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Summary Geometry Related PDB entries

6L6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.36Å	Aromatic
C5	C4	doub	1.40Å	1.39Å	Aromatic
C8	O8	sing	1.36Å	1.30Å
C8	C9	doub	1.38Å	1.43Å	Aromatic
C4	C9	sing	1.40Å	1.42Å	Aromatic
C4	C3	sing	1.48Å	1.50Å
C2	C3	doub	1.36Å	1.42Å
C2	C1	sing	1.41Å	1.37Å
C3	O1	sing	1.35Å	1.27Å
S2	C1	sing	1.76Å	1.78Å
S2	C10	sing	1.81Å	1.79Å
C1	S1	doub	1.71Å	1.70Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
O8	H10	sing	0.97Å	0.95Å
O1	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	117.8°	120.2°
C6	C7	C8	122.4°	120.2°
C7	C6	H2	121.1°	119.9°
C6	C7	H3	118.8°	119.9°
C6	C5	C4	123.4°	119.9°
C6	C5	H1	118.3°	120.0°
C5	C6	H2	121.1°	119.9°
C7	C8	O8	115.4°	119.9°
C7	C8	C9	119.3°	120.1°
C8	C7	H3	118.8°	119.9°
C5	C4	C9	117.3°	119.8°
C5	C4	C3	121.3°	120.1°
C4	C5	H1	118.3°	120.0°
O8	C8	C9	124.9°	120.0°
C8	O8	H10	109.5°	114.0°
C8	C9	C4	119.7°	119.8°
C8	C9	H9	120.2°	120.1°
C9	C4	C3	121.2°	120.1°
C4	C9	H9	120.1°	120.1°
C4	C3	C2	120.1°	120.0°
C4	C3	O1	116.7°	120.0°
C3	C2	C1	128.0°	120.0°
C2	C3	O1	123.2°	120.0°
C3	C2	H7	116.0°	120.0°
C2	C1	S2	104.5°	120.0°
C2	C1	S1	129.2°	120.0°
C1	C2	H7	116.0°	120.0°
C3	O1	H11	109.5°	114.0°
C1	S2	C10	108.6°	100.0°
S2	C1	S1	120.2°	120.0°
S2	C10	H4	109.5°	109.5°
S2	C10	H5	109.5°	109.5°
S2	C10	H6	109.5°	109.4°
H4	C10	H5	109.5°	109.5°
H4	C10	H6	109.5°	109.5°
H5	C10	H6	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	H2	180.0°	179.9°
C6	C7	C8	H3	180.0°	179.9°
C7	C6	C5	C4	0.0°	0.1°
C6	C7	C8	O8	174.0°	180.0°
C6	C7	C8	C9	0.0°	0.0°
C7	C6	C5	H1	180.0°	179.9°
C5	C6	C7	C8	0.3°	0.1°
C6	C5	C4	H1	180.0°	180.0°
C6	C5	C4	C9	0.6°	0.0°
C6	C5	C4	C3	175.3°	179.7°
C5	C6	C7	H3	179.6°	180.0°
C7	C8	O8	C9	173.6°	180.0°
C7	C8	C9	C4	0.6°	0.0°
C8	C7	C6	H2	179.6°	180.0°
C7	C8	C9	H9	179.4°	179.8°
C7	C8	O8	H10	180.0°	90.0°
C5	C4	C9	C8	0.9°	0.0°
C5	C4	C9	C3	175.9°	179.7°
C5	C4	C3	C2	2.8°	0.0°
C5	C4	C3	O1	176.6°	179.8°
C4	C5	C6	H2	180.0°	180.0°
C5	C4	C9	H9	179.1°	179.8°
O8	C8	C9	C4	172.7°	179.9°
O8	C8	C7	H3	6.0°	0.1°
O8	C8	C9	H9	7.2°	0.3°
C8	C9	C4	H9	180.0°	179.8°
C8	C9	C4	C3	175.0°	179.7°
C9	C8	C7	H3	180.0°	180.0°
C9	C8	O8	H10	6.4°	90.0°
C9	C4	C3	C2	173.0°	179.7°
C9	C4	C3	O1	7.7°	0.0°
C9	C4	C5	H1	179.4°	180.0°
C4	C3	C2	O1	179.3°	179.8°
C4	C3	C2	C1	178.3°	164.3°
C3	C4	C5	H1	4.7°	0.3°
C4	C3	C2	H7	1.7°	15.7°
C3	C4	C9	H9	5.0°	0.0°
C4	C3	O1	H11	180.0°	174.4°
C3	C2	C1	H7	180.0°	180.0°
C3	C2	C1	S2	149.1°	157.3°
C3	C2	C1	S1	2.7°	22.7°
C2	C3	O1	H11	0.7°	5.9°
C1	C2	C3	O1	1.1°	15.4°
C2	C1	S2	S1	155.0°	180.0°
C2	C1	S2	C10	178.0°	180.0°
O1	C3	C2	H7	178.9°	164.6°
C1	S2	C10	H4	180.0°	60.0°
C1	S2	C10	H5	60.0°	60.0°
C1	S2	C10	H6	60.0°	180.0°
S2	C1	C2	H7	30.9°	22.7°
C10	S2	C1	S1	23.1°	0.0°
S2	C10	H4	H5	120.0°	120.0°
S2	C10	H4	H6	120.0°	120.0°
S2	C10	H5	H6	120.0°	120.0°
S1	C1	C2	H7	177.3°	157.3°
H1	C5	C6	H2	0.1°	0.0°
H2	C6	C7	H3	0.4°	0.1°
H4	C10	H5	H6	120.0°	120.0°

221716

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