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Summary Geometry Related PDB entries

CXH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C02	sing	1.74Å	1.74Å
CL2	C12	sing	1.74Å	1.71Å
C02	C12	doub	1.38Å	1.42Å	Aromatic
C02	C03	sing	1.38Å	1.40Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C03	C04	doub	1.39Å	1.40Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C04	C10	sing	1.39Å	1.44Å	Aromatic
C04	N05	sing	1.40Å	1.38Å
N05	C06	sing	1.35Å	1.39Å
O09	C06	doub	1.21Å	1.25Å
C06	C07	sing	1.51Å	1.50Å
C07	S08	sing	1.81Å	1.85Å
C10	H1	sing	1.08Å	1.08Å
C03	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.09Å	1.10Å
C07	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.08Å	1.08Å
N05	H6	sing	0.97Å	1.00Å
S08	H7	sing	1.34Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C02	C12	120.9°	120.0°
CL1	C02	C03	118.0°	120.0°
CL2	C12	C02	121.6°	119.9°
CL2	C12	C11	118.6°	119.9°
C12	C02	C03	121.0°	120.0°
C02	C12	C11	119.9°	120.1°
C02	C03	C04	119.7°	119.9°
C02	C03	H2	120.2°	120.0°
C12	C11	C10	119.6°	120.1°
C12	C11	H5	120.2°	120.0°
C03	C04	C10	118.0°	119.9°
C03	C04	N05	122.9°	120.1°
C04	C03	H2	120.2°	120.0°
C11	C10	C04	121.8°	119.9°
C11	C10	H1	119.1°	120.1°
C10	C11	H5	120.2°	119.9°
C10	C04	N05	118.9°	120.1°
C04	C10	H1	119.1°	120.0°
C04	N05	C06	126.5°	120.0°
C04	N05	H6	116.7°	120.0°
N05	C06	O09	117.2°	119.9°
N05	C06	C07	123.7°	120.0°
C06	N05	H6	116.7°	120.0°
O09	C06	C07	119.2°	120.1°
C06	C07	S08	108.9°	109.5°
C06	C07	H3	109.6°	109.5°
C06	C07	H4	109.6°	109.5°
S08	C07	H3	109.6°	109.4°
S08	C07	H4	109.6°	109.5°
C07	S08	H7	102.0°	103.0°
H3	C07	H4	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C02	C12	CL2	0.6°	0.2°
CL1	C02	C12	C03	179.3°	179.8°
CL1	C02	C12	C11	178.2°	180.0°
CL1	C02	C03	C04	177.9°	180.0°
CL1	C02	C03	H2	2.1°	0.3°
CL2	C12	C02	C11	178.8°	179.8°
CL2	C12	C02	C03	179.9°	180.0°
CL2	C12	C11	C10	180.0°	179.7°
CL2	C12	C11	H5	0.1°	0.3°
C12	C02	C03	C04	1.4°	0.2°
C02	C12	C11	C10	1.2°	0.0°
C12	C02	C03	H2	178.6°	180.0°
C02	C12	C11	H5	178.9°	179.9°
C03	C02	C12	C11	1.1°	0.2°
C02	C03	C04	H2	180.0°	179.7°
C02	C03	C04	C10	1.6°	0.0°
C02	C03	C04	N05	176.0°	180.0°
C12	C11	C10	H5	180.0°	179.9°
C12	C11	C10	C04	1.5°	0.3°
C12	C11	C10	H1	178.5°	179.9°
C03	C04	C10	C11	1.7°	0.2°
C03	C04	C10	N05	174.6°	180.0°
C03	C04	N05	C06	48.6°	33.3°
C03	C04	C10	H1	178.3°	180.0°
C03	C04	N05	H6	131.4°	146.7°
C11	C10	C04	H1	180.0°	179.8°
C11	C10	C04	N05	176.3°	179.8°
C10	C04	N05	C06	125.7°	146.6°
C10	C04	C03	H2	178.4°	179.7°
C04	C10	C11	H5	178.5°	179.7°
C10	C04	N05	H6	54.3°	33.3°
C04	N05	C06	H6	180.0°	180.0°
C04	N05	C06	O09	6.6°	5.3°
C04	N05	C06	C07	174.3°	174.7°
N05	C04	C10	H1	3.7°	0.0°
N05	C04	C03	H2	4.0°	0.2°
N05	C06	O09	C07	179.2°	180.0°
N05	C06	C07	S08	76.2°	180.0°
N05	C06	C07	H3	43.8°	60.0°
N05	C06	C07	H4	163.9°	59.9°
O09	C06	C07	S08	104.7°	0.0°
O09	C06	C07	H3	135.4°	120.0°
O09	C06	C07	H4	15.2°	120.0°
O09	C06	N05	H6	173.5°	174.7°
C06	C07	S08	H3	119.9°	120.0°
C06	C07	S08	H4	119.9°	120.0°
C06	C07	H3	H4	120.2°	120.0°
C07	C06	N05	H6	5.7°	5.3°
C06	C07	S08	H7	180.0°	180.0°
S08	C07	H3	H4	120.2°	120.0°
H1	C10	C11	H5	1.5°	0.1°
H3	C07	S08	H7	60.1°	60.0°
H4	C07	S08	H7	60.1°	60.0°

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