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Summary Geometry Related PDB entries

A1D73

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	N10	sing	1.35Å	0.00Å	Aromatic
C09	C08	doub	1.35Å	0.00Å	Aromatic
BR12	C08	sing	1.89Å	0.00Å
N10	N11	sing	1.40Å	0.00Å	Aromatic
C08	C07	sing	1.41Å	0.00Å	Aromatic
N11	C07	doub	1.32Å	0.00Å	Aromatic
C07	C06	sing	1.48Å	0.00Å
C05	C06	doub	1.40Å	0.00Å	Aromatic
C05	C04	sing	1.38Å	0.00Å	Aromatic
C06	C01	sing	1.40Å	0.00Å	Aromatic
C04	N03	doub	1.32Å	0.00Å	Aromatic
C01	C02	doub	1.38Å	0.00Å	Aromatic
N03	C02	sing	1.32Å	0.00Å	Aromatic
C01	H1	sing	1.08Å	0.00Å
C02	H2	sing	1.08Å	0.00Å
C04	H3	sing	1.08Å	0.00Å
C05	H4	sing	1.08Å	0.00Å
C09	H5	sing	1.08Å	0.00Å
N10	H6	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N10	C09	C08	90.0°	108.0°
C09	N10	N11	90.0°	108.1°
N10	C09	H5	90.0°	126.0°
C09	N10	H6	90.0°	125.9°
C09	C08	BR12	90.0°	126.1°
C09	C08	C07	90.0°	107.8°
C08	C09	H5	90.0°	126.0°
BR12	C08	C07	90.0°	126.1°
N10	N11	C07	90.0°	108.1°
N11	N10	H6	90.0°	126.0°
C08	C07	N11	90.0°	108.0°
C08	C07	C06	90.0°	126.0°
N11	C07	C06	90.0°	126.0°
C07	C06	C05	90.0°	120.9°
C07	C06	C01	90.0°	120.9°
C06	C05	C04	90.0°	119.0°
C05	C06	C01	90.0°	118.2°
C06	C05	H4	90.0°	120.5°
C05	C04	N03	90.0°	120.8°
C05	C04	H3	90.0°	119.6°
C04	C05	H4	90.0°	120.4°
C06	C01	C02	90.0°	119.0°
C06	C01	H1	90.0°	120.5°
C04	N03	C02	90.0°	122.0°
N03	C04	H3	90.0°	119.6°
C01	C02	N03	90.0°	120.9°
C02	C01	H1	90.0°	120.4°
C01	C02	H2	90.0°	119.6°
N03	C02	H2	90.0°	119.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N10	C09	C08	H5	90.0°	179.9°
N10	C09	C08	BR12	90.0°	180.0°
C09	N10	N11	H6	90.0°	179.8°
N10	C09	C08	C07	90.0°	0.0°
C09	N10	N11	C07	90.0°	0.3°
C09	C08	BR12	C07	90.0°	179.9°
C08	C09	N10	N11	90.0°	0.2°
C09	C08	C07	N11	90.0°	0.2°
C09	C08	C07	C06	90.0°	180.0°
C08	C09	N10	H6	90.0°	180.0°
BR12	C08	C07	N11	90.0°	179.8°
BR12	C08	C07	C06	90.0°	0.1°
BR12	C08	C09	H5	90.0°	0.1°
N10	N11	C07	C08	90.0°	0.3°
N10	N11	C07	C06	90.0°	179.9°
N11	N10	C09	H5	90.0°	179.9°
C08	C07	N11	C06	90.0°	179.7°
C08	C07	C06	C05	90.0°	145.0°
C08	C07	C06	C01	90.0°	35.0°
C07	C08	C09	H5	90.0°	179.9°
N11	C07	C06	C05	90.0°	35.3°
N11	C07	C06	C01	90.0°	144.7°
C07	N11	N10	H6	90.0°	179.8°
C07	C06	C05	C01	90.0°	179.9°
C07	C06	C05	C04	90.0°	179.5°
C07	C06	C01	C02	90.0°	180.0°
C07	C06	C01	H1	90.0°	0.2°
C07	C06	C05	H4	90.0°	0.0°
C06	C05	C04	H4	90.0°	179.5°
C06	C05	C04	N03	90.0°	0.8°
C05	C06	C01	C02	90.0°	0.0°
C05	C06	C01	H1	90.0°	179.8°
C06	C05	C04	H3	90.0°	179.7°
C04	C05	C06	C01	90.0°	0.5°
C05	C04	N03	H3	90.0°	179.4°
C05	C04	N03	C02	90.0°	0.6°
C06	C01	C02	H1	90.0°	179.8°
C06	C01	C02	N03	90.0°	0.2°
C06	C01	C02	H2	90.0°	179.8°
C01	C06	C05	H4	90.0°	180.0°
C04	N03	C02	C01	90.0°	0.1°
C04	N03	C02	H2	90.0°	179.9°
N03	C04	C05	H4	90.0°	179.7°
C01	C02	N03	H2	90.0°	180.0°
N03	C02	C01	H1	90.0°	180.0°
C02	N03	C04	H3	90.0°	180.0°
H1	C01	C02	H2	90.0°	0.0°
H3	C04	C05	H4	90.0°	0.2°
H5	C09	N10	H6	90.0°	0.1°

250059

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