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Summary Geometry Related PDB entries

A1LXN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C02	sing	1.51Å	1.53Å
C02	N03	doub	1.30Å	1.33Å	Aromatic
C02	N01	sing	1.36Å	1.33Å	Aromatic
N03	C11	sing	1.36Å	1.37Å	Aromatic
N01	C04	sing	1.37Å	1.37Å	Aromatic
C11	C09	sing	1.41Å	1.43Å
C11	C04	doub	1.40Å	1.38Å	Aromatic
O10	C09	doub	1.22Å	1.20Å
C09	N08	sing	1.35Å	1.33Å
C04	N05	sing	1.34Å	1.37Å
N08	C06	sing	1.36Å	1.33Å
N05	C06	doub	1.31Å	1.32Å
C06	N07	sing	1.37Å	1.44Å
C12	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
N01	H4	sing	0.97Å	1.00Å
N07	H6	sing	0.97Å	1.00Å
N07	H7	sing	0.97Å	1.00Å
N08	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C02	N03	126.1°	125.1°
C12	C02	N01	124.8°	125.1°
C02	C12	H1	109.5°	109.5°
C02	C12	H2	109.5°	109.5°
C02	C12	H3	109.5°	109.4°
N03	C02	N01	109.1°	109.8°
C02	N03	C11	108.9°	109.4°
C02	N01	C04	108.7°	107.4°
C02	N01	H4	125.7°	126.3°
N03	C11	C09	136.2°	134.2°
N03	C11	C04	106.6°	107.2°
N01	C04	C11	106.8°	106.2°
N01	C04	N05	133.2°	134.2°
C04	N01	H4	125.7°	126.3°
C09	C11	C04	117.2°	118.6°
C11	C09	O10	121.2°	120.8°
C11	C09	N08	119.2°	118.3°
C11	C04	N05	120.0°	119.7°
O10	C09	N08	119.6°	120.8°
C09	N08	C06	121.2°	120.3°
C09	N08	H8	119.4°	119.8°
C04	N05	C06	120.3°	121.2°
N08	C06	N05	122.1°	121.9°
N08	C06	N07	119.0°	119.0°
C06	N08	H8	119.4°	119.9°
N05	C06	N07	118.8°	119.1°
C06	N07	H6	120.0°	120.0°
C06	N07	H7	120.0°	120.0°
H1	C12	H2	109.4°	109.5°
H1	C12	H3	109.5°	109.5°
H2	C12	H3	109.5°	109.5°
H6	N07	H7	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C02	N03	N01	180.0°	179.7°
C12	C02	N03	C11	179.8°	179.8°
C12	C02	N01	C04	179.8°	179.8°
C02	C12	H1	H2	120.0°	120.0°
C02	C12	H1	H3	120.0°	119.9°
C02	C12	H2	H3	120.0°	119.9°
C12	C02	N01	H4	0.2°	0.4°
N03	C02	N01	C04	0.2°	0.1°
C02	N03	C11	C09	179.5°	180.0°
C02	N03	C11	C04	0.5°	0.0°
N03	C02	C12	H1	0.0°	89.9°
N03	C02	C12	H2	120.0°	150.0°
N03	C02	C12	H3	120.0°	30.1°
N03	C02	N01	H4	179.9°	180.0°
N01	C02	N03	C11	0.2°	0.1°
C02	N01	C04	H4	180.0°	179.9°
C02	N01	C04	C11	0.4°	0.0°
C02	N01	C04	N05	179.9°	180.0°
N01	C02	C12	H1	180.0°	89.7°
N01	C02	C12	H2	60.0°	30.4°
N01	C02	C12	H3	60.0°	150.3°
N03	C11	C04	N01	0.5°	0.0°
N03	C11	C09	C04	180.0°	179.9°
N03	C11	C09	O10	0.7°	0.1°
N03	C11	C09	N08	179.7°	179.9°
N03	C11	C04	N05	179.9°	180.0°
N01	C04	C11	C09	179.4°	180.0°
N01	C04	C11	N05	179.6°	180.0°
N01	C04	N05	C06	179.6°	180.0°
C11	C09	O10	N08	179.6°	180.0°
C09	C11	C04	N05	0.1°	0.0°
C11	C09	N08	C06	0.2°	0.1°
C11	C09	N08	H8	179.8°	180.0°
C04	C11	C09	O10	179.3°	180.0°
C04	C11	C09	N08	0.3°	0.0°
C11	C04	N05	C06	0.2°	0.1°
C11	C04	N01	H4	179.6°	179.9°
O10	C09	N08	C06	179.4°	180.0°
O10	C09	N08	H8	0.6°	0.0°
C09	N08	C06	H8	180.0°	179.9°
C09	N08	C06	N05	0.1°	0.1°
C09	N08	C06	N07	179.9°	180.0°
C04	N05	C06	N08	0.4°	0.1°
C04	N05	C06	N07	179.9°	180.0°
N05	C04	N01	H4	0.1°	0.1°
N08	C06	N05	N07	179.7°	179.9°
N08	C06	N07	H6	179.7°	180.0°
N08	C06	N07	H7	0.3°	0.1°
N05	C06	N07	H6	0.0°	0.0°
N05	C06	N07	H7	180.0°	180.0°
N05	C06	N08	H8	179.9°	180.0°
C06	N07	H6	H7	180.0°	180.0°
N07	C06	N08	H8	0.1°	0.1°
H1	C12	H2	H3	120.0°	120.1°

248335

PDB entries from 2026-01-28

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