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Summary Geometry Related PDB entries

2JM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR8	C5	sing	1.89Å	1.89Å
O2	C4	sing	1.36Å	1.35Å
C5	C4	doub	1.39Å	1.35Å	Aromatic
C5	C6	sing	1.38Å	1.35Å	Aromatic
C4	C3	sing	1.40Å	1.39Å	Aromatic
C6	C1	doub	1.38Å	1.38Å	Aromatic
C3	C10	sing	1.48Å	1.48Å
C3	C2	doub	1.40Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.36Å	Aromatic
N14	C10	sing	1.37Å	1.37Å	Aromatic
N14	C13	sing	1.37Å	1.35Å	Aromatic
C10	C11	doub	1.36Å	1.38Å	Aromatic
BR1	C13	sing	1.89Å	2.01Å
C13	C12	doub	1.35Å	1.36Å	Aromatic
C11	C12	sing	1.40Å	1.38Å	Aromatic
C11	BR3	sing	1.89Å	1.99Å
C12	BR2	sing	1.89Å	1.99Å
C6	H1	sing	1.08Å	1.08Å
N14	H2	sing	0.97Å	1.00Å
C2	H3	sing	1.08Å	1.08Å
O2	H4	sing	0.97Å	0.95Å
C1	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR8	C5	C4	114.7°	120.0°
BR8	C5	C6	125.7°	120.0°
O2	C4	C5	113.7°	120.1°
O2	C4	C3	125.4°	120.1°
C4	O2	H4	109.5°	114.0°
C4	C5	C6	119.6°	120.0°
C5	C4	C3	120.8°	119.8°
C5	C6	C1	120.3°	120.3°
C5	C6	H1	119.8°	119.8°
C4	C3	C10	117.1°	120.2°
C4	C3	C2	119.8°	119.7°
C6	C1	C2	121.2°	120.3°
C1	C6	H1	119.8°	119.9°
C6	C1	H5	119.4°	119.9°
C10	C3	C2	123.0°	120.1°
C3	C10	N14	120.9°	126.1°
C3	C10	C11	132.1°	126.0°
C3	C2	C1	118.2°	119.9°
C3	C2	H3	120.9°	120.0°
C1	C2	H3	120.9°	120.1°
C2	C1	H5	119.4°	119.8°
C10	N14	C13	108.3°	108.6°
N14	C10	C11	107.0°	107.9°
C10	N14	H2	125.8°	125.7°
N14	C13	BR1	123.2°	125.8°
N14	C13	C12	109.8°	108.4°
C13	N14	H2	125.9°	125.7°
C10	C11	C12	108.5°	107.4°
C10	C11	BR3	122.9°	126.3°
BR1	C13	C12	127.0°	125.8°
C13	C12	C11	106.3°	107.7°
C13	C12	BR2	124.1°	126.1°
C12	C11	BR3	128.6°	126.3°
C11	C12	BR2	129.6°	126.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR8	C5	C4	O2	0.5°	0.3°
BR8	C5	C4	C6	179.1°	179.9°
BR8	C5	C4	C3	176.9°	180.0°
BR8	C5	C6	C1	177.5°	180.0°
BR8	C5	C6	H1	2.5°	0.1°
O2	C4	C5	C3	177.4°	179.7°
O2	C4	C5	C6	179.6°	179.7°
O2	C4	C3	C10	4.8°	0.3°
O2	C4	C3	C2	179.1°	179.7°
C4	C5	C6	C1	1.5°	0.0°
C5	C4	C3	C10	178.1°	180.0°
C5	C4	C3	C2	2.0°	0.0°
C4	C5	C6	H1	178.5°	180.0°
C5	C4	O2	H4	180.0°	89.7°
C6	C5	C4	C3	2.1°	0.0°
C5	C6	C1	H1	180.0°	180.0°
C5	C6	C1	C2	0.7°	0.0°
C5	C6	C1	H5	179.3°	180.0°
C4	C3	C10	C2	176.0°	180.0°
C4	C3	C2	C1	1.1°	0.1°
C4	C3	C10	N14	52.8°	115.3°
C4	C3	C10	C11	128.0°	65.0°
C4	C3	C2	H3	178.9°	180.0°
C3	C4	O2	H4	2.7°	90.0°
C6	C1	C2	C3	0.5°	0.1°
C6	C1	C2	H5	180.0°	180.0°
C6	C1	C2	H3	179.5°	180.0°
C10	C3	C2	C1	177.0°	180.0°
C3	C10	N14	C11	179.4°	179.8°
C3	C10	N14	C13	179.3°	179.8°
C3	C10	C11	C12	179.8°	179.7°
C3	C10	C11	BR3	0.9°	0.2°
C3	C10	N14	H2	0.8°	0.2°
C10	C3	C2	H3	3.0°	0.0°
C3	C2	C1	H3	180.0°	180.0°
C2	C3	C10	N14	123.2°	64.7°
C2	C3	C10	C11	56.0°	115.0°
C3	C2	C1	H5	179.5°	180.0°
C2	C1	C6	H1	179.3°	180.0°
C10	N14	C13	H2	180.0°	179.9°
C10	N14	C13	BR1	178.7°	180.0°
C10	N14	C13	C12	1.7°	0.0°
N14	C10	C11	C12	0.5°	0.1°
N14	C10	C11	BR3	179.8°	180.0°
C13	N14	C10	C11	1.4°	0.0°
N14	C13	BR1	C12	179.5°	180.0°
N14	C13	C12	C11	1.4°	0.0°
N14	C13	C12	BR2	179.7°	180.0°
C10	C11	C12	C13	0.5°	0.1°
C10	C11	C12	BR3	179.3°	180.0°
C10	C11	C12	BR2	178.7°	180.0°
C11	C10	N14	H2	178.6°	180.0°
BR1	C13	C12	C11	179.0°	180.0°
BR1	C13	C12	BR2	0.7°	0.0°
BR1	C13	N14	H2	1.4°	0.0°
C13	C12	C11	BR2	178.2°	179.9°
C13	C12	C11	BR3	178.8°	180.0°
C12	C13	N14	H2	178.2°	179.9°
BR3	C11	C12	BR2	0.5°	0.0°
H1	C6	C1	H5	0.7°	0.0°
H3	C2	C1	H5	0.6°	0.0°

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PDB entries from 2024-10-09

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