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Summary Geometry Related PDB entries

HZQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL8	C3	sing	1.74Å	1.73Å
C3	C7	doub	1.36Å	1.37Å	Aromatic
C3	C1	sing	1.41Å	1.42Å	Aromatic
C7	C10	sing	1.39Å	1.40Å	Aromatic
C1	C4	doub	1.41Å	1.42Å	Aromatic
C1	C2	sing	1.42Å	1.44Å	Aromatic
C4	C9	sing	1.37Å	1.37Å	Aromatic
C10	C5	doub	1.37Å	1.38Å	Aromatic
C9	C12	doub	1.39Å	1.40Å	Aromatic
C5	C2	sing	1.41Å	1.42Å	Aromatic
C5	O11	sing	1.36Å	1.36Å
C2	N6	doub	1.34Å	1.35Å	Aromatic
C12	N6	sing	1.31Å	1.33Å	Aromatic
C7	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
O11	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL8	C3	C7	119.6°	120.2°
CL8	C3	C1	120.1°	120.2°
C7	C3	C1	120.3°	119.7°
C3	C7	C10	120.9°	120.9°
C3	C7	H1	119.5°	119.5°
C3	C1	C4	122.1°	121.4°
C3	C1	C2	119.0°	119.7°
C7	C10	C5	120.9°	121.0°
C10	C7	H1	119.6°	119.6°
C7	C10	H3	119.6°	119.5°
C4	C1	C2	118.9°	119.0°
C1	C4	C9	118.7°	118.2°
C1	C4	H5	120.7°	120.9°
C1	C2	C5	118.8°	119.0°
C1	C2	N6	119.4°	119.9°
C4	C9	C12	119.3°	119.9°
C4	C9	H2	120.4°	120.1°
C9	C4	H5	120.7°	120.9°
C10	C5	C2	120.1°	119.7°
C10	C5	O11	119.9°	120.2°
C5	C10	H3	119.5°	119.5°
C9	C12	N6	122.5°	121.8°
C12	C9	H2	120.3°	120.0°
C9	C12	H4	118.8°	119.1°
C2	C5	O11	119.9°	120.2°
C5	C2	N6	121.8°	121.1°
C5	O11	H6	109.5°	114.0°
C2	N6	C12	121.2°	121.3°
N6	C12	H4	118.8°	119.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL8	C3	C7	C1	179.3°	179.9°
CL8	C3	C7	C10	178.3°	180.0°
CL8	C3	C1	C4	0.5°	0.0°
CL8	C3	C1	C2	178.8°	179.7°
CL8	C3	C7	H1	1.7°	0.1°
C3	C7	C10	H1	180.0°	179.9°
C7	C3	C1	C4	179.8°	180.0°
C7	C3	C1	C2	0.5°	0.4°
C3	C7	C10	C5	1.7°	0.2°
C3	C7	C10	H3	178.4°	180.0°
C1	C3	C7	C10	1.0°	0.1°
C3	C1	C4	C2	179.3°	179.7°
C3	C1	C4	C9	179.6°	179.6°
C3	C1	C2	C5	0.6°	0.3°
C3	C1	C2	N6	179.9°	179.7°
C1	C3	C7	H1	179.0°	180.0°
C3	C1	C4	H5	0.4°	0.3°
C7	C10	C5	H3	180.0°	179.7°
C7	C10	C5	C2	1.8°	0.3°
C7	C10	C5	O11	180.0°	180.0°
C1	C4	C9	H5	180.0°	179.9°
C1	C4	C9	C12	1.3°	0.0°
C4	C1	C2	C5	179.9°	180.0°
C4	C1	C2	N6	0.6°	0.0°
C1	C4	C9	H2	178.7°	179.9°
C2	C1	C4	C9	1.1°	0.0°
C1	C2	C5	C10	1.3°	0.0°
C1	C2	C5	N6	179.4°	180.0°
C1	C2	C5	O11	179.5°	179.7°
C1	C2	N6	C12	0.3°	0.0°
C2	C1	C4	H5	178.9°	180.0°
C4	C9	C12	H2	180.0°	180.0°
C4	C9	C12	N6	1.1°	0.0°
C4	C9	C12	H4	178.9°	180.0°
C10	C5	C2	O11	178.2°	179.7°
C10	C5	C2	N6	179.3°	180.0°
C5	C10	C7	H1	178.3°	179.7°
C10	C5	O11	H6	180.0°	90.0°
C9	C12	N6	C2	0.6°	0.0°
C9	C12	N6	H4	180.0°	180.0°
C12	C9	C4	H5	178.7°	180.0°
C5	C2	N6	C12	179.8°	180.0°
C2	C5	C10	H3	178.2°	180.0°
C2	C5	O11	H6	1.8°	89.7°
O11	C5	C2	N6	1.0°	0.3°
O11	C5	C10	H3	0.0°	0.3°
C2	N6	C12	H4	179.4°	180.0°
N6	C12	C9	H2	178.9°	180.0°
H1	C7	C10	H3	1.6°	0.0°
H2	C9	C12	H4	1.1°	0.0°
H2	C9	C4	H5	1.3°	0.0°

226262

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