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Summary Geometry Related PDB entries

JBH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C04	N03	sing	1.37Å	1.35Å
C04	N05	doub	1.30Å	1.35Å
N03	C02	sing	1.47Å	1.34Å
N05	C06	sing	1.37Å	1.38Å
C02	O01	sing	1.43Å	1.39Å
C02	C11	sing	1.51Å	1.43Å
C06	C11	doub	1.40Å	1.37Å	Aromatic
C06	C07	sing	1.40Å	1.43Å	Aromatic
C11	C10	sing	1.38Å	1.42Å	Aromatic
C07	C08	doub	1.38Å	1.39Å	Aromatic
C10	C09	doub	1.38Å	1.40Å	Aromatic
C08	C09	sing	1.38Å	1.40Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
N03	H2	sing	0.97Å	1.00Å
C04	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
O01	H7	sing	0.97Å	0.95Å
C02	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N03	C04	N05	120.7°	120.5°
C04	N03	C02	121.6°	118.6°
C04	N03	H2	119.2°	120.7°
N03	C04	H3	119.7°	119.7°
C04	N05	C06	120.1°	121.1°
N05	C04	H3	119.6°	119.8°
N03	C02	O01	120.4°	109.8°
N03	C02	C11	118.8°	107.7°
C02	N03	H2	119.2°	120.7°
N03	C02	H8	90.1°	109.8°
N05	C06	C11	120.0°	120.0°
N05	C06	C07	120.0°	120.5°
O01	C02	C11	120.8°	109.8°
C02	O01	H7	109.5°	114.0°
O01	C02	H8	90.1°	109.8°
C02	C11	C06	118.8°	119.0°
C02	C11	C10	121.1°	120.8°
C11	C02	H8	90.0°	109.8°
C11	C06	C07	120.0°	119.5°
C06	C11	C10	120.1°	120.2°
C06	C07	C08	120.0°	119.8°
C06	C07	H4	120.0°	120.1°
C11	C10	C09	119.9°	119.9°
C11	C10	H1	120.1°	120.0°
C07	C08	C09	119.5°	120.3°
C08	C07	H4	120.0°	120.1°
C07	C08	H5	120.3°	119.9°
C10	C09	C08	120.6°	120.3°
C09	C10	H1	120.1°	120.0°
C10	C09	H6	119.7°	119.9°
C09	C08	H5	120.3°	119.8°
C08	C09	H6	119.7°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N03	C04	N05	H3	180.0°	180.0°
C04	N03	C02	H2	180.0°	180.0°
N03	C04	N05	C06	0.5°	0.1°
C04	N03	C02	O01	179.6°	78.3°
C04	N03	C02	C11	0.2°	41.3°
C04	N03	C02	H8	90.3°	160.9°
N05	C04	N03	C02	0.2°	30.8°
C04	N05	C06	C11	0.5°	15.3°
C04	N05	C06	C07	179.4°	164.6°
N05	C04	N03	H2	179.9°	149.2°
N03	C02	O01	C11	179.8°	118.3°
N03	C02	O01	H8	90.1°	120.8°
N03	C02	C11	H8	90.1°	119.6°
N03	C02	C11	C06	0.3°	26.1°
N03	C02	C11	C10	179.9°	154.0°
C02	N03	C04	H3	179.9°	149.2°
N03	C02	O01	H7	180.0°	61.7°
N05	C06	C11	C02	0.1°	0.1°
N05	C06	C11	C07	179.9°	180.0°
N05	C06	C11	C10	179.8°	179.9°
N05	C06	C07	C08	179.8°	179.7°
C06	N05	C04	H3	179.5°	179.9°
N05	C06	C07	H4	0.2°	0.1°
O01	C02	C11	H8	90.1°	120.9°
O01	C02	C11	C06	179.5°	93.5°
O01	C02	C11	C10	0.3°	86.5°
O01	C02	N03	H2	0.5°	101.8°
C02	C11	C06	C10	179.9°	180.0°
C02	C11	C06	C07	179.8°	179.9°
C02	C11	C10	C09	179.9°	179.9°
C02	C11	C10	H1	0.1°	0.4°
C11	C02	N03	H2	179.7°	138.7°
C11	C02	O01	H7	0.3°	180.0°
C11	C06	C07	C08	0.3°	0.3°
C06	C11	C10	C09	0.2°	0.0°
C06	C11	C10	H1	179.8°	179.7°
C11	C06	C07	H4	179.7°	180.0°
C06	C11	C02	H8	90.3°	145.6°
C07	C06	C11	C10	0.3°	0.0°
C06	C07	C08	H4	180.0°	179.7°
C06	C07	C08	C09	0.2°	0.6°
C06	C07	C08	H5	179.8°	179.9°
C11	C10	C09	H1	180.0°	179.7°
C11	C10	C09	C08	0.1°	0.3°
C11	C10	C09	H6	179.9°	179.7°
C10	C11	C02	H8	89.8°	34.4°
C07	C08	C09	C10	0.1°	0.6°
C07	C08	C09	H5	180.0°	179.3°
C07	C08	C09	H6	179.9°	179.4°
C10	C09	C08	H6	180.0°	180.0°
C10	C09	C08	H5	179.9°	180.0°
C08	C09	C10	H1	179.9°	180.0°
C09	C08	C07	H4	179.8°	179.7°
H1	C10	C09	H6	0.1°	0.0°
H2	N03	C04	H3	0.1°	30.8°
H2	N03	C02	H8	89.7°	19.1°
H4	C07	C08	H5	0.2°	0.4°
H5	C08	C09	H6	0.1°	0.0°
H7	O01	C02	H8	89.9°	59.1°

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