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Summary Geometry Related PDB entries

A1CQI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C04	C03	doub	1.36Å	1.40Å
C04	C05	sing	1.46Å	1.43Å
C03	C02	sing	1.41Å	1.40Å
C06	C05	doub	1.40Å	1.43Å	Aromatic
C06	C07	sing	1.37Å	1.39Å	Aromatic
C05	C11	sing	1.41Å	1.37Å	Aromatic
C02	O01	doub	1.22Å	1.40Å
C02	N12	sing	1.34Å	1.33Å
C07	C08	doub	1.39Å	1.40Å	Aromatic
C11	N12	sing	1.38Å	1.37Å
C11	C10	doub	1.39Å	1.43Å	Aromatic
C08	C10	sing	1.38Å	1.39Å	Aromatic
C08	CL09	sing	1.74Å	1.78Å
C10	H1	sing	1.08Å	1.08Å
N12	H2	sing	0.97Å	1.00Å
C03	H3	sing	1.08Å	1.08Å
C04	H4	sing	1.08Å	1.08Å
C06	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C03	C04	C05	117.4°	118.5°
C04	C03	C02	120.1°	120.3°
C04	C03	H3	119.9°	119.9°
C03	C04	H4	121.3°	120.7°
C04	C05	C06	120.5°	121.1°
C04	C05	C11	119.7°	119.0°
C05	C04	H4	121.3°	120.8°
C03	C02	O01	119.5°	119.2°
C03	C02	N12	120.7°	121.6°
C02	C03	H3	120.0°	119.8°
C05	C06	C07	120.2°	119.7°
C06	C05	C11	119.8°	119.9°
C05	C06	H5	119.9°	120.2°
C06	C07	C08	119.7°	120.6°
C07	C06	H5	119.9°	120.2°
C06	C07	H6	120.1°	119.6°
C05	C11	N12	120.9°	119.6°
C05	C11	C10	120.1°	119.4°
O01	C02	N12	119.8°	119.2°
C02	N12	C11	121.2°	121.0°
C02	N12	H2	119.4°	119.5°
C07	C08	C10	120.5°	120.6°
C07	C08	CL09	119.7°	119.7°
C08	C07	H6	120.2°	119.8°
N12	C11	C10	119.0°	121.0°
C11	N12	H2	119.4°	119.5°
C11	C10	C08	119.7°	119.8°
C11	C10	H1	120.2°	120.2°
C10	C08	CL09	119.8°	119.7°
C08	C10	H1	120.1°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C03	C04	C05	H4	180.0°	180.0°
C04	C03	C02	H3	180.0°	180.0°
C03	C04	C05	C06	180.0°	180.0°
C03	C04	C05	C11	0.1°	0.0°
C04	C03	C02	O01	179.9°	180.0°
C04	C03	C02	N12	0.1°	0.0°
C05	C04	C03	C02	0.0°	0.0°
C04	C05	C06	C11	179.9°	180.0°
C04	C05	C06	C07	179.9°	179.8°
C04	C05	C11	N12	0.2°	0.0°
C04	C05	C11	C10	180.0°	179.9°
C05	C04	C03	H3	180.0°	180.0°
C04	C05	C06	H5	0.1°	0.0°
C03	C02	O01	N12	180.0°	180.0°
C03	C02	N12	C11	0.2°	0.0°
C03	C02	N12	H2	179.8°	180.0°
C02	C03	C04	H4	180.0°	180.0°
C05	C06	C07	H5	180.0°	179.8°
C05	C06	C07	C08	0.1°	0.2°
C06	C05	C11	N12	179.9°	180.0°
C06	C05	C11	C10	0.1°	0.0°
C06	C05	C04	H4	0.0°	0.0°
C05	C06	C07	H6	179.9°	180.0°
C07	C06	C05	C11	0.0°	0.2°
C06	C07	C08	H6	180.0°	179.9°
C06	C07	C08	C10	0.2°	0.0°
C06	C07	C08	CL09	179.9°	180.0°
C05	C11	N12	C02	0.2°	0.0°
C05	C11	N12	C10	179.9°	180.0°
C05	C11	C10	C08	0.0°	0.3°
C05	C11	C10	H1	180.0°	180.0°
C05	C11	N12	H2	179.8°	180.0°
C11	C05	C04	H4	179.9°	180.0°
C11	C05	C06	H5	180.0°	180.0°
O01	C02	N12	C11	179.8°	180.0°
O01	C02	N12	H2	0.2°	0.0°
O01	C02	C03	H3	0.1°	0.0°
C02	N12	C11	H2	180.0°	180.0°
C02	N12	C11	C10	179.9°	180.0°
N12	C02	C03	H3	179.9°	180.0°
C07	C08	C10	C11	0.1°	0.3°
C07	C08	C10	CL09	179.9°	180.0°
C07	C08	C10	H1	179.9°	180.0°
C08	C07	C06	H5	179.9°	180.0°
N12	C11	C10	C08	179.9°	179.8°
N12	C11	C10	H1	0.2°	0.1°
C11	C10	C08	H1	180.0°	179.7°
C11	C10	C08	CL09	180.0°	179.7°
C10	C11	N12	H2	0.1°	0.0°
C10	C08	C07	H6	179.8°	179.8°
CL09	C08	C10	H1	0.0°	0.1°
CL09	C08	C07	H6	0.1°	0.2°
H3	C03	C04	H4	0.0°	0.0°
H5	C06	C07	H6	0.1°	0.2°

254227

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