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Summary Geometry Related PDB entries

A1IIV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	N13	sing	1.33Å	1.35Å	Aromatic
C14	N15	doub	1.31Å	1.32Å	Aromatic
N13	C12	doub	1.31Å	1.31Å	Aromatic
N15	N11	sing	1.40Å	1.35Å	Aromatic
C12	N11	sing	1.35Å	1.35Å	Aromatic
N11	C10	sing	1.39Å	1.42Å
CL16	C9	sing	1.74Å	1.74Å
C10	C9	doub	1.34Å	1.34Å
C9	C3	sing	1.48Å	1.48Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.40Å	1.39Å	Aromatic
C1	C6	doub	1.38Å	1.38Å	Aromatic
C4	CL8	sing	1.74Å	1.73Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C6	CL7	sing	1.74Å	1.74Å
C5	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N13	C14	N15	115.9°	109.0°
C14	N13	C12	102.2°	109.8°
N13	C14	H6	122.1°	125.5°
C14	N15	N11	102.0°	106.8°
N15	C14	H6	122.1°	125.5°
N13	C12	N11	110.6°	108.0°
N13	C12	H5	124.7°	125.9°
N15	N11	C12	109.3°	106.3°
N15	N11	C10	128.0°	126.9°
C12	N11	C10	122.5°	126.8°
N11	C12	H5	124.7°	126.0°
N11	C10	C9	121.3°	119.9°
N11	C10	H4	119.3°	120.1°
CL16	C9	C10	115.9°	120.0°
CL16	C9	C3	114.2°	120.0°
C10	C9	C3	129.9°	120.0°
C9	C10	H4	119.3°	120.0°
C9	C3	C2	117.7°	120.2°
C9	C3	C4	124.1°	120.1°
C3	C2	C1	121.1°	119.9°
C2	C3	C4	118.0°	119.7°
C3	C2	H2	119.4°	120.0°
C2	C1	C6	119.1°	120.1°
C1	C2	H2	119.4°	120.0°
C2	C1	H3	120.5°	120.0°
C3	C4	CL8	120.4°	120.1°
C3	C4	C5	121.6°	119.8°
C1	C6	C5	121.7°	120.3°
C1	C6	CL7	119.2°	119.8°
C6	C1	H3	120.4°	119.9°
CL8	C4	C5	118.0°	120.1°
C4	C5	C6	118.5°	120.1°
C4	C5	H1	120.7°	120.0°
C5	C6	CL7	119.1°	119.8°
C6	C5	H1	120.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	C14	N15	H6	180.0°	179.7°
N13	C14	N15	N11	0.1°	0.4°
C14	N13	C12	N11	0.1°	0.0°
C14	N13	C12	H5	179.9°	179.8°
N15	C14	N13	C12	0.0°	0.3°
C14	N15	N11	C12	0.2°	0.4°
C14	N15	N11	C10	176.2°	179.6°
N13	C12	N11	N15	0.2°	0.2°
N13	C12	N11	H5	180.0°	179.8°
N13	C12	N11	C10	176.4°	179.8°
C12	N13	C14	H6	180.0°	180.0°
N15	N11	C12	C10	176.6°	180.0°
N15	N11	C10	C9	82.1°	0.0°
N15	N11	C10	H4	98.0°	180.0°
N15	N11	C12	H5	179.8°	180.0°
N11	N15	C14	H6	179.9°	179.9°
C12	N11	C10	C9	93.8°	180.0°
C12	N11	C10	H4	86.1°	0.0°
N11	C10	C9	CL16	11.6°	5.8°
N11	C10	C9	H4	180.0°	179.9°
N11	C10	C9	C3	165.6°	174.0°
C10	N11	C12	H5	3.6°	0.0°
CL16	C9	C10	C3	177.2°	179.8°
CL16	C9	C3	C2	63.5°	122.4°
CL16	C9	C3	C4	111.3°	57.3°
CL16	C9	C10	H4	168.3°	174.3°
C10	C9	C3	C2	113.8°	57.3°
C10	C9	C3	C4	71.5°	122.9°
C9	C3	C2	C4	175.1°	179.7°
C9	C3	C2	C1	174.8°	180.0°
C9	C3	C4	CL8	6.2°	0.3°
C9	C3	C4	C5	174.4°	179.8°
C9	C3	C2	H2	5.2°	0.2°
C3	C9	C10	H4	14.5°	6.0°
C3	C2	C1	H2	180.0°	179.8°
C3	C2	C1	C6	0.0°	0.3°
C2	C3	C4	CL8	179.1°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C3	C2	C1	H3	180.0°	179.8°
C1	C2	C3	C4	0.2°	0.3°
C2	C1	C6	H3	180.0°	179.9°
C2	C1	C6	C5	0.2°	0.0°
C2	C1	C6	CL7	178.9°	180.0°
C3	C4	CL8	C5	179.5°	179.9°
C3	C4	C5	C6	0.1°	0.2°
C3	C4	C5	H1	179.9°	180.0°
C4	C3	C2	H2	179.7°	180.0°
C1	C6	C5	C4	0.1°	0.2°
C1	C6	C5	CL7	179.0°	180.0°
C1	C6	C5	H1	179.9°	180.0°
C6	C1	C2	H2	180.0°	180.0°
CL8	C4	C5	C6	179.3°	179.7°
CL8	C4	C5	H1	0.7°	0.0°
C4	C5	C6	H1	180.0°	179.8°
C4	C5	C6	CL7	178.9°	179.8°
C5	C6	C1	H3	179.9°	180.0°
CL7	C6	C5	H1	1.1°	0.0°
CL7	C6	C1	H3	1.1°	0.1°
H2	C2	C1	H3	0.1°	0.0°

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PDB entries from 2026-01-21

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