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Summary Geometry Related PDB entries

HS0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N05	C04	sing	1.39Å	1.44Å
C04	C03	doub	1.38Å	1.38Å	Aromatic
C04	C06	sing	1.41Å	1.42Å	Aromatic
C03	C02	sing	1.39Å	1.39Å	Aromatic
C07	C06	sing	1.41Å	1.40Å	Aromatic
C07	N08	doub	1.30Å	1.33Å	Aromatic
C06	C10	doub	1.41Å	1.37Å	Aromatic
C02	BR1	sing	1.89Å	1.90Å
C02	C11	doub	1.38Å	1.38Å	Aromatic
N08	N09	sing	1.40Å	1.37Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
C10	N09	sing	1.37Å	1.34Å	Aromatic
C03	H1	sing	1.08Å	1.08Å
N05	H2	sing	0.97Å	1.00Å
N05	H3	sing	0.97Å	1.00Å
C07	H4	sing	1.08Å	1.08Å
N09	H5	sing	0.97Å	1.00Å
C11	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N05	C04	C03	117.4°	120.2°
N05	C04	C06	123.8°	120.1°
C04	N05	H2	109.5°	120.0°
C04	N05	H3	109.5°	120.0°
C03	C04	C06	118.9°	119.6°
C04	C03	C02	118.2°	120.4°
C04	C03	H1	120.9°	119.8°
C04	C06	C07	132.9°	133.6°
C04	C06	C10	122.4°	119.5°
C03	C02	BR1	121.8°	119.7°
C03	C02	C11	123.5°	120.7°
C02	C03	H1	120.9°	119.8°
C06	C07	N08	108.1°	108.7°
C07	C06	C10	104.8°	106.9°
C06	C07	H4	126.0°	125.6°
C07	N08	N09	110.0°	109.7°
N08	C07	H4	126.0°	125.7°
C06	C10	C11	118.8°	119.8°
C06	C10	N09	110.7°	106.6°
BR1	C02	C11	114.6°	119.7°
C02	C11	C10	118.3°	120.0°
C02	C11	H6	120.9°	120.0°
N08	N09	C10	106.5°	108.1°
N08	N09	H5	126.8°	125.9°
C11	C10	N09	130.4°	133.6°
C10	C11	H6	120.9°	120.0°
C10	N09	H5	126.7°	126.0°
H2	N05	H3	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N05	C04	C03	C06	179.8°	179.3°
N05	C04	C03	C02	179.5°	180.0°
N05	C04	C06	C07	1.3°	0.2°
N05	C04	C06	C10	179.6°	179.7°
N05	C04	C03	H1	0.5°	0.5°
C04	N05	H2	H3	120.0°	179.9°
C04	C03	C02	H1	180.0°	179.5°
C03	C04	C06	C07	178.5°	179.5°
C03	C04	C06	C10	0.2°	0.4°
C04	C03	C02	BR1	178.8°	179.5°
C04	C03	C02	C11	0.6°	0.5°
C03	C04	N05	H2	180.0°	0.1°
C03	C04	N05	H3	60.0°	180.0°
C06	C04	C03	C02	0.3°	0.7°
C04	C06	C07	C10	178.5°	179.9°
C04	C06	C07	N08	178.7°	179.9°
C04	C06	C10	C11	0.3°	0.1°
C04	C06	C10	N09	179.0°	179.9°
C06	C04	C03	H1	179.7°	179.8°
C06	C04	N05	H2	0.2°	179.2°
C06	C04	N05	H3	119.8°	0.6°
C04	C06	C07	H4	1.3°	0.0°
C03	C02	BR1	C11	178.4°	180.0°
C03	C02	C11	C10	0.7°	0.0°
C03	C02	C11	H6	179.3°	180.0°
C06	C07	N08	H4	180.0°	180.0°
C06	C07	N08	N09	0.0°	0.2°
C07	C06	C10	C11	179.0°	180.0°
C07	C06	C10	N09	0.3°	0.2°
N08	C07	C06	C10	0.2°	0.0°
C07	N08	N09	C10	0.2°	0.3°
C07	N08	N09	H5	179.8°	179.7°
C06	C10	C11	C02	0.5°	0.3°
C06	C10	N09	N08	0.3°	0.3°
C06	C10	C11	N09	179.2°	179.7°
C10	C06	C07	H4	179.8°	180.0°
C06	C10	N09	H5	179.7°	179.7°
C06	C10	C11	H6	179.5°	179.7°
BR1	C02	C11	C10	179.0°	180.0°
BR1	C02	C03	H1	1.2°	0.1°
BR1	C02	C11	H6	0.9°	0.0°
C02	C11	C10	H6	180.0°	180.0°
C02	C11	C10	N09	178.7°	180.0°
C11	C02	C03	H1	179.5°	180.0°
N08	N09	C10	C11	178.9°	180.0°
N08	N09	C10	H5	180.0°	180.0°
N09	N08	C07	H4	180.0°	179.9°
C11	C10	N09	H5	1.1°	0.0°
N09	C10	C11	H6	1.4°	0.1°

246704

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