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Summary Geometry Related PDB entries

DUV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	trip	1.17Å	1.18Å
C8	C7	sing	1.47Å	1.53Å
C7	C6	sing	1.53Å	1.54Å
O1	C2	doub	1.21Å	1.26Å
C6	C5	sing	1.53Å	1.54Å
O3	C2	sing	1.34Å	1.26Å
C2	C4	sing	1.51Å	1.52Å
C5	C4	sing	1.53Å	1.53Å
C4	C10	sing	1.51Å	1.53Å
C10	O11	doub	1.21Å	1.18Å
O3	H1	sing	0.97Å	0.95Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.05Å	1.06Å
C10	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	179.5°	180.0°
C8	C9	H9	180.0°	180.0°
C8	C7	C6	111.3°	109.4°
C8	C7	H7	109.0°	109.5°
C8	C7	H8	109.0°	109.5°
C7	C6	C5	112.7°	109.4°
C7	C6	H5	108.7°	109.5°
C7	C6	H6	108.7°	109.5°
C6	C7	H7	109.0°	109.5°
C6	C7	H8	109.0°	109.5°
O1	C2	O3	122.5°	120.0°
O1	C2	C4	118.2°	120.0°
C6	C5	C4	112.4°	109.5°
C6	C5	H3	108.7°	109.4°
C6	C5	H4	108.7°	109.5°
C5	C6	H5	108.7°	109.4°
C5	C6	H6	108.7°	109.5°
O3	C2	C4	119.3°	120.0°
C2	O3	H1	109.5°	117.0°
C2	C4	C5	111.3°	109.4°
C2	C4	C10	108.1°	109.5°
C2	C4	H2	108.3°	109.5°
C5	C4	C10	112.6°	109.5°
C5	C4	H2	108.1°	109.4°
C4	C5	H3	108.7°	109.4°
C4	C5	H4	108.7°	109.5°
C4	C10	O11	121.0°	120.0°
C10	C4	H2	108.2°	109.5°
C4	C10	H10	119.5°	120.0°
O11	C10	H10	119.5°	120.0°
H3	C5	H4	109.5°	109.5°
H5	C6	H6	109.4°	109.5°
H7	C7	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	C6	95.6°	119.0°
C9	C8	C7	H7	24.7°	0.9°
C9	C8	C7	H8	144.2°	121.0°
C8	C7	C6	H7	120.3°	120.0°
C8	C7	C6	H8	120.3°	120.0°
C8	C7	C6	C5	166.8°	180.0°
C8	C7	C6	H5	72.7°	60.0°
C8	C7	C6	H6	46.3°	60.0°
C8	C7	H7	H8	119.2°	120.0°
C7	C8	C9	H9	5.8°	59.6°
C7	C6	C5	H5	120.5°	120.0°
C7	C6	C5	H6	120.5°	120.0°
C7	C6	C5	C4	176.1°	180.0°
C7	C6	C5	H3	63.5°	60.1°
C7	C6	C5	H4	55.6°	60.0°
C7	C6	H5	H6	118.5°	120.0°
C6	C7	H7	H8	119.2°	120.0°
O1	C2	O3	C4	179.9°	179.8°
O1	C2	C4	C5	143.1°	0.0°
O1	C2	C4	C10	92.7°	120.0°
O1	C2	O3	H1	0.0°	0.1°
O1	C2	C4	H2	24.3°	120.0°
C6	C5	C4	C2	69.8°	175.0°
C6	C5	C4	H3	120.4°	119.9°
C6	C5	C4	H4	120.5°	120.1°
C6	C5	C4	C10	168.6°	65.0°
C6	C5	C4	H2	49.0°	55.1°
C6	C5	H3	H4	118.7°	120.0°
C5	C6	H5	H6	118.5°	120.0°
C5	C6	C7	H7	46.5°	60.1°
C5	C6	C7	H8	73.0°	60.0°
O3	C2	C4	C5	37.0°	179.8°
O3	C2	C4	C10	87.2°	59.7°
O3	C2	C4	H2	155.8°	60.3°
C2	C4	C5	C10	121.6°	120.0°
C2	C4	C5	H2	118.9°	120.0°
C2	C4	C10	H2	117.1°	120.0°
C2	C4	C10	O11	86.8°	120.0°
C4	C2	O3	H1	179.9°	179.7°
C2	C4	C5	H3	50.6°	65.1°
C2	C4	C5	H4	169.7°	55.0°
C2	C4	C10	H10	93.2°	60.0°
C5	C4	C10	H2	119.5°	120.0°
C5	C4	C10	O11	36.7°	120.0°
C4	C5	H3	H4	118.6°	120.0°
C4	C5	C6	H5	55.6°	60.0°
C4	C5	C6	H6	63.4°	60.0°
C5	C4	C10	H10	143.4°	60.0°
C4	C10	O11	H10	180.0°	180.0°
C10	C4	C5	H3	71.0°	55.0°
C10	C4	C5	H4	48.1°	175.0°
O11	C10	C4	H2	156.1°	0.0°
H2	C4	C5	H3	169.5°	175.0°
H2	C4	C5	H4	71.4°	65.0°
H2	C4	C10	H10	23.9°	180.0°
H3	C5	C6	H5	176.0°	179.9°
H3	C5	C6	H6	57.0°	59.9°
H4	C5	C6	H5	64.8°	60.0°
H4	C5	C6	H6	176.1°	180.0°
H5	C6	C7	H7	167.0°	180.0°
H5	C6	C7	H8	47.5°	60.0°
H6	C6	C7	H7	74.0°	59.9°
H6	C6	C7	H8	166.6°	180.0°

223166

PDB entries from 2024-07-31

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