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Summary Geometry Related PDB entries

8BC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.52Å
O03	C02	doub	1.21Å	1.19Å
C02	N04	sing	1.35Å	1.45Å
N04	C05	sing	1.39Å	1.45Å
O13	C12	doub	1.21Å	1.26Å
O14	C12	sing	1.35Å	1.26Å
C12	C11	sing	1.47Å	1.53Å
C05	C11	doub	1.40Å	1.39Å	Aromatic
C05	C06	sing	1.39Å	1.39Å	Aromatic
C11	C09	sing	1.40Å	1.38Å	Aromatic
C06	C07	doub	1.38Å	1.39Å	Aromatic
C09	F10	sing	1.35Å	1.36Å
C09	C08	doub	1.38Å	1.39Å	Aromatic
C07	C08	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
N04	H4	sing	0.97Å	1.00Å
C06	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C08	H7	sing	1.08Å	1.08Å
O14	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	O03	119.7°	120.0°
C01	C02	N04	115.9°	120.0°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.5°	109.4°
O03	C02	N04	124.4°	120.0°
C02	N04	C05	126.1°	120.0°
C02	N04	H4	116.9°	120.1°
N04	C05	C11	117.1°	120.1°
N04	C05	C06	122.5°	120.2°
C05	N04	H4	116.9°	120.0°
O13	C12	O14	118.9°	120.0°
O13	C12	C11	120.3°	120.0°
O14	C12	C11	120.7°	120.0°
C12	O14	H8	109.5°	117.1°
C12	C11	C05	121.2°	120.2°
C12	C11	C09	119.1°	120.2°
C11	C05	C06	120.4°	119.7°
C05	C11	C09	119.7°	119.5°
C05	C06	C07	120.0°	120.1°
C05	C06	H5	120.0°	119.9°
C11	C09	F10	118.3°	120.1°
C11	C09	C08	120.2°	119.8°
C06	C07	C08	119.2°	120.5°
C07	C06	H5	120.0°	120.0°
C06	C07	H6	120.4°	119.8°
F10	C09	C08	121.5°	120.1°
C09	C08	C07	120.4°	120.3°
C09	C08	H7	119.8°	119.8°
C08	C07	H6	120.4°	119.8°
C07	C08	H7	119.8°	119.9°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	O03	N04	178.4°	179.9°
C01	C02	N04	C05	178.8°	175.5°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	119.9°
C01	C02	N04	H4	1.2°	4.5°
O03	C02	N04	C05	0.3°	4.5°
O03	C02	C01	H1	0.0°	90.0°
O03	C02	C01	H2	120.0°	30.1°
O03	C02	C01	H3	120.0°	150.0°
O03	C02	N04	H4	179.7°	175.5°
C02	N04	C05	H4	180.0°	180.0°
C02	N04	C05	C11	135.8°	145.5°
C02	N04	C05	C06	46.8°	34.7°
N04	C02	C01	H1	178.5°	89.9°
N04	C02	C01	H2	61.5°	150.0°
N04	C02	C01	H3	58.5°	30.1°
N04	C05	C11	C12	3.5°	0.1°
N04	C05	C11	C06	177.4°	179.8°
N04	C05	C11	C09	179.1°	179.7°
N04	C05	C06	C07	177.3°	180.0°
N04	C05	C06	H5	2.7°	0.1°
O13	C12	O14	C11	179.0°	179.9°
O13	C12	C11	C05	130.2°	90.0°
O13	C12	C11	C09	47.3°	89.7°
O13	C12	O14	H8	0.0°	0.0°
O14	C12	C11	C05	48.8°	90.0°
O14	C12	C11	C09	133.7°	90.3°
C12	C11	C05	C09	177.4°	179.7°
C12	C11	C05	C06	179.1°	179.7°
C12	C11	C09	F10	0.1°	0.0°
C12	C11	C09	C08	179.6°	179.7°
C11	C12	O14	H8	179.0°	180.0°
C11	C05	C06	C07	0.1°	0.2°
C05	C11	C09	F10	177.6°	179.7°
C05	C11	C09	C08	2.1°	0.6°
C11	C05	N04	H4	44.2°	34.5°
C11	C05	C06	H5	179.9°	179.7°
C06	C05	C11	C09	1.7°	0.6°
C05	C06	C07	H5	180.0°	179.9°
C05	C06	C07	C08	1.1°	0.1°
C06	C05	N04	H4	133.2°	145.3°
C05	C06	C07	H6	178.9°	180.0°
C11	C09	F10	C08	179.7°	179.7°
C11	C09	C08	C07	0.9°	0.3°
C11	C09	C08	H7	179.1°	179.7°
C06	C07	C08	C09	0.7°	0.0°
C06	C07	C08	H6	180.0°	180.0°
C06	C07	C08	H7	179.3°	179.9°
F10	C09	C08	C07	178.8°	180.0°
F10	C09	C08	H7	1.2°	0.1°
C09	C08	C07	H7	180.0°	179.9°
C09	C08	C07	H6	179.3°	180.0°
C08	C07	C06	H5	178.9°	180.0°
H1	C01	H2	H3	120.0°	120.0°
H5	C06	C07	H6	1.1°	0.0°
H6	C07	C08	H7	0.7°	0.0°

222415

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