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Summary Geometry Related PDB entries

A1H4J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C6	doub	1.38Å	1.38Å	Aromatic
C7	C2	sing	1.38Å	1.37Å	Aromatic
CL1	C2	sing	1.74Å	1.74Å
C6	C5	sing	1.39Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.37Å	Aromatic
N12	C8	doub	1.32Å	1.34Å	Aromatic
N12	N11	sing	1.40Å	1.36Å	Aromatic
C5	C8	sing	1.48Å	1.47Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.41Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
N11	C10	sing	1.35Å	1.34Å	Aromatic
C10	C9	doub	1.35Å	1.36Å	Aromatic
C3	H14	sing	1.08Å	1.08Å
C6	H16	sing	1.08Å	1.08Å
C7	H17	sing	1.08Å	1.08Å
C10	H19	sing	1.08Å	1.08Å
C4	H15	sing	1.08Å	1.08Å
C9	H18	sing	1.08Å	1.08Å
N11	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C7	C2	119.6°	120.1°
C7	C6	C5	120.4°	119.9°
C7	C6	H16	119.8°	120.0°
C6	C7	H17	120.2°	120.0°
C7	C2	CL1	119.5°	119.9°
C7	C2	C3	121.1°	120.2°
C2	C7	H17	120.2°	119.9°
CL1	C2	C3	119.4°	119.9°
C6	C5	C8	121.1°	120.1°
C6	C5	C4	118.7°	119.8°
C5	C6	H16	119.8°	120.1°
C2	C3	C4	119.6°	120.1°
C2	C3	H14	120.2°	119.9°
C8	N12	N11	105.7°	108.2°
N12	C8	C5	122.3°	126.1°
N12	C8	C9	108.7°	107.9°
N12	N11	C10	112.1°	108.1°
N12	N11	H13	123.9°	126.0°
C8	C5	C4	120.2°	120.1°
C5	C8	C9	129.0°	126.0°
C5	C4	C3	120.6°	119.9°
C5	C4	H15	119.7°	120.1°
C8	C9	C10	107.4°	107.9°
C8	C9	H18	126.3°	126.1°
C4	C3	H14	120.2°	120.0°
C3	C4	H15	119.7°	120.0°
N11	C10	C9	106.1°	107.9°
N11	C10	H19	126.9°	126.0°
C10	N11	H13	124.0°	125.9°
C9	C10	H19	126.9°	126.0°
C10	C9	H18	126.3°	126.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C7	C2	H17	180.0°	180.0°
C6	C7	C2	CL1	180.0°	179.7°
C7	C6	C5	H16	180.0°	179.9°
C6	C7	C2	C3	0.0°	0.0°
C7	C6	C5	C8	180.0°	179.9°
C7	C6	C5	C4	0.0°	0.0°
C7	C2	CL1	C3	179.9°	179.7°
C2	C7	C6	C5	0.0°	0.0°
C7	C2	C3	C4	0.0°	0.0°
C7	C2	C3	H14	180.0°	180.0°
C2	C7	C6	H16	180.0°	179.9°
CL1	C2	C3	C4	180.0°	179.8°
CL1	C2	C3	H14	0.0°	0.3°
CL1	C2	C7	H17	0.1°	0.3°
C6	C5	C8	N12	35.7°	179.8°
C6	C5	C8	C4	180.0°	180.0°
C6	C5	C8	C9	144.3°	0.0°
C6	C5	C4	C3	0.0°	0.0°
C5	C6	C7	H17	180.0°	179.9°
C6	C5	C4	H15	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.0°
C2	C3	C4	H14	180.0°	180.0°
C3	C2	C7	H17	180.0°	180.0°
C2	C3	C4	H15	180.0°	180.0°
N12	C8	C5	C9	179.9°	179.8°
N12	C8	C5	C4	144.3°	0.2°
C8	N12	N11	C10	0.1°	0.1°
N12	C8	C9	C10	0.0°	0.2°
N12	C8	C9	H18	180.0°	179.8°
C8	N12	N11	H13	179.9°	179.9°
N11	N12	C8	C5	180.0°	180.0°
N11	N12	C8	C9	0.1°	0.2°
N12	N11	C10	H13	180.0°	180.0°
N12	N11	C10	C9	0.0°	0.0°
N12	N11	C10	H19	180.0°	179.9°
C8	C5	C4	C3	180.0°	180.0°
C5	C8	C9	C10	180.0°	180.0°
C8	C5	C6	H16	0.0°	0.1°
C8	C5	C4	H15	0.0°	0.0°
C5	C8	C9	H18	0.0°	0.0°
C4	C5	C8	C9	35.7°	180.0°
C5	C4	C3	H15	180.0°	180.0°
C5	C4	C3	H14	180.0°	180.0°
C4	C5	C6	H16	180.0°	179.9°
C8	C9	C10	N11	0.0°	0.1°
C8	C9	C10	H18	180.0°	180.0°
C8	C9	C10	H19	180.0°	180.0°
N11	C10	C9	H19	180.0°	179.9°
N11	C10	C9	H18	180.0°	179.9°
C9	C10	N11	H13	179.9°	180.0°
H14	C3	C4	H15	0.0°	0.0°
H16	C6	C7	H17	0.0°	0.0°
H19	C10	C9	H18	0.0°	0.0°
H19	C10	N11	H13	0.1°	0.1°

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