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Summary Geometry Related PDB entries

XI7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C9	doub	1.21Å	1.37Å
C9	C10	sing	1.49Å	1.37Å
C9	C8	sing	1.51Å	1.38Å
C10	O11	sing	1.35Å	1.26Å
C10	O10	doub	1.21Å	1.24Å
C8	C7	sing	1.51Å	1.50Å
C7	C1	sing	1.47Å	1.52Å
C7	O14	doub	1.21Å	1.21Å
C1	C6	sing	1.40Å	1.41Å	Aromatic
C1	C2	doub	1.40Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.40Å	Aromatic
C4	C3	doub	1.38Å	1.41Å	Aromatic
C3	C2	sing	1.38Å	1.40Å	Aromatic
C8	H81C	sing	1.09Å	1.10Å
C8	H82C	sing	1.09Å	1.10Å
O11	H11	sing	0.97Å	0.95Å
C6	H6	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C9	C10	120.6°	120.0°
O8	C9	C8	122.5°	120.0°
C10	C9	C8	116.9°	120.0°
C9	C10	O11	124.4°	120.0°
C9	C10	O10	120.1°	120.0°
C9	C8	C7	128.8°	109.5°
C9	C8	H81C	103.5°	109.5°
C9	C8	H82C	98.9°	109.5°
O11	C10	O10	115.4°	120.0°
C10	O11	H11	109.5°	117.0°
C8	C7	C1	121.0°	120.0°
C8	C7	O14	124.1°	120.0°
C7	C8	H81C	103.5°	109.4°
C7	C8	H82C	99.0°	109.5°
C1	C7	O14	114.8°	120.0°
C7	C1	C6	120.8°	120.2°
C7	C1	C2	119.4°	120.2°
C6	C1	C2	119.7°	119.7°
C1	C6	C5	120.7°	119.8°
C1	C6	H6	119.7°	120.1°
C1	C2	C3	120.1°	119.8°
C1	C2	H2	120.0°	120.1°
C6	C5	C4	119.2°	120.2°
C5	C6	H6	119.7°	120.1°
C6	C5	H5	120.4°	119.9°
C5	C4	C3	120.7°	120.4°
C4	C5	H5	120.4°	119.9°
C5	C4	H4	119.6°	119.9°
C4	C3	C2	119.6°	120.1°
C3	C4	H4	119.7°	119.8°
C4	C3	H3	120.2°	120.0°
C3	C2	H2	119.9°	120.1°
C2	C3	H3	120.2°	119.9°
H81C	C8	H82C	126.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C9	C10	C8	179.2°	179.6°
O8	C9	C10	O11	1.7°	0.1°
O8	C9	C10	O10	179.3°	179.9°
O8	C9	C8	C7	0.3°	0.1°
O8	C9	C8	H81C	119.7°	120.0°
O8	C9	C8	H82C	109.5°	120.0°
C9	C10	O11	O10	179.0°	180.0°
C10	C9	C8	C7	179.5°	179.7°
C10	C9	C8	H81C	59.5°	60.3°
C10	C9	C8	H82C	71.3°	59.7°
C9	C10	O11	H11	179.0°	180.0°
C8	C9	C10	O11	177.5°	179.7°
C8	C9	C10	O10	1.4°	0.3°
C9	C8	C7	H81C	120.0°	120.0°
C9	C8	C7	H82C	109.2°	120.1°
C9	C8	C7	C1	175.2°	180.0°
C9	C8	C7	O14	8.0°	0.0°
C9	C8	H81C	H82C	111.9°	120.1°
O10	C10	O11	H11	0.0°	0.0°
C8	C7	C1	O14	177.1°	180.0°
C8	C7	C1	C6	47.2°	180.0°
C8	C7	C1	C2	134.2°	0.3°
C7	C8	H81C	H82C	112.0°	120.0°
C7	C1	C6	C2	178.6°	179.7°
C7	C1	C6	C5	178.7°	180.0°
C7	C1	C2	C3	179.0°	179.8°
C1	C7	C8	H81C	64.8°	60.0°
C1	C7	C8	H82C	66.0°	59.9°
C7	C1	C6	H6	1.3°	0.1°
C7	C1	C2	H2	1.0°	0.0°
O14	C7	C1	C6	135.8°	0.0°
O14	C7	C1	C2	42.8°	179.7°
O14	C7	C8	H81C	112.0°	120.0°
O14	C7	C8	H82C	117.2°	120.0°
C1	C6	C5	H6	180.0°	179.9°
C1	C6	C5	C4	0.3°	0.0°
C6	C1	C2	C3	0.4°	0.5°
C6	C1	C2	H2	179.6°	179.7°
C1	C6	C5	H5	179.7°	180.0°
C2	C1	C6	C5	0.1°	0.3°
C1	C2	C3	C4	0.3°	0.5°
C1	C2	C3	H2	180.0°	179.8°
C2	C1	C6	H6	179.9°	179.8°
C1	C2	C3	H3	179.7°	179.7°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	0.4°	0.0°
C6	C5	C4	H4	179.6°	180.0°
C5	C4	C3	H4	180.0°	179.9°
C5	C4	C3	C2	0.1°	0.3°
C4	C5	C6	H6	179.7°	180.0°
C5	C4	C3	H3	179.9°	179.9°
C4	C3	C2	H3	180.0°	179.8°
C4	C3	C2	H2	179.7°	179.7°
C3	C4	C5	H5	179.6°	180.0°
C2	C3	C4	H4	179.9°	179.8°
H6	C6	C5	H5	0.3°	0.0°
H2	C2	C3	H3	0.3°	0.1°
H5	C5	C4	H4	0.4°	0.0°
H4	C4	C3	H3	0.1°	0.0°

246704

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