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KDJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O32PA2doub1.48Å1.46Å
O42PA2sing1.61Å1.43Å
O41PA1doub1.48Å1.47Å
O31PA1sing1.61Å1.50Å
PA2O22sing1.61Å1.48Å
PA2O12sing1.61Å1.65Å
PA1O11sing1.61Å1.67Å
PA1O21sing1.61Å1.51Å
O11C1sing1.43Å1.46Å
O12C2sing1.43Å1.42Å
O46PA6doub1.48Å1.48Å
C2C1sing1.53Å1.50Å
C2C3sing1.53Å1.53Å
C1C6sing1.53Å1.54Å
O33PA3doub1.48Å1.45Å
O43PA3sing1.61Å1.51Å
O13PA3sing1.61Å1.63Å
O13C3sing1.43Å1.43Å
C6O16sing1.43Å1.42Å
C6C5sing1.53Å1.55Å
PA6O36sing1.61Å1.50Å
PA6O16sing1.61Å1.64Å
PA6O26sing1.61Å1.48Å
PA3O23sing1.61Å1.50Å
C3C4sing1.53Å1.52Å
C4C5sing1.53Å1.55Å
C4O14sing1.43Å1.45Å
O24PA4doub1.48Å1.50Å
C5N15sing1.46Å1.46Å
N15C25sing1.35Å1.33Å
O14PA4sing1.61Å1.70Å
PA4O34sing1.61Å1.47Å
PA4O44sing1.61Å1.45Å
O85PB5doub1.48Å1.49Å
C25O35doub1.21Å1.26Å
C25C45sing1.51Å1.56Å
F55C45sing1.40Å1.33Å
C45PB5sing1.82Å1.93Å
C45F65sing1.40Å1.37Å
PB5O95sing1.61Å1.49Å
PB5O75sing1.61Å1.48Å
N15H1sing0.97Å1.00Å
C3H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
O75H8sing0.97Å0.95Å
O95H9sing0.97Å0.95Å
O34H10sing0.97Å0.95Å
O44H11sing0.97Å0.95Å
O43H12sing0.97Å0.95Å
O23H13sing0.97Å0.95Å
O42H14sing0.97Å0.95Å
O22H15sing0.97Å0.95Å
O31H16sing0.97Å0.95Å
O21H17sing0.97Å0.95Å
O36H18sing0.97Å0.95Å
O26H19sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O32PA2O42115.8°109.5°
O32PA2O22110.0°109.5°
O32PA2O12107.3°109.5°
O42PA2O22115.9°109.4°
O42PA2O12103.0°109.5°
PA2O42H14109.5°114.0°
O41PA1O31116.2°109.5°
O41PA1O1196.6°109.5°
O41PA1O21114.2°109.5°
O31PA1O11109.1°109.4°
O31PA1O21112.5°109.5°
PA1O31H16109.5°114.0°
O22PA2O12103.4°109.5°
PA2O22H15109.5°114.0°
PA2O12C2118.4°123.0°
O11PA1O21106.5°109.5°
PA1O11C1119.2°123.0°
PA1O21H17109.5°114.0°
O11C1C2109.7°109.4°
O11C1C6113.8°109.5°
O11C1H6107.9°109.5°
O12C2C1109.6°109.5°
O12C2C3111.3°109.5°
O12C2H7110.3°109.5°
O46PA6O36119.9°109.5°
O46PA6O1698.8°109.5°
O46PA6O26114.6°109.5°
C1C2C3107.5°109.5°
C2C1C6110.9°109.4°
C2C1H6107.3°109.5°
C1C2H7109.3°109.5°
C2C3O13107.8°109.5°
C2C3C4109.9°109.4°
C2C3H2108.4°109.5°
C3C2H7108.8°109.4°
C1C6O16105.2°109.5°
C1C6C5109.7°109.5°
C1C6H5110.4°109.5°
C6C1H6106.9°109.5°
O33PA3O43117.7°109.4°
O33PA3O13104.0°109.5°
O33PA3O23114.9°109.5°
O43PA3O13102.2°109.5°
O43PA3O23112.7°109.5°
PA3O43H12109.5°114.0°
PA3O13C3122.1°123.0°
O13PA3O23102.6°109.5°
O13C3C4112.5°109.5°
O13C3H2109.7°109.4°
O16C6C5109.0°109.4°
C6O16PA6123.0°123.0°
O16C6H5112.1°109.5°
C6C5C4111.3°109.4°
C6C5N15109.9°109.5°
C6C5H4108.3°109.5°
C5C6H5110.2°109.5°
O36PA6O16108.2°109.5°
O36PA6O26113.4°109.4°
PA6O36H18109.5°114.0°
O16PA6O2697.8°109.5°
PA6O26H19109.5°114.0°
PA3O23H13109.5°114.0°
C3C4C5108.2°109.5°
C3C4O14109.4°109.4°
C4C3H2108.5°109.5°
C3C4H3108.8°109.5°
C5C4O14112.1°109.5°
C4C5N15109.3°109.5°
C5C4H3108.5°109.6°
C4C5H4108.3°109.5°
C4O14PA4119.5°123.0°
O14C4H3109.8°109.4°
O24PA4O14110.9°109.5°
O24PA4O34112.2°109.5°
O24PA4O44111.7°109.5°
C5N15C25116.8°120.0°
C5N15H1121.6°120.0°
N15C5H4109.5°109.5°
N15C25O35126.9°120.0°
N15C25C45111.4°120.0°
C25N15H1121.6°120.0°
O14PA4O34101.7°109.4°
O14PA4O4499.4°109.5°
O34PA4O44119.4°109.4°
PA4O34H10109.5°114.1°
PA4O44H11109.5°114.1°
O85PB5C4598.6°109.5°
O85PB5O95119.2°109.5°
O85PB5O75118.1°109.5°
O35C25C45120.9°119.9°
C25C45F55111.2°109.4°
C25C45PB5109.4°109.5°
C25C45F65108.6°109.5°
F55C45PB5108.6°109.5°
F55C45F65107.7°109.5°
PB5C45F65111.3°109.5°
C45PB5O9594.1°109.5°
C45PB5O7599.2°109.5°
O95PB5O75117.9°109.5°
PB5O95H9109.5°114.0°
PB5O75H8109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O32PA2O42O22131.0°120.0°
O32PA2O42O12116.8°120.0°
O32PA2O22O12114.4°120.1°
O32PA2O12C225.5°55.0°
O32PA2O42H140.0°60.0°
O32PA2O22H150.0°180.0°
O42PA2O22O12111.9°120.0°
O42PA2O12C2148.2°175.0°
O42PA2O22H15133.7°60.0°
O41PA1O31O11107.9°120.0°
O41PA1O31O21134.2°120.0°
O41PA1O11O21117.7°120.0°
O41PA1O11C1160.6°55.0°
O41PA1O31H160.0°60.0°
O41PA1O21H170.0°180.0°
O31PA1O11O21121.6°120.0°
O31PA1O11C178.7°175.0°
O31PA1O21H17135.2°60.0°
O22PA2O12C290.8°65.0°
O22PA2O42H14131.1°60.0°
PA2O12C2C1117.9°120.0°
PA2O12C2C3123.3°120.0°
PA2O12C2H72.4°0.0°
O12PA2O42H14116.8°180.0°
O12PA2O22H15114.4°60.0°
PA1O11C1C282.9°120.0°
PA1O11C1C6152.2°120.0°
PA1O11C1H633.7°0.0°
O11PA1O31H16107.9°180.0°
O11PA1O21H17105.4°59.9°
O21PA1O11C143.0°65.0°
O21PA1O31H16134.2°60.0°
O11C1C2O1268.1°60.0°
O11C1C2C6126.5°120.0°
O11C1C2H6117.0°120.0°
O11C1C2C3170.9°180.0°
O11C1C6H6119.0°120.0°
O11C1C6O1660.9°60.0°
O11C1C6C5178.1°180.0°
O11C1C6H560.3°60.0°
O11C1C2H752.9°60.0°
O12C2C1C3121.1°120.0°
O12C2C1H7121.0°120.0°
O12C2C3H7121.8°120.0°
O12C2C1C658.5°60.0°
O12C2C3O1368.0°60.0°
O12C2C3C454.9°60.0°
O12C2C3H2173.3°180.0°
O12C2C1H6174.9°180.0°
O46PA6O16C691.8°55.0°
O46PA6O36O16112.0°120.0°
O46PA6O36O26140.7°120.0°
O46PA6O16O26116.6°120.0°
O46PA6O36H18158.9°60.0°
O46PA6O26H190.0°180.0°
C1C2C3H7118.2°120.0°
C2C1C6H6116.7°120.0°
C1C2C3O13172.0°180.0°
C2C1C6O16174.9°180.0°
C2C1C6C557.7°60.1°
C1C2C3C465.1°60.0°
C1C2C3H253.3°60.0°
C2C1C6H563.9°60.0°
C3C2C1C662.6°60.1°
C2C3O13PA3114.9°120.0°
C2C3O13C4121.4°120.0°
C2C3O13H2117.8°120.0°
C2C3C4H2118.4°120.0°
C2C3C4C561.5°60.0°
C2C3C4O14176.1°180.0°
C2C3C4H356.1°60.0°
C3C2C1H653.9°60.0°
C1C6O16C5117.7°120.0°
C1C6O16H5120.0°120.0°
C1C6C5H5121.7°120.1°
C1C6O16PA6123.3°120.0°
C1C6C5C453.9°60.1°
C1C6C5N15175.2°180.0°
C1C6C5H465.1°59.9°
C6C1C2H7179.5°180.0°
O33PA3O43O13113.2°120.0°
O33PA3O43O23137.5°120.0°
O33PA3O13O23120.1°120.0°
O33PA3O13C359.1°54.9°
O33PA3O43H120.0°180.0°
O33PA3O23H130.0°60.0°
O43PA3O13O23117.0°120.0°
O43PA3O13C3177.9°65.0°
O43PA3O23H13138.7°60.0°
PA3O13C3C4123.7°120.0°
PA3O13C3H22.9°0.0°
O13PA3O43H12113.2°60.0°
O13PA3O23H13112.2°180.0°
C3O13PA3O2360.9°175.0°
O13C3C4H2121.5°120.0°
O13C3C4C5178.4°180.0°
O13C3C4O1456.0°60.0°
O13C3C4H364.0°60.0°
O13C3C2H753.7°60.0°
O16C6C5H5123.5°120.0°
C6O16PA6O3633.8°175.0°
C6O16PA6O26151.7°65.0°
O16C6C5C4168.7°180.0°
O16C6C5N1570.0°60.0°
O16C6C5H449.7°60.0°
O16C6C1H658.2°60.0°
C5C6O16PA6119.0°120.0°
C6C5C4C356.0°60.0°
C6C5C4N15121.7°120.0°
C6C5C4H4119.0°120.0°
C6C5C4O14176.7°180.0°
C6C5N15H4119.0°120.0°
C6C5N15C25113.4°85.1°
C6C5N15H166.6°94.7°
C6C5C4H361.9°60.0°
C5C6C1H659.0°59.9°
O36PA6O16O26117.9°120.0°
O36PA6O26H19142.8°60.0°
PA6O16C6H53.3°0.0°
O16PA6O36H1889.1°180.0°
O16PA6O26H19103.4°60.0°
O26PA6O36H1818.3°60.0°
O23PA3O43H12137.5°60.0°
C3C4C5O14120.7°120.0°
C3C4C5H3117.9°120.0°
C3C4O14H3119.3°119.9°
C3C4C5N15177.7°180.0°
C3C4O14PA4108.5°120.1°
C3C4C5H463.0°60.0°
C4C3C2H7176.6°180.0°
C5C4O14H3120.7°120.1°
C4C5N15H4118.5°120.0°
C4C5N15C25124.1°155.0°
C5C4O14PA4131.5°120.0°
C4C5N15H155.9°25.2°
C5C4C3H256.9°60.0°
C4C5C6H567.8°60.0°
C4O14PA4O2429.9°54.9°
O14C4C5N1561.7°60.0°
C4O14PA4O3489.5°65.1°
C4O14PA4O44147.6°175.0°
O14C4C3H265.5°60.0°
O14C4C5H457.6°60.0°
O24PA4O14O34119.5°120.0°
O24PA4O14O44117.7°120.0°
O24PA4O34O44133.5°120.0°
O24PA4O34H100.0°180.0°
O24PA4O44H110.0°59.9°
C5N15C25H1180.0°179.8°
C5N15C25O355.9°0.2°
C5N15C25C45175.4°179.7°
N15C5C4H359.8°60.0°
N15C5C6H553.5°60.0°
N15C25O35C45168.6°179.9°
N15C25C45F5511.1°60.1°
N15C25C45PB5108.9°180.0°
N15C25C45F65129.4°59.9°
C25N15C5H45.6°35.0°
O14PA4O34O44108.0°120.0°
PA4O14C4H310.8°0.1°
O14PA4O34H10118.6°60.0°
O14PA4O44H11117.1°180.0°
O34PA4O44H11133.7°60.1°
O44PA4O34H10133.5°60.0°
O85PB5C45C2553.8°179.9°
O85PB5C45F5567.8°60.0°
O85PB5C45O95120.4°120.0°
O85PB5C45O75120.5°120.0°
O85PB5C45F65173.8°60.0°
O85PB5O95O75155.1°120.0°
O85PB5O75H80.0°179.9°
O85PB5O95H90.0°60.0°
O35C25C45F55159.2°120.0°
O35C25C45PB580.9°0.1°
O35C25C45F6540.8°120.0°
O35C25N15H1174.1°180.0°
C25C45F55PB5120.5°120.0°
C25C45F55F65118.9°120.0°
C25C45PB5F65120.0°120.0°
C25C45PB5O95174.2°60.0°
C25C45PB5O7566.7°60.0°
C45C25N15H14.6°0.1°
F55C45PB5F65118.4°120.0°
F55C45PB5O9552.6°180.0°
F55C45PB5O75171.7°60.0°
C45PB5O95O75102.7°120.0°
C45PB5O75H8105.0°60.0°
C45PB5O95H9102.3°180.0°
F65C45PB5O9565.8°60.0°
F65C45PB5O7553.3°180.0°
O95PB5O75H8155.3°60.0°
O75PB5O95H9155.0°60.0°
H1N15C5H4174.4°145.2°
H2C3C4H3174.5°179.9°
H2C3C2H764.9°60.0°
H3C4C5H4179.1°180.0°
H4C5C6H5173.2°180.0°
H5C6C1H6179.4°180.0°
H6C1C2H764.1°60.0°

222624

PDB entries from 2024-07-17

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