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Summary Geometry Related PDB entries

6B1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL2	C12	sing	1.74Å	1.80Å
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	C02	sing	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.39Å	1.39Å	Aromatic
CL1	C02	sing	1.74Å	1.79Å
C02	C03	doub	1.38Å	1.39Å	Aromatic
C10	N09	sing	1.38Å	1.35Å	Aromatic
C10	C04	doub	1.40Å	1.39Å	Aromatic
N09	C06	sing	1.36Å	1.35Å	Aromatic
C03	C04	sing	1.40Å	1.39Å	Aromatic
C04	N05	sing	1.36Å	1.35Å	Aromatic
C06	N05	doub	1.30Å	1.35Å	Aromatic
C06	C07	sing	1.51Å	1.51Å
C07	O08	sing	1.43Å	1.43Å
C11	H1	sing	1.08Å	1.08Å
C03	H2	sing	1.08Å	1.08Å
N09	H3	sing	0.97Å	1.00Å
C07	H5	sing	1.09Å	1.10Å
C07	H6	sing	1.09Å	1.10Å
O08	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL2	C12	C11	119.8°	119.8°
CL2	C12	C02	120.3°	119.8°
C11	C12	C02	119.9°	120.4°
C12	C11	C10	119.5°	119.9°
C12	C11	H1	120.3°	120.1°
C12	C02	CL1	119.8°	119.8°
C12	C02	C03	120.7°	120.5°
C11	C10	N09	132.3°	134.0°
C11	C10	C04	120.2°	120.0°
C10	C11	H1	120.2°	120.1°
CL1	C02	C03	119.5°	119.7°
C02	C03	C04	119.1°	119.8°
C02	C03	H2	120.4°	120.1°
N09	C10	C04	107.5°	106.0°
C10	N09	C06	108.2°	107.3°
C10	N09	H3	125.9°	126.4°
C10	C04	C03	120.5°	119.5°
C10	C04	N05	107.2°	107.0°
N09	C06	N05	108.6°	110.1°
N09	C06	C07	126.4°	125.0°
C06	N09	H3	125.9°	126.4°
C03	C04	N05	132.3°	133.5°
C04	C03	H2	120.4°	120.2°
C04	N05	C06	108.5°	109.6°
N05	C06	C07	125.0°	124.9°
C06	C07	O08	107.8°	109.4°
C06	C07	H5	109.8°	109.5°
C06	C07	H6	109.9°	109.5°
O08	C07	H5	109.9°	109.5°
O08	C07	H6	109.9°	109.5°
C07	O08	H7	109.5°	114.0°
H5	C07	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL2	C12	C11	C02	179.9°	179.7°
CL2	C12	C11	C10	180.0°	179.7°
CL2	C12	C02	CL1	0.4°	0.3°
CL2	C12	C02	C03	179.9°	179.7°
CL2	C12	C11	H1	0.0°	0.3°
C12	C11	C10	H1	180.0°	180.0°
C11	C12	C02	CL1	179.8°	180.0°
C11	C12	C02	C03	0.1°	0.0°
C12	C11	C10	N09	179.9°	179.9°
C12	C11	C10	C04	0.1°	0.0°
C02	C12	C11	C10	0.2°	0.0°
C12	C02	CL1	C03	179.7°	180.0°
C12	C02	C03	C04	0.0°	0.0°
C02	C12	C11	H1	179.9°	180.0°
C12	C02	C03	H2	180.0°	180.0°
C11	C10	N09	C04	179.8°	179.9°
C11	C10	N09	C06	179.9°	179.9°
C11	C10	C04	C03	0.1°	0.0°
C11	C10	C04	N05	179.9°	180.0°
C11	C10	N09	H3	0.1°	0.1°
CL1	C02	C03	C04	179.7°	180.0°
CL1	C02	C03	H2	0.3°	0.0°
C02	C03	C04	C10	0.0°	0.0°
C02	C03	C04	H2	180.0°	180.0°
C02	C03	C04	N05	179.8°	180.0°
C10	N09	C06	H3	180.0°	179.9°
N09	C10	C04	C03	179.9°	179.9°
N09	C10	C04	N05	0.3°	0.0°
C10	N09	C06	N05	0.0°	0.0°
C10	N09	C06	C07	179.8°	179.9°
N09	C10	C11	H1	0.1°	0.1°
C04	C10	N09	C06	0.1°	0.0°
C10	C04	C03	N05	179.8°	180.0°
C10	C04	N05	C06	0.3°	0.0°
C04	C10	C11	H1	179.9°	180.0°
C10	C04	C03	H2	179.9°	180.0°
C04	C10	N09	H3	179.8°	180.0°
N09	C06	N05	C04	0.2°	0.0°
N09	C06	N05	C07	179.9°	179.9°
N09	C06	C07	O08	172.0°	0.0°
N09	C06	C07	H5	68.3°	120.0°
N09	C06	C07	H6	52.3°	120.0°
C03	C04	N05	C06	179.9°	179.9°
C04	N05	C06	C07	179.7°	180.0°
N05	C04	C03	H2	0.2°	0.1°
N05	C06	C07	O08	7.8°	179.9°
N05	C06	N09	H3	180.0°	179.9°
N05	C06	C07	H5	111.9°	60.1°
N05	C06	C07	H6	127.6°	59.9°
C06	C07	O08	H5	119.7°	120.0°
C06	C07	O08	H6	119.8°	120.0°
C07	C06	N09	H3	0.2°	0.0°
C06	C07	H5	H6	120.8°	120.0°
C06	C07	O08	H7	180.0°	180.0°
O08	C07	H5	H6	120.7°	120.0°
H5	C07	O08	H7	60.2°	60.0°
H6	C07	O08	H7	60.3°	60.0°

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