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Summary Geometry Related PDB entries

7JX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR1	C2	sing	1.89Å	1.94Å
C2	C3	doub	1.36Å	1.39Å	Aromatic
C2	C1	sing	1.39Å	1.39Å	Aromatic
C3	C6	sing	1.41Å	1.39Å	Aromatic
C1	C4	doub	1.37Å	1.38Å	Aromatic
C6	C7	doub	1.41Å	1.37Å	Aromatic
C6	C5	sing	1.42Å	1.40Å	Aromatic
C4	C5	sing	1.41Å	1.40Å	Aromatic
C4	O12	sing	1.36Å	1.37Å
C7	C8	sing	1.37Å	1.37Å	Aromatic
C5	N10	doub	1.34Å	1.36Å	Aromatic
C8	C9	doub	1.39Å	1.39Å	Aromatic
C8	CL3	sing	1.74Å	1.73Å
N10	C9	sing	1.31Å	1.36Å	Aromatic
C7	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
O12	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR1	C2	C3	120.0°	119.5°
BR1	C2	C1	119.0°	119.5°
C3	C2	C1	121.0°	120.9°
C2	C3	C6	119.8°	119.7°
C2	C3	H3	120.1°	120.2°
C2	C1	C4	119.5°	121.0°
C2	C1	H2	120.3°	119.5°
C3	C6	C7	119.5°	121.3°
C3	C6	C5	119.7°	119.6°
C6	C3	H3	120.1°	120.1°
C1	C4	C5	120.2°	119.7°
C1	C4	O12	116.6°	120.2°
C4	C1	H2	120.3°	119.5°
C7	C6	C5	120.8°	119.1°
C6	C7	C8	119.6°	118.1°
C6	C7	H1	120.2°	121.0°
C6	C5	C4	119.9°	119.1°
C6	C5	N10	118.4°	119.8°
C5	C4	O12	123.2°	120.2°
C4	C5	N10	121.7°	121.1°
C4	O12	H5	109.5°	114.1°
C7	C8	C9	120.1°	119.9°
C7	C8	CL3	120.0°	120.0°
C8	C7	H1	120.2°	120.9°
C5	N10	C9	122.0°	121.4°
C9	C8	CL3	119.9°	120.1°
C8	C9	N10	119.1°	121.8°
C8	C9	H4	120.4°	119.2°
N10	C9	H4	120.5°	119.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR1	C2	C3	C1	179.8°	179.0°
BR1	C2	C3	C6	179.8°	180.0°
BR1	C2	C1	C4	179.5°	179.7°
BR1	C2	C1	H2	0.5°	0.4°
BR1	C2	C3	H3	0.2°	1.0°
C2	C3	C6	H3	180.0°	179.0°
C3	C2	C1	C4	0.3°	0.7°
C2	C3	C6	C7	179.6°	179.4°
C2	C3	C6	C5	0.1°	0.6°
C3	C2	C1	H2	179.7°	179.4°
C1	C2	C3	C6	0.0°	1.0°
C2	C1	C4	H2	180.0°	179.9°
C2	C1	C4	C5	0.6°	0.0°
C2	C1	C4	O12	179.5°	179.7°
C1	C2	C3	H3	180.0°	180.0°
C3	C6	C7	C5	179.5°	180.0°
C3	C6	C5	C4	0.1°	0.0°
C3	C6	C7	C8	179.7°	180.0°
C3	C6	C5	N10	179.3°	180.0°
C3	C6	C7	H1	0.3°	0.1°
C1	C4	C5	C6	0.4°	0.3°
C1	C4	C5	O12	180.0°	179.7°
C1	C4	C5	N10	179.6°	179.7°
C1	C4	O12	H5	180.0°	90.2°
C7	C6	C5	C4	179.4°	180.0°
C6	C7	C8	H1	180.0°	179.9°
C7	C6	C5	N10	0.2°	0.0°
C6	C7	C8	C9	0.3°	0.0°
C6	C7	C8	CL3	179.9°	180.0°
C7	C6	C3	H3	0.4°	0.3°
C6	C5	C4	N10	179.2°	180.0°
C6	C5	C4	O12	179.6°	180.0°
C5	C6	C7	C8	0.3°	0.0°
C6	C5	N10	C9	0.5°	0.0°
C5	C6	C7	H1	179.8°	179.9°
C5	C6	C3	H3	179.9°	179.7°
C4	C5	N10	C9	179.8°	180.0°
C5	C4	C1	H2	179.4°	180.0°
C5	C4	O12	H5	0.0°	90.0°
O12	C4	C5	N10	0.4°	0.0°
O12	C4	C1	H2	0.5°	0.2°
C7	C8	C9	CL3	179.8°	180.0°
C7	C8	C9	N10	0.0°	0.1°
C7	C8	C9	H4	180.0°	180.0°
C5	N10	C9	C8	0.5°	0.0°
C5	N10	C9	H4	179.5°	179.9°
C8	C9	N10	H4	180.0°	179.9°
C9	C8	C7	H1	179.7°	180.0°
CL3	C8	C9	N10	179.7°	180.0°
CL3	C8	C7	H1	0.1°	0.0°
CL3	C8	C9	H4	0.3°	0.0°

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