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HX7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAOsing1.53Å1.54Å
CABSBEsing1.81Å1.82Å
CAOCAPsing1.53Å1.54Å
CAPCARsing1.53Å1.53Å
CAUNBDsing1.47Å1.47Å
CAUCBCsing1.53Å1.54Å
NBDCARsing1.47Å1.45Å
NBDCASsing1.47Å1.47Å
SBEOACdoub1.42Å1.47Å
SBEOADdoub1.42Å1.47Å
SBENAVsing1.66Å1.72Å
CAKCAMdoub1.38Å1.40ÅAromatic
CAKCBAsing1.39Å1.39ÅAromatic
CAMCBBsing1.39Å1.39ÅAromatic
CATCBCsing1.53Å1.54Å
CATOAWsing1.43Å1.41Å
CASCAQsing1.53Å1.53Å
CBCOAEsing1.43Å1.38Å
CAQCAXsing1.51Å1.55Å
NAVCBAsing1.40Å1.47Å
CAHCAXdoub1.38Å1.39ÅAromatic
CAHCAIsing1.38Å1.40ÅAromatic
CBACAJdoub1.39Å1.39ÅAromatic
CAXCANsing1.38Å1.39ÅAromatic
CAICAYdoub1.38Å1.38ÅAromatic
CBBOAWsing1.36Å1.44Å
CBBCALdoub1.39Å1.39ÅAromatic
CANCAZdoub1.38Å1.39ÅAromatic
CAYCL2sing1.74Å1.79Å
CAYCAZsing1.39Å1.38ÅAromatic
CAZCL1sing1.74Å1.77Å
CAJCALsing1.38Å1.39ÅAromatic
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
NAVH4sing0.97Å1.00Å
CAKH5sing1.08Å1.08Å
CAMH6sing1.08Å1.08Å
CAJH7sing1.08Å1.08Å
CALH8sing1.08Å1.08Å
CATH9sing1.09Å1.10Å
CATH10sing1.09Å1.10Å
CBCH11sing1.09Å1.10Å
OAEH12sing0.97Å0.95Å
CAUH13sing1.09Å1.10Å
CAUH14sing1.09Å1.10Å
CARH16sing1.09Å1.10Å
CARH17sing1.09Å1.10Å
CAPH18sing1.09Å1.10Å
CAPH19sing1.09Å1.10Å
CAOH20sing1.09Å1.10Å
CAOH21sing1.09Å1.10Å
CAAH22sing1.09Å1.10Å
CAAH23sing1.09Å1.10Å
CAAH24sing1.09Å1.10Å
CASH25sing1.09Å1.10Å
CASH26sing1.09Å1.10Å
CAQH27sing1.09Å1.10Å
CAQH28sing1.09Å1.10Å
CANH29sing1.08Å1.08Å
CAIH30sing1.08Å1.08Å
CAHH31sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAOCAP109.4°109.5°
CAACAOH20109.5°109.5°
CAACAOH21109.5°109.5°
CAOCAAH22109.5°109.4°
CAOCAAH23109.5°109.5°
CAOCAAH24109.5°109.5°
CABSBEOAC111.3°110.6°
CABSBEOAD111.0°110.6°
CABSBENAV110.5°104.5°
SBECABH1109.5°109.5°
SBECABH2109.5°109.5°
SBECABH3109.5°109.4°
CAOCAPCAR109.5°109.5°
CAOCAPH18109.4°109.5°
CAOCAPH19109.5°109.5°
CAPCAOH20109.5°109.5°
CAPCAOH21109.5°109.4°
CAPCARNBD109.4°109.5°
CAPCARH16109.5°109.5°
CAPCARH17109.5°109.4°
CARCAPH18109.5°109.5°
CARCAPH19109.5°109.5°
NBDCAUCBC111.3°109.5°
CAUNBDCAR109.6°111.0°
CAUNBDCAS111.1°111.0°
NBDCAUH13109.0°109.5°
NBDCAUH14109.0°109.5°
CAUCBCCAT109.1°109.5°
CAUCBCOAE110.5°109.5°
CAUCBCH11108.6°109.4°
CBCCAUH13109.0°109.4°
CBCCAUH14109.0°109.5°
CARNBDCAS109.6°111.0°
NBDCARH16109.5°109.4°
NBDCARH17109.5°109.5°
NBDCASCAQ110.6°109.5°
NBDCASH25109.2°109.5°
NBDCASH26109.2°109.5°
OACSBEOAD101.3°121.0°
OACSBENAV111.2°104.2°
OADSBENAV111.2°104.3°
SBENAVCBA120.2°120.0°
SBENAVH4106.7°120.0°
CAMCAKCBA120.0°120.0°
CAKCAMCBB119.8°120.0°
CAMCAKH5120.0°120.0°
CAKCAMH6120.1°120.0°
CAKCBANAV120.2°120.0°
CAKCBACAJ120.0°120.0°
CBACAKH5120.0°120.0°
CAMCBBOAW120.2°120.0°
CAMCBBCAL119.8°120.0°
CBBCAMH6120.1°120.0°
CBCCATOAW108.9°109.4°
CATCBCOAE109.2°109.5°
CBCCATH9109.6°109.5°
CBCCATH10109.6°109.5°
CATCBCH11108.6°109.5°
CATOAWCBB114.9°117.0°
OAWCATH9109.6°109.4°
OAWCATH10109.6°109.5°
CASCAQCAX109.9°109.5°
CAQCASH25109.2°109.4°
CAQCASH26109.2°109.4°
CASCAQH27109.4°109.5°
CASCAQH28109.4°109.5°
OAECBCH11110.8°109.5°
CBCOAEH12109.5°114.0°
CAQCAXCAH120.4°119.9°
CAQCAXCAN119.8°120.0°
CAXCAQH27109.4°109.4°
CAXCAQH28109.3°109.5°
NAVCBACAJ119.8°120.1°
CBANAVH4106.7°120.0°
CAXCAHCAI120.0°120.0°
CAHCAXCAN119.5°120.0°
CAXCAHH31120.0°120.0°
CAHCAICAY119.7°120.1°
CAHCAIH30120.1°120.0°
CAICAHH31120.0°120.0°
CBACAJCAL120.0°120.0°
CBACAJH7120.0°120.0°
CAXCANCAZ119.8°120.1°
CAXCANH29120.1°120.0°
CAICAYCL2120.7°120.0°
CAICAYCAZ120.2°120.0°
CAYCAIH30120.1°120.0°
OAWCBBCAL119.3°119.9°
CBBCALCAJ120.1°120.0°
CBBCALH8119.9°120.0°
CANCAZCAY120.5°119.9°
CANCAZCL1120.2°120.0°
CAZCANH29120.1°120.0°
CL2CAYCAZ119.0°120.0°
CAYCAZCL1118.8°120.0°
CALCAJH7120.0°120.0°
CAJCALH8120.0°120.0°
H1CABH2109.5°109.5°
H1CABH3109.4°109.5°
H2CABH3109.5°109.4°
H9CATH10109.5°109.5°
H13CAUH14109.5°109.4°
H16CARH17109.5°109.5°
H18CAPH19109.4°109.4°
H20CAOH21109.5°109.5°
H22CAAH23109.5°109.5°
H22CAAH24109.4°109.5°
H23CAAH24109.5°109.5°
H25CASH26109.5°109.5°
H27CAQH28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAOCAPH20120.0°120.0°
CAACAOCAPH21120.0°120.0°
CAACAOCAPCAR174.9°NaN°
CAACAOCAPH1865.1°60.0°
CAACAOCAPH1954.8°60.0°
CAACAOH20H21120.0°120.0°
CAOCAAH22H23120.0°120.0°
CAOCAAH22H24120.0°120.0°
CAOCAAH23H24120.0°120.0°
CABSBEOACOAD118.0°131.6°
CABSBEOACNAV123.7°111.7°
CABSBEOADNAV123.5°111.8°
CABSBENAVCBA55.6°62.6°
SBECABH1H2120.0°120.0°
SBECABH1H3120.0°120.0°
SBECABH2H3120.0°119.9°
CABSBENAVH4177.1°117.3°
CAOCAPCARH18120.0°120.0°
CAOCAPCARH19120.0°120.1°
CAOCAPCARNBD150.8°175.4°
CAOCAPCARH1630.8°64.6°
CAOCAPCARH1789.2°55.4°
CAOCAPH18H19120.0°120.0°
CAPCAOH20H21120.0°119.9°
CAPCAOCAAH22180.0°60.0°
CAPCAOCAAH2360.0°60.0°
CAPCAOCAAH2460.0°180.0°
CAPCARNBDCAU145.9°56.1°
CAPCARNBDH16120.0°120.0°
CAPCARNBDH17120.0°120.0°
CAPCARNBDCAS91.9°67.8°
CAPCARH16H17120.0°120.0°
CARCAPH18H19120.0°120.0°
CARCAPCAOH2054.9°60.0°
CARCAPCAOH2165.1°60.0°
NBDCAUCBCH13120.3°120.0°
NBDCAUCBCH14120.3°120.0°
CAUNBDCARCAS122.2°123.9°
NBDCAUCBCCAT150.4°175.6°
CAUNBDCASCAQ15.1°170.0°
NBDCAUCBCOAE30.4°64.4°
NBDCAUCBCH1191.3°55.6°
NBDCAUH13H14119.2°120.0°
CAUNBDCARH1625.9°63.8°
CAUNBDCARH1794.1°176.1°
CAUNBDCASH25105.1°50.0°
CAUNBDCASH26135.3°70.1°
CBCCAUNBDCAR61.6°67.0°
CBCCAUNBDCAS59.6°169.1°
CAUCBCCATOAE120.8°120.0°
CAUCBCCATH11118.3°120.0°
CAUCBCCATOAW180.0°175.0°
CAUCBCOAEH11120.5°120.0°
CAUCBCCATH960.1°65.1°
CAUCBCCATH1060.1°55.0°
CAUCBCOAEH12180.0°60.0°
CBCCAUH13H14119.1°120.0°
CARNBDCASCAQ136.4°66.0°
CARNBDCAUH13178.1°173.0°
CARNBDCAUH1458.7°53.0°
NBDCARH16H17120.0°120.1°
NBDCARCAPH1889.2°55.4°
NBDCARCAPH1930.8°64.5°
CARNBDCASH2516.2°174.0°
CARNBDCASH26103.5°53.9°
NBDCASCAQH25120.1°120.0°
NBDCASCAQH26120.2°120.0°
NBDCASCAQCAX146.9°180.0°
CASNBDCAUH1360.6°49.1°
CASNBDCAUH14179.9°70.9°
CASNBDCARH16148.1°172.2°
CASNBDCARH1728.1°52.2°
NBDCASH25H26119.5°120.1°
NBDCASCAQH2726.8°60.0°
NBDCASCAQH2893.1°60.0°
OACSBEOADNAV118.3°116.7°
OACSBENAVCBA179.7°178.7°
OACSBECABH1180.0°54.3°
OACSBECABH260.0°174.3°
OACSBECABH360.0°65.8°
OACSBENAVH458.8°1.2°
OADSBENAVCBA68.2°53.5°
OADSBECABH168.0°169.0°
OADSBECABH2172.0°48.9°
OADSBECABH352.0°71.0°
OADSBENAVH453.3°126.6°
SBENAVCBACAK75.2°75.2°
SBENAVCBAH4121.5°179.9°
SBENAVCBACAJ107.5°104.6°
NAVSBECABH155.9°57.3°
NAVSBECABH264.1°62.7°
NAVSBECABH3175.9°177.4°
CAMCAKCBAH5180.0°180.0°
CAKCAMCBBH6180.0°180.0°
CAMCAKCBANAV178.3°180.0°
CAMCAKCBACAJ1.0°0.2°
CAKCAMCBBOAW175.9°179.9°
CAKCAMCBBCAL5.3°0.3°
CBACAKCAMCBB3.7°0.0°
CAKCBANAVCAJ177.3°179.8°
CAKCBACAJCAL4.0°0.2°
CAKCBANAVH4163.3°104.9°
CBACAKCAMH6176.4°180.0°
CAKCBACAJH7176.0°179.7°
CAMCBBOAWCAT27.9°180.0°
CAMCBBOAWCAL170.6°179.8°
CAMCBBCALCAJ2.3°0.3°
CBBCAMCAKH5176.4°180.0°
CAMCBBCALH8177.7°179.7°
CBCCATOAWH9119.9°120.0°
CBCCATOAWH10119.9°120.0°
CATCBCOAEH11119.6°120.0°
CBCCATOAWCBB165.5°180.0°
CBCCATH9H10120.3°120.1°
CATCBCOAEH1260.0°60.0°
CATCBCCAUH1389.3°64.4°
CATCBCCAUH1430.1°55.6°
OAWCATCBCOAE59.1°65.0°
CATOAWCBBCAL161.5°0.3°
OAWCATH9H10120.2°120.0°
OAWCATCBCH1161.7°55.0°
CASCAQCAXH27120.1°119.9°
CASCAQCAXH28120.1°120.1°
CASCAQCAXCAH8.1°90.3°
CASCAQCAXCAN178.2°90.0°
CAQCASH25H26119.5°119.9°
CASCAQH27H28119.8°120.0°
OAECBCCATH9179.1°54.9°
OAECBCCATH1060.8°175.0°
OAECBCCAUH13150.7°55.7°
OAECBCCAUH1489.9°175.6°
CAQCAXCAHCAN173.7°179.7°
CAQCAXCAHCAI172.7°179.8°
CAQCAXCANCAZ174.0°180.0°
CAXCAQCASH2593.0°60.0°
CAXCAQCASH2626.7°60.0°
CAXCAQH27H28119.8°120.0°
CAQCAXCANH296.0°0.0°
CAQCAXCAHH317.3°0.0°
NAVCBACAJCAL178.7°180.0°
NAVCBACAKH51.7°0.0°
NAVCBACAJH71.3°0.1°
CAXCAHCAIH31180.0°179.8°
CAXCAHCAICAY0.8°0.5°
CAHCAXCANCAZ0.3°0.3°
CAHCAXCAQH27111.9°149.8°
CAHCAXCAQH28128.2°29.8°
CAHCAXCANH29179.7°179.8°
CAXCAHCAIH30179.2°179.8°
CAICAHCAXCAN1.0°0.5°
CAHCAICAYH30180.0°179.7°
CAHCAICAYCL2171.1°179.7°
CAHCAICAYCAZ3.9°0.3°
CBACAJCALCBB2.3°0.0°
CBACAJCALH7180.0°180.0°
CAJCBANAVH414.0°75.3°
CAJCBACAKH5179.0°179.7°
CBACAJCALH8177.7°180.0°
CAXCANCAZH29180.0°180.0°
CAXCANCAZCAY3.4°0.0°
CAXCANCAZCL1175.1°180.0°
CANCAXCAQH2761.7°30.0°
CANCAXCAQH2858.1°150.0°
CANCAXCAHH31179.0°179.7°
CAICAYCAZCAN5.2°0.1°
CAICAYCL2CAZ175.0°180.0°
CAICAYCAZCL1177.0°180.0°
CAYCAICAHH31179.2°179.7°
OAWCBBCALCAJ173.0°179.9°
OAWCBBCAMH64.1°0.1°
OAWCBBCALH87.0°0.1°
CBBOAWCATH974.6°60.0°
CBBOAWCATH1045.6°60.0°
CBBCALCAJH8180.0°180.0°
CALCBBCAMH6174.7°179.7°
CBBCALCAJH7177.7°180.0°
CANCAZCAYCL2169.9°179.9°
CANCAZCAYCL1171.8°179.9°
CL2CAYCAZCL12.0°0.0°
CL2CAYCAIH308.9°0.0°
CAYCAZCANH29176.6°180.0°
CAZCAYCAIH30176.1°180.0°
CL1CAZCANH294.9°0.1°
H1CABH2H3120.0°120.0°
H5CAKCAMH63.6°0.0°
H7CAJCALH82.3°0.0°
H9CATCBCH1158.2°175.0°
H10CATCBCH11178.3°65.0°
H11CBCOAEH1259.5°180.0°
H11CBCCAUH1329.0°175.7°
H11CBCCAUH14148.4°64.4°
H16CARCAPH18150.8°175.4°
H16CARCAPH1989.2°55.4°
H17CARCAPH1830.8°64.6°
H17CARCAPH19150.8°175.5°
H18CAPCAOH20174.9°180.0°
H18CAPCAOH2154.9°60.0°
H19CAPCAOH2065.1°60.1°
H19CAPCAOH21174.8°180.0°
H20CAOCAAH2260.0°180.0°
H20CAOCAAH2360.0°60.0°
H20CAOCAAH24180.0°60.0°
H21CAOCAAH2260.0°60.0°
H21CAOCAAH23180.0°180.0°
H21CAOCAAH2460.0°60.0°
H22CAAH23H24120.0°120.0°
H25CASCAQH27147.0°180.0°
H25CASCAQH2827.1°60.0°
H26CASCAQH2793.4°60.0°
H26CASCAQH28146.7°180.0°
H30CAICAHH310.8°0.0°

222624

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