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XHN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICAHsing1.53Å1.55Å
OAKCAHsing1.43Å1.47Å
CAHCAJsing1.53Å1.50Å
CAHCAEsing1.51Å1.46Å
CAECAFdoub1.38Å1.41ÅAromatic
CAECADsing1.38Å1.40ÅAromatic
CAFCAAsing1.39Å1.42ÅAromatic
CADCACdoub1.38Å1.39ÅAromatic
OCdoub1.21Å1.24Å
CBJCBIsing1.53Å1.54Å
CBJCBKsing1.53Å1.61Å
CAACAUsing1.48Å1.41Å
CAACABdoub1.40Å1.42ÅAromatic
CACCABsing1.39Å1.42ÅAromatic
CNBFsing1.35Å1.34Å
CCAsing1.51Å1.52Å
NCAVsing1.38Å1.36Å
NCAsing1.47Å1.48Å
CBICBHsing1.53Å1.55Å
CBHNBFsing1.47Å1.46Å
CBHCBMsing1.53Å1.55Å
CAUCAVsing1.42Å1.42Å
CAUCAZdoub1.36Å1.39Å
CAVCAWdoub1.38Å1.40Å
CABOAGsing1.36Å1.38Å
OBNCBKsing1.43Å1.45Å
CAZNAYsing1.36Å1.41Å
CBLCBKsing1.53Å1.52Å
CBLCBMsing1.53Å1.51Å
CAWCAXsing1.40Å1.38Å
CARCAMsing1.51Å1.39Å
NAYCAXsing1.35Å1.33Å
NAYCBCsing1.47Å1.48Å
CAXOBAdoub1.22Å1.22Å
OAGCALsing1.36Å1.39Å
CAMCALdoub1.39Å1.39ÅAromatic
CAMCANsing1.38Å1.39ÅAromatic
CALCAQsing1.39Å1.40ÅAromatic
CANCAOdoub1.38Å1.39ÅAromatic
CAQCASsing1.51Å1.37Å
CAQCAPdoub1.38Å1.40ÅAromatic
CAOCAPsing1.38Å1.40ÅAromatic
CAOFATsing1.35Å1.57Å
NH1sing0.97Å1.00Å
CBIH2sing1.09Å1.10Å
CBIH3sing1.09Å1.10Å
CBJH4sing1.09Å1.10Å
CBJH5sing1.09Å1.10Å
CBKH6sing1.09Å1.10Å
OBNH7sing0.97Å0.95Å
CBLH8sing1.09Å1.10Å
CBLH9sing1.09Å1.10Å
CBMH10sing1.09Å1.10Å
CBMH11sing1.09Å1.10Å
CBHH12sing1.09Å1.10Å
NBFH13sing0.97Å1.00Å
CAH14sing1.09Å1.10Å
CAH15sing1.09Å1.10Å
CAWH16sing1.08Å1.08Å
CBCH17sing1.09Å1.10Å
CBCH18sing1.09Å1.10Å
CBCH19sing1.09Å1.10Å
CAZH20sing1.08Å1.08Å
CAFH21sing1.08Å1.08Å
CAIH22sing1.09Å1.10Å
CAIH23sing1.09Å1.10Å
CAIH24sing1.09Å1.10Å
CAJH25sing1.09Å1.10Å
CAJH26sing1.09Å1.10Å
CAJH27sing1.09Å1.10Å
OAKH28sing0.97Å0.95Å
CADH29sing1.08Å1.08Å
CACH30sing1.08Å1.08Å
CARH31sing1.09Å1.10Å
CARH32sing1.09Å1.10Å
CARH33sing1.09Å1.10Å
CANH34sing1.08Å1.08Å
CAPH35sing1.08Å1.08Å
CASH36sing1.09Å1.10Å
CASH37sing1.09Å1.10Å
CASH38sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAHOAK107.9°109.5°
CAICAHCAJ106.0°109.5°
CAICAHCAE114.1°109.5°
CAHCAIH22109.5°109.5°
CAHCAIH23109.4°109.4°
CAHCAIH24109.5°109.5°
OAKCAHCAJ105.3°109.5°
OAKCAHCAE114.0°109.5°
CAHOAKH28109.5°114.0°
CAJCAHCAE108.9°109.4°
CAHCAJH25109.5°109.5°
CAHCAJH26109.5°109.5°
CAHCAJH27109.5°109.5°
CAHCAECAF122.6°119.9°
CAHCAECAD121.8°119.9°
CAFCAECAD115.6°120.2°
CAECAFCAA123.7°120.0°
CAECAFH21118.2°120.0°
CAECADCAC123.4°120.3°
CAECADH29118.3°119.8°
CAFCAACAU118.0°120.2°
CAFCAACAB118.2°119.7°
CAACAFH21118.1°120.0°
CADCACCAB120.0°120.1°
CACCADH29118.3°119.9°
CADCACH30120.0°119.9°
OCNBF124.3°120.0°
OCCA124.0°120.0°
CBICBJCBK109.2°109.5°
CBJCBICBH110.8°109.5°
CBJCBIH2109.1°109.5°
CBJCBIH3109.1°109.5°
CBICBJH4109.5°109.5°
CBICBJH5109.5°109.5°
CBJCBKOBN112.8°109.5°
CBJCBKCBL112.6°109.5°
CBKCBJH4109.5°109.5°
CBKCBJH5109.6°109.5°
CBJCBKH6106.6°109.5°
CAUCAACAB123.8°120.2°
CAACAUCAV128.5°120.2°
CAACAUCAZ114.9°120.3°
CAACABCAC119.1°119.8°
CAACABOAG116.2°120.1°
CACCABOAG124.7°120.1°
CABCACH30120.0°120.0°
NBFCCA111.7°120.0°
CNBFCBH123.2°120.0°
CNBFH13118.4°120.0°
CCAN113.1°109.5°
CCAH14108.6°109.5°
CCAH15108.6°109.5°
CAVNCA124.8°120.0°
NCAVCAU120.4°120.5°
NCAVCAW120.6°120.6°
CAVNH1105.5°120.0°
CANH1105.5°120.0°
NCAH14108.6°109.4°
NCAH15108.6°109.5°
CBICBHNBF112.2°109.5°
CBICBHCBM112.1°109.4°
CBHCBIH2109.1°109.5°
CBHCBIH3109.1°109.5°
CBICBHH12109.0°109.4°
NBFCBHCBM104.2°109.5°
NBFCBHH12110.3°109.5°
CBHNBFH13118.4°120.1°
CBHCBMCBL110.3°109.5°
CBHCBMH10109.3°109.5°
CBHCBMH11109.3°109.5°
CBMCBHH12109.0°109.5°
CAVCAUCAZ116.6°119.5°
CAUCAVCAW119.0°118.9°
CAUCAZNAY122.6°120.7°
CAUCAZH20118.7°119.6°
CAVCAWCAX122.0°119.2°
CAVCAWH16119.0°120.4°
CABOAGCAL119.4°118.0°
OBNCBKCBL108.6°109.5°
OBNCBKH6108.5°109.5°
CBKOBNH7109.5°114.0°
CAZNAYCAX119.8°121.3°
CAZNAYCBC120.2°119.4°
NAYCAZH20118.7°119.7°
CBKCBLCBM108.0°109.5°
CBLCBKH6107.5°109.5°
CBKCBLH8109.9°109.5°
CBKCBLH9109.8°109.5°
CBMCBLH8109.8°109.5°
CBMCBLH9109.9°109.5°
CBLCBMH10109.3°109.5°
CBLCBMH11109.3°109.5°
CAWCAXNAY119.9°120.4°
CAWCAXOBA120.3°119.8°
CAXCAWH16119.0°120.3°
CARCAMCAL120.3°120.0°
CARCAMCAN119.9°120.0°
CAMCARH31109.5°109.5°
CAMCARH32109.4°109.5°
CAMCARH33109.5°109.5°
CAXNAYCBC120.0°119.4°
NAYCAXOBA119.8°119.8°
NAYCBCH17109.5°109.5°
NAYCBCH18109.4°109.5°
NAYCBCH19109.5°109.5°
OAGCALCAM118.2°120.0°
OAGCALCAQ122.3°120.0°
CALCAMCAN119.8°120.0°
CAMCALCAQ119.5°119.9°
CAMCANCAO121.5°120.1°
CAMCANH34119.3°120.0°
CALCAQCAS124.0°120.0°
CALCAQCAP120.1°119.9°
CANCAOCAP118.6°120.0°
CANCAOFAT119.7°120.0°
CAOCANH34119.2°119.9°
CASCAQCAP115.9°120.0°
CAQCASH36109.5°109.5°
CAQCASH37109.5°109.5°
CAQCASH38109.4°109.5°
CAQCAPCAO120.4°120.1°
CAQCAPH35119.8°120.0°
CAPCAOFAT121.6°120.0°
CAOCAPH35119.8°120.0°
H2CBIH3109.5°109.4°
H4CBJH5109.4°109.5°
H8CBLH9109.4°109.5°
H10CBMH11109.5°109.5°
H14CAH15109.5°109.5°
H17CBCH18109.5°109.4°
H17CBCH19109.5°109.5°
H18CBCH19109.5°109.5°
H22CAIH23109.5°109.5°
H22CAIH24109.5°109.5°
H23CAIH24109.5°109.5°
H25CAJH26109.5°109.5°
H25CAJH27109.4°109.5°
H26CAJH27109.5°109.5°
H31CARH32109.5°109.5°
H31CARH33109.4°109.5°
H32CARH33109.5°109.5°
H36CASH37109.4°109.4°
H36CASH38109.5°109.5°
H37CASH38109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAHOAKCAJ112.8°120.0°
CAICAHOAKCAE127.9°120.0°
CAICAHCAJCAE123.2°120.0°
CAICAHCAECAF133.8°90.0°
CAICAHCAECAD48.6°89.9°
CAHCAIH22H23120.0°120.0°
CAHCAIH22H24120.0°120.0°
CAHCAIH23H24120.0°120.0°
CAICAHCAJH25180.0°180.0°
CAICAHCAJH2660.0°60.0°
CAICAHCAJH2760.0°60.0°
CAICAHOAKH28180.0°180.0°
OAKCAHCAJCAE122.7°120.0°
OAKCAHCAECAF9.2°30.0°
OAKCAHCAECAD173.2°150.1°
OAKCAHCAIH22180.0°60.0°
OAKCAHCAIH2360.0°60.0°
OAKCAHCAIH2460.0°180.0°
OAKCAHCAJH2565.8°60.0°
OAKCAHCAJH26174.2°60.0°
OAKCAHCAJH2754.1°180.0°
CAJCAHCAECAF108.0°150.0°
CAJCAHCAECAD69.6°30.1°
CAJCAHCAIH2267.6°60.0°
CAJCAHCAIH23172.3°180.0°
CAJCAHCAIH2452.4°60.0°
CAHCAJH25H26120.0°120.0°
CAHCAJH25H27120.0°120.0°
CAHCAJH26H27120.0°120.0°
CAJCAHOAKH2867.2°60.0°
CAHCAECAFCAD177.8°179.9°
CAHCAECAFCAA179.2°180.0°
CAHCAECADCAC178.8°180.0°
CAHCAECAFH210.9°0.1°
CAECAHCAIH2252.2°180.0°
CAECAHCAIH2367.8°60.0°
CAECAHCAIH24172.2°60.0°
CAECAHCAJH2556.8°60.0°
CAECAHCAJH2663.2°180.0°
CAECAHCAJH27176.8°60.0°
CAECAHOAKH2852.1°60.0°
CAHCAECADH291.2°0.1°
CAECAFCAAH21180.0°179.9°
CAFCAECADCAC1.0°0.1°
CAECAFCAACAU179.1°179.9°
CAECAFCAACAB1.6°0.2°
CAFCAECADH29179.0°180.0°
CADCAECAFCAA1.4°0.1°
CAECADCACH29180.0°179.9°
CAECADCACCAB0.8°0.3°
CADCAECAFH21178.6°180.0°
CAECADCACH30179.2°179.9°
CAFCAACAUCAB177.4°179.8°
CAFCAACABCAC1.2°0.4°
CAFCAACAUCAV116.7°74.8°
CAFCAACAUCAZ62.0°105.4°
CAFCAACABOAG179.1°179.7°
CADCACCABCAA0.9°0.5°
CADCACCABH30180.0°179.8°
CADCACCABOAG179.5°179.7°
OCNBFCA176.5°179.9°
OCCAN11.1°0.0°
OCNBFCBH2.8°0.1°
OCNBFH13177.2°180.0°
OCCAH14131.6°120.0°
OCCAH15109.5°120.0°
CBICBJCBKH4120.0°120.0°
CBICBJCBKH5120.0°120.0°
CBJCBICBHH2120.2°120.0°
CBJCBICBHH3120.2°120.0°
CBJCBICBHNBF171.7°180.0°
CBJCBICBHCBM54.9°60.0°
CBICBJCBKOBN179.4°180.0°
CBICBJCBKCBL56.1°60.0°
CBJCBIH2H3119.4°120.0°
CBICBJH4H5120.1°120.0°
CBICBJCBKH661.6°60.0°
CBJCBICBHH1265.9°60.0°
CBKCBJCBICBH51.2°60.0°
CBJCBKOBNCBL125.6°120.0°
CBJCBKOBNH6117.8°120.0°
CBJCBKCBLH6117.1°120.0°
CBJCBKCBLCBM60.4°60.0°
CBKCBJCBIH2171.4°180.0°
CBKCBJCBIH369.0°60.0°
CBKCBJH4H5120.1°120.0°
CBJCBKOBNH7180.0°180.0°
CBJCBKCBLH8179.8°180.0°
CBJCBKCBLH959.4°60.0°
CAUCAACABCAC178.6°179.7°
CAACAUCAVN0.5°0.0°
CAACAUCAVCAZ178.7°179.8°
CAACAUCAVCAW179.1°179.7°
CAUCAACABOAG1.7°0.1°
CAACAUCAZNAY179.6°179.8°
CAACAUCAZH200.4°0.1°
CAUCAACAFH211.0°0.0°
CAACABCACOAG179.7°179.9°
CABCAACAUCAV65.9°105.1°
CABCAACAUCAZ115.4°74.8°
CAACABOAGCAL169.4°179.9°
CABCAACAFH21178.5°179.8°
CAACABCACH30179.1°179.8°
CACCABOAGCAL10.9°0.2°
CABCACCADH29179.2°179.8°
NBFCCAN172.4°180.0°
CNBFCBHCBI127.9°155.0°
CNBFCBHH13180.0°180.0°
CNBFCBHCBM110.6°85.0°
CNBFCBHH126.3°35.1°
NBFCCAH1451.9°60.0°
NBFCCAH1567.0°60.0°
CCANCAV171.4°180.0°
CCANH14120.6°120.0°
CCANH15120.5°120.0°
CACNBFCBH173.6°180.0°
CCANH149.3°0.2°
CACNBFH136.4°0.0°
CCAH14H15118.4°120.0°
CAVNCAH1122.1°179.8°
NCAVCAUCAW178.6°179.7°
NCAVCAUCAZ178.2°179.8°
NCAVCAWCAX180.0°180.0°
CAVNCAH1450.9°60.0°
CAVNCAH1568.1°60.0°
NCAVCAWH160.0°0.1°
CANCAVCAU132.5°179.7°
CANCAVCAW49.0°0.0°
NCAH14H15118.3°120.0°
CBICBHNBFCBM121.5°120.0°
CBICBHNBFH12121.7°119.9°
CBICBHCBMH12120.8°119.9°
CBICBHCBMCBL59.7°60.0°
CBHCBIH2H3119.4°120.0°
CBHCBICBJH4171.2°180.0°
CBHCBICBJH568.8°60.0°
CBICBHCBMH10179.9°60.0°
CBICBHCBMH1160.4°180.0°
CBICBHNBFH1352.1°25.0°
NBFCBHCBMH12117.7°120.1°
NBFCBHCBMCBL178.7°180.0°
NBFCBHCBIH268.1°60.0°
NBFCBHCBIH351.5°60.0°
NBFCBHCBMH1058.6°59.9°
NBFCBHCBMH1161.1°60.0°
CBHCBMCBLCBK61.1°60.0°
CBHCBMCBLH10120.1°120.0°
CBHCBMCBLH11120.1°120.0°
CBMCBHCBIH2175.0°180.0°
CBMCBHCBIH365.4°60.0°
CBHCBMCBLH8179.1°180.0°
CBHCBMCBLH958.6°60.0°
CBHCBMH10H11119.6°120.0°
CBMCBHNBFH1369.4°95.0°
CAVCAUCAZNAY1.6°0.3°
CAUCAVCAWCAX1.4°0.3°
CAUCAVNH1105.5°0.0°
CAUCAVCAWH16178.6°179.8°
CAVCAUCAZH20178.5°179.7°
CAZCAUCAVCAW0.4°0.4°
CAUCAZNAYH20180.0°179.9°
CAUCAZNAYCAX1.0°0.1°
CAUCAZNAYCBC178.0°179.8°
CAVCAWCAXH16180.0°179.9°
CAVCAWCAXNAY2.0°0.0°
CAVCAWCAXOBA179.0°180.0°
CAWCAVNH173.1°179.8°
CABOAGCALCAM85.3°89.7°
CABOAGCALCAQ94.4°90.0°
OAGCABCACH300.5°0.1°
OBNCBKCBLH6117.2°120.0°
OBNCBKCBLCBM173.9°180.0°
OBNCBKCBJH460.6°60.0°
OBNCBKCBJH559.4°60.0°
OBNCBKCBLH854.1°60.0°
OBNCBKCBLH966.4°60.0°
CAZNAYCAXCAW0.8°0.1°
CAZNAYCAXCBC179.0°179.9°
CAZNAYCAXOBA179.8°179.9°
CAZNAYCBCH17180.0°179.9°
CAZNAYCBCH1860.0°59.9°
CAZNAYCBCH1960.0°60.1°
CBKCBLCBMH8119.8°120.0°
CBKCBLCBMH9119.8°120.0°
CBLCBKCBJH4176.0°180.0°
CBLCBKCBJH563.9°60.0°
CBLCBKOBNH754.4°60.0°
CBKCBLH8H9120.7°120.0°
CBKCBLCBMH10178.7°60.0°
CBKCBLCBMH1159.0°180.0°
CBMCBLCBKH656.7°60.0°
CBMCBLH8H9120.7°120.0°
CBLCBMH10H11119.6°120.0°
CBLCBMCBHH1261.0°60.0°
CAWCAXNAYOBA179.1°180.0°
CAWCAXNAYCBC179.7°179.9°
CARCAMCALOAG1.4°0.0°
CARCAMCALCAN179.3°180.0°
CARCAMCALCAQ178.9°179.7°
CARCAMCANCAO177.0°180.0°
CAMCARH31H32120.0°120.0°
CAMCARH31H33120.0°120.0°
CAMCARH32H33120.0°120.0°
CARCAMCANH343.0°0.0°
NAYCAXCAWH16178.0°179.9°
CAXNAYCBCH171.0°0.0°
CAXNAYCBCH18119.0°119.9°
CAXNAYCBCH19121.0°120.1°
CAXNAYCAZH20179.0°180.0°
CBCNAYCAXOBA1.2°0.0°
NAYCBCH17H18120.0°120.0°
NAYCBCH17H19120.0°120.1°
NAYCBCH18H19120.0°120.0°
CBCNAYCAZH202.0°0.1°
OBACAXCAWH161.0°0.1°
OAGCALCAMCAQ179.7°179.7°
OAGCALCAMCAN179.3°180.0°
OAGCALCAQCAS1.4°0.1°
OAGCALCAQCAP179.6°179.8°
CALCAMCANCAO2.3°0.0°
CAMCALCAQCAS179.0°179.7°
CAMCALCAQCAP0.8°0.6°
CALCAMCARH3190.4°90.0°
CALCAMCARH32149.6°150.0°
CALCAMCARH3329.6°30.0°
CALCAMCANH34177.7°179.9°
CANCAMCALCAQ0.4°0.3°
CAMCANCAOH34180.0°180.0°
CAMCANCAOCAP3.0°0.0°
CAMCANCAOFAT179.1°180.0°
CANCAMCARH3190.4°90.0°
CANCAMCARH3229.7°30.0°
CANCAMCARH33149.7°150.0°
CALCAQCASCAP178.3°179.7°
CALCAQCAPCAO0.0°0.5°
CALCAQCAPH35180.0°179.7°
CALCAQCASH3689.0°89.9°
CALCAQCASH37151.0°150.1°
CALCAQCASH3831.0°30.0°
CANCAOCAPCAQ1.9°0.2°
CANCAOCAPFAT177.8°180.0°
CANCAOCAPH35178.1°180.0°
CASCAQCAPCAO178.4°179.8°
CASCAQCAPH351.6°0.0°
CAQCASH36H37120.0°120.0°
CAQCASH36H38120.0°120.0°
CAQCASH37H38120.0°120.0°
CAQCAPCAOH35180.0°179.8°
CAQCAPCAOFAT179.7°179.7°
CAPCAQCASH3689.3°89.8°
CAPCAQCASH3730.7°30.2°
CAPCAQCASH38150.7°150.2°
CAPCAOCANH34176.9°180.0°
FATCAOCANH340.9°0.0°
FATCAOCAPH350.3°0.1°
H1NCAH1471.2°119.8°
H1NCAH15169.9°120.2°
H2CBICBJH468.6°60.0°
H2CBICBJH551.4°60.0°
H2CBICBHH1254.3°60.0°
H3CBICBJH451.0°60.0°
H3CBICBJH5171.0°180.0°
H3CBICBHH12173.8°180.0°
H4CBJCBKH658.4°60.0°
H5CBJCBKH6178.4°NaN°
H6CBKOBNH762.2°60.0°
H6CBKCBLH863.1°60.0°
H6CBKCBLH9176.5°180.0°
H8CBLCBMH1059.0°60.0°
H8CBLCBMH1160.8°60.0°
H9CBLCBMH1061.5°180.0°
H9CBLCBMH11178.8°60.0°
H10CBMCBHH1259.1°180.0°
H11CBMCBHH12178.8°60.1°
H12CBHNBFH13173.7°145.0°
H17CBCH18H19120.0°120.0°
H22CAIH23H24120.0°120.0°
H25CAJH26H27120.0°120.0°
H29CADCACH300.8°0.0°
H31CARH32H33120.0°120.0°
H36CASH37H38120.0°120.0°

222624

PDB entries from 2024-07-17

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