N3	C5	2.0°	0.3°
C4	C2	N1	C5	0.8°	0.2°
C4	C2	N1	H7	179.2°	179.8°
N3	C4	C2	N1	1.8°	0.0°
C4	N3	C5	N1	1.6°	0.4°
N3	C4	C2	H1	178.2°	179.8°
C4	N3	C5	H2	178.5°	179.9°
C2	N1	C5	N3	0.5°	0.4°
C2	N1	C5	H7	180.0°	180.0°
C2	N1	C5	H2	179.6°	179.9°
N3	C5	N1	H2	180.0°	179.6°
N3	C5	N1	H7	179.5°	179.6°
C5	N1	C2	H1	179.1°	180.0°
H1	C2	N1	H7	0.9°	0.0°
H2	C5	N1	H7	0.4°	0.1°
H3	C7	C8	H6	0.5°	0.0°
H4	C11	C10	H5	1.0°	0.3°

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