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XU7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OALBAIsing1.42Å1.46Å
BAIOAKsing1.42Å1.47Å
BAICAHsing1.57Å1.63Å
CAHCAGsing1.53Å1.55Å
CAGCADsing1.53Å1.57Å
NAECADsing1.47Å1.46Å
OACCABdoub1.21Å1.25Å
CADCABsing1.51Å1.52Å
CABOAAsing1.34Å1.25Å
OAKH1sing0.97Å0.95Å
OALH2sing0.97Å0.95Å
CAHH3sing1.09Å1.10Å
CAHH4sing1.09Å1.10Å
CAGH5sing1.09Å1.10Å
CAGH6sing1.09Å1.10Å
OAAH10sing0.97Å0.95Å
NAEH11sing1.01Å1.00Å
NAEH12sing1.01Å1.00Å
CADH7sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OALBAIOAK105.6°120.0°
OALBAICAH108.1°120.0°
BAIOALH2109.5°114.0°
OAKBAICAH112.6°120.0°
BAIOAKH1109.5°114.0°
BAICAHCAG114.3°109.5°
BAICAHH3108.3°109.5°
BAICAHH4108.2°109.5°
CAHCAGCAD113.8°109.5°
CAGCAHH3108.3°109.5°
CAGCAHH4108.3°109.5°
CAHCAGH5108.4°109.5°
CAHCAGH6108.4°109.4°
CAGCADNAE110.9°109.5°
CAGCADCAB110.4°109.5°
CADCAGH5108.4°109.5°
CADCAGH6108.4°109.5°
CAGCADH7108.5°109.5°
NAECADCAB108.1°109.4°
CADNAEH11109.5°111.0°
CADNAEH12109.5°111.0°
NAECADH7109.9°109.5°
OACCABCAD120.2°120.0°
OACCABOAA124.6°120.0°
CADCABOAA115.0°120.0°
CABCADH7109.1°109.5°
CABOAAH10109.5°117.0°
H3CAHH4109.5°109.4°
H5CAGH6109.4°109.5°
H11NAEH12109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OALBAIOAKCAH117.8°179.7°
OALBAICAHCAG165.4°179.7°
OALBAIOAKH1180.0°0.3°
OALBAICAHH344.7°60.3°
OALBAICAHH473.9°59.7°
OAKBAICAHCAG78.4°0.0°
OAKBAIOALH2180.0°0.1°
OAKBAICAHH3160.9°120.0°
OAKBAICAHH442.4°120.0°
BAICAHCAGH3120.7°120.0°
BAICAHCAGH4120.7°120.0°
BAICAHCAGCAD174.1°180.0°
CAHBAIOAKH162.2°180.0°
CAHBAIOALH259.3°179.8°
BAICAHH3H4117.8°120.0°
BAICAHCAGH565.3°60.0°
BAICAHCAGH653.4°60.0°
CAHCAGCADH5120.7°120.0°
CAHCAGCADH6120.7°120.0°
CAHCAGCADNAE55.9°65.0°
CAHCAGCADCAB175.8°175.0°
CAGCAHH3H4117.8°120.0°
CAHCAGH5H6118.0°119.9°
CAHCAGCADH764.8°55.0°
CAGCADNAECAB121.1°120.0°
CAGCADNAEH7119.9°120.1°
CAGCADCABOAC87.7°100.0°
CAGCADCABH7119.1°120.0°
CAGCADCABOAA86.6°80.0°
CADCAGCAHH353.4°60.0°
CADCAGCAHH465.2°60.0°
CADCAGH5H6118.0°120.1°
CAGCADNAEH11180.0°176.1°
CAGCADNAEH1260.0°60.0°
NAECADCABOAC33.8°20.0°
NAECADCABH7119.4°120.0°
NAECADCABOAA151.9°160.0°
NAECADCAGH5176.6°175.0°
NAECADCAGH664.7°54.9°
CADNAEH11H12120.0°124.0°
OACCABCADOAA174.3°180.0°
OACCABOAAH100.0°0.0°
OACCABCADH7153.3°140.0°
CABCADCAGH563.6°55.0°
CABCADCAGH655.1°65.0°
CADCABOAAH10174.0°180.0°
CABCADNAEH1158.9°63.9°
CABCADNAEH1261.1°60.0°
OAACABCADH732.5°40.0°
H3CAHCAGH5174.0°180.0°
H3CAHCAGH667.3°60.1°
H4CAHCAGH555.4°60.1°
H4CAHCAGH6174.1°180.0°
H5CAGCADH755.9°65.0°
H6CAGCADH7174.6°175.0°
H11NAECADH760.1°56.0°
H12NAECADH7179.9°180.0°

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PDB entries from 2024-07-17

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