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Summary Geometry Related PDB entries

F3E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N03	C04	doub	1.32Å	1.33Å	Aromatic
N03	C02	sing	1.33Å	1.32Å	Aromatic
C04	C05	sing	1.38Å	1.39Å	Aromatic
N01	C02	sing	1.38Å	1.44Å
C02	N13	doub	1.32Å	1.32Å	Aromatic
C05	C06	doub	1.40Å	1.39Å	Aromatic
N13	C06	sing	1.33Å	1.33Å	Aromatic
C06	C07	sing	1.48Å	1.39Å
C07	C08	doub	1.39Å	1.39Å	Aromatic
C07	C12	sing	1.39Å	1.39Å	Aromatic
C08	C09	sing	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C09	C10	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C04	H2	sing	1.08Å	1.08Å
C05	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
N01	H8	sing	0.97Å	1.00Å
N01	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C04	N03	C02	121.4°	120.9°
N03	C04	C05	116.9°	119.3°
N03	C04	H2	121.6°	120.3°
N03	C02	N01	117.9°	119.1°
N03	C02	N13	123.4°	121.7°
C04	C05	C06	120.0°	118.5°
C05	C04	H2	121.6°	120.4°
C04	C05	H3	120.0°	120.7°
N01	C02	N13	118.7°	119.2°
C02	N01	H8	109.5°	120.0°
C02	N01	H9	109.4°	120.0°
C02	N13	C06	118.6°	120.6°
C05	C06	N13	119.8°	119.0°
C05	C06	C07	119.7°	120.5°
C06	C05	H3	120.0°	120.8°
N13	C06	C07	120.5°	120.5°
C06	C07	C08	121.2°	120.2°
C06	C07	C12	119.0°	120.1°
C08	C07	C12	119.7°	119.7°
C07	C08	C09	120.2°	119.9°
C07	C08	H4	119.9°	120.0°
C07	C12	C11	120.4°	119.9°
C07	C12	H7	119.8°	120.1°
C08	C09	C10	120.0°	120.1°
C09	C08	H4	119.9°	120.1°
C08	C09	H5	120.0°	120.0°
C12	C11	C10	119.7°	120.1°
C12	C11	H6	120.2°	120.0°
C11	C12	H7	119.8°	120.0°
C09	C10	C11	120.1°	120.2°
C09	C10	H1	119.9°	119.9°
C10	C09	H5	120.0°	119.9°
C11	C10	H1	119.9°	119.9°
C10	C11	H6	120.2°	119.9°
H8	N01	H9	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N03	C04	C05	H2	180.0°	179.7°
C04	N03	C02	N01	179.7°	179.8°
C04	N03	C02	N13	1.4°	0.1°
N03	C04	C05	C06	0.2°	0.3°
N03	C04	C05	H3	179.8°	179.7°
C02	N03	C04	C05	0.5°	0.1°
N03	C02	N01	N13	178.3°	179.7°
N03	C02	N13	C06	1.5°	0.4°
C02	N03	C04	H2	179.5°	179.8°
N03	C02	N01	H8	0.0°	179.6°
N03	C02	N01	H9	120.0°	0.3°
C04	C05	C06	H3	180.0°	180.0°
C04	C05	C06	N13	0.1°	0.6°
C04	C05	C06	C07	177.9°	180.0°
N01	C02	N13	C06	179.8°	180.0°
C02	N01	H8	H9	120.0°	179.9°
C02	N13	C06	C05	0.8°	0.6°
C02	N13	C06	C07	178.8°	180.0°
N13	C02	N01	H8	178.3°	0.0°
N13	C02	N01	H9	61.7°	180.0°
C05	C06	N13	C07	178.0°	179.4°
C05	C06	C07	C08	32.9°	180.0°
C05	C06	C07	C12	144.0°	0.2°
C06	C05	C04	H2	179.8°	180.0°
N13	C06	C07	C08	149.1°	0.6°
N13	C06	C07	C12	34.0°	179.2°
N13	C06	C05	H3	180.0°	179.5°
C06	C07	C08	C12	176.8°	179.8°
C06	C07	C08	C09	178.7°	180.0°
C06	C07	C12	C11	178.6°	180.0°
C07	C06	C05	H3	2.0°	0.1°
C06	C07	C08	H4	1.3°	0.0°
C06	C07	C12	H7	1.5°	0.2°
C07	C08	C09	H4	180.0°	179.9°
C08	C07	C12	C11	1.7°	0.2°
C07	C08	C09	C10	1.0°	0.0°
C07	C08	C09	H5	179.0°	180.0°
C08	C07	C12	H7	178.4°	180.0°
C12	C07	C08	C09	1.8°	0.2°
C07	C12	C11	H7	180.0°	179.9°
C07	C12	C11	C10	0.7°	0.1°
C12	C07	C08	H4	178.2°	179.8°
C07	C12	C11	H6	179.3°	180.0°
C08	C09	C10	H5	180.0°	179.9°
C08	C09	C10	C11	0.1°	0.3°
C08	C09	C10	H1	179.9°	180.0°
C12	C11	C10	C09	0.1°	0.3°
C12	C11	C10	H6	180.0°	179.9°
C12	C11	C10	H1	179.9°	180.0°
C09	C10	C11	H1	180.0°	179.7°
C10	C09	C08	H4	179.0°	180.0°
C09	C10	C11	H6	179.9°	179.8°
C11	C10	C09	H5	179.9°	179.8°
C10	C11	C12	H7	179.3°	179.8°
H1	C10	C09	H5	0.1°	0.1°
H1	C10	C11	H6	0.0°	0.0°
H2	C04	C05	H3	0.2°	0.0°
H4	C08	C09	H5	1.1°	0.1°
H6	C11	C12	H7	0.7°	0.1°

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