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Summary Geometry Related PDB entries

A1IVU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C8	doub	1.32Å	1.34Å	Aromatic
N2	C7	sing	1.32Å	1.34Å	Aromatic
C8	C9	sing	1.38Å	1.37Å	Aromatic
C7	C6	doub	1.38Å	1.37Å	Aromatic
C9	C5	doub	1.40Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.39Å	Aromatic
C5	N1	sing	1.39Å	1.40Å
CL2	C11	sing	1.74Å	1.73Å
C10	C11	doub	1.38Å	1.38Å	Aromatic
C10	C4	sing	1.39Å	1.40Å	Aromatic
N1	C4	sing	1.40Å	1.41Å
C11	C1	sing	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
C1	CL1	sing	1.74Å	1.73Å
C1	C2	doub	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
N1	H6	sing	0.97Å	1.00Å
C3	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N2	C7	116.3°	121.9°
N2	C8	C9	124.0°	120.9°
N2	C8	H3	118.0°	119.6°
N2	C7	C6	124.1°	120.8°
N2	C7	H2	118.0°	119.5°
C8	C9	C5	119.3°	119.0°
C9	C8	H3	118.0°	119.6°
C8	C9	H4	120.4°	120.5°
C7	C6	C5	119.2°	119.1°
C7	C6	H1	120.4°	120.5°
C6	C7	H2	117.9°	119.6°
C9	C5	C6	117.1°	118.3°
C9	C5	N1	120.1°	120.8°
C5	C9	H4	120.4°	120.5°
C6	C5	N1	122.8°	120.9°
C5	C6	H1	120.4°	120.4°
C5	N1	C4	127.5°	120.0°
C5	N1	H6	116.3°	120.0°
CL2	C11	C10	117.7°	120.0°
CL2	C11	C1	121.6°	120.0°
C11	C10	C4	119.5°	119.9°
C10	C11	C1	120.7°	120.0°
C11	C10	H5	120.3°	120.1°
C10	C4	N1	120.9°	120.1°
C10	C4	C3	119.3°	119.9°
C4	C10	H5	120.2°	120.0°
N1	C4	C3	119.7°	120.0°
C4	N1	H6	116.3°	120.0°
C11	C1	CL1	121.8°	119.9°
C11	C1	C2	119.8°	120.2°
C4	C3	C2	120.9°	119.9°
C4	C3	H7	119.5°	120.1°
CL1	C1	C2	118.4°	119.9°
C1	C2	C3	119.8°	120.0°
C1	C2	H8	120.1°	120.0°
C2	C3	H7	119.6°	120.0°
C3	C2	H8	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C8	C9	H3	180.0°	180.0°
C8	N2	C7	C6	0.1°	0.2°
N2	C8	C9	C5	0.3°	0.1°
C8	N2	C7	H2	179.9°	179.8°
N2	C8	C9	H4	179.7°	180.0°
C7	N2	C8	C9	0.4°	0.2°
N2	C7	C6	H2	180.0°	180.0°
N2	C7	C6	C5	0.4°	0.0°
N2	C7	C6	H1	179.6°	180.0°
C7	N2	C8	H3	179.6°	179.8°
C8	C9	C5	H4	180.0°	179.9°
C8	C9	C5	C6	0.2°	0.3°
C8	C9	C5	N1	179.0°	180.0°
C7	C6	C5	C9	0.5°	0.3°
C7	C6	C5	H1	180.0°	180.0°
C7	C6	C5	N1	179.2°	179.9°
C9	C5	C6	N1	178.7°	179.7°
C9	C5	N1	C4	111.3°	29.5°
C9	C5	C6	H1	179.5°	179.7°
C5	C9	C8	H3	179.7°	179.9°
C9	C5	N1	H6	68.7°	150.5°
C6	C5	N1	C4	67.4°	150.9°
C5	C6	C7	H2	179.7°	180.0°
C6	C5	C9	H4	179.8°	179.8°
C6	C5	N1	H6	112.6°	29.2°
C5	N1	C4	C10	22.9°	30.6°
C5	N1	C4	H6	180.0°	180.0°
C5	N1	C4	C3	155.8°	149.8°
N1	C5	C6	H1	0.8°	0.0°
N1	C5	C9	H4	1.1°	0.1°
CL2	C11	C10	C1	179.5°	180.0°
CL2	C11	C10	C4	180.0°	180.0°
CL2	C11	C1	CL1	0.7°	0.0°
CL2	C11	C1	C2	179.5°	180.0°
CL2	C11	C10	H5	0.0°	0.0°
C11	C10	C4	H5	180.0°	180.0°
C11	C10	C4	N1	179.4°	179.7°
C11	C10	C4	C3	0.7°	0.1°
C10	C11	C1	CL1	179.8°	180.0°
C10	C11	C1	C2	0.1°	0.0°
C10	C4	N1	C3	178.7°	179.6°
C4	C10	C11	C1	0.5°	0.0°
C10	C4	C3	C2	0.6°	0.1°
C10	C4	N1	H6	157.1°	149.5°
C10	C4	C3	H7	179.4°	180.0°
N1	C4	C3	C2	179.3°	179.7°
N1	C4	C10	H5	0.6°	0.3°
N1	C4	C3	H7	0.7°	0.4°
C11	C1	CL1	C2	179.8°	180.0°
C11	C1	C2	C3	0.1°	0.0°
C1	C11	C10	H5	179.5°	180.0°
C11	C1	C2	H8	179.8°	180.0°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	H7	180.0°	179.9°
C3	C4	C10	H5	179.3°	180.0°
C3	C4	N1	H6	24.2°	30.2°
C4	C3	C2	H8	179.9°	179.9°
CL1	C1	C2	C3	179.7°	180.0°
CL1	C1	C2	H8	0.4°	0.0°
C1	C2	C3	H8	180.0°	180.0°
C1	C2	C3	H7	179.9°	180.0°
H1	C6	C7	H2	0.3°	0.0°
H3	C8	C9	H4	0.3°	0.0°
H7	C3	C2	H8	0.1°	0.0°

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