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91H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAWCAVdoub1.21Å1.25Å
OAXCAVsing1.34Å1.25Å
CAVCAUsing1.51Å1.55Å
CAUCAYsing1.53Å1.54Å
CAUCATsing1.53Å1.55Å
CAYCAZsing1.53Å1.53Å
CATCASsing1.53Å1.54Å
CAZCARsing1.53Å1.53Å
CARCASsing1.53Å1.51Å
CARNAQsing1.46Å1.47Å
OBACAPdoub1.22Å1.23Å
NAQCAPsing1.35Å1.34Å
CAPCAOsing1.48Å1.38Å
CBBCAOdoub1.40Å1.39ÅAromatic
CBBCAKsing1.39Å1.36ÅAromatic
CAOCANsing1.40Å1.38ÅAromatic
NAJCAKsing1.40Å1.38Å
NAJCAIsing1.38Å1.34Å
NAHCAIdoub1.30Å1.34ÅAromatic
NAHCAGsing1.31Å1.37ÅAromatic
CAKCALdoub1.39Å1.40ÅAromatic
CAISBCsing1.71Å1.74ÅAromatic
CANCAMdoub1.38Å1.38ÅAromatic
CAGCAFdoub1.37Å1.38ÅAromatic
CALCAMsing1.38Å1.40ÅAromatic
SBCCAFsing1.76Å1.74ÅAromatic
CAFCAEsing1.46Å1.37Å
CAENADsing1.35Å1.37Å
CAEOBDdoub1.22Å1.23Å
CLACABsing1.74Å1.73Å
NADCACsing1.40Å1.37Å
CACCABdoub1.39Å1.40ÅAromatic
CACCBEsing1.39Å1.41ÅAromatic
CABCBIsing1.38Å1.41ÅAromatic
CBFCBEsing1.51Å1.42Å
CBECBGdoub1.38Å1.39ÅAromatic
CBICBHdoub1.38Å1.39ÅAromatic
CBGCBHsing1.38Å1.40ÅAromatic
CASH1sing1.09Å1.10Å
CASH2sing1.09Å1.10Å
CATH3sing1.09Å1.10Å
CATH4sing1.09Å1.10Å
CAUH5sing1.09Å1.10Å
OAXH6sing0.97Å0.95Å
CAYH7sing1.09Å1.10Å
CAYH8sing1.09Å1.10Å
CAZH9sing1.09Å1.10Å
CAZH10sing1.09Å1.10Å
CARH11sing1.09Å1.10Å
NAQH12sing0.97Å1.00Å
CBBH13sing1.08Å1.08Å
CANH14sing1.08Å1.08Å
CAMH15sing1.08Å1.08Å
CALH16sing1.08Å1.08Å
NAJH17sing0.97Å1.00Å
CAGH18sing1.08Å1.08Å
NADH19sing0.97Å1.00Å
CBIH20sing1.08Å1.08Å
CBHH21sing1.08Å1.08Å
CBGH22sing1.08Å1.08Å
CBFH23sing1.09Å1.10Å
CBFH24sing1.09Å1.10Å
CBFH25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAWCAVOAX125.5°120.0°
OAWCAVCAU116.4°120.0°
OAXCAVCAU118.0°120.0°
CAVOAXH6109.5°117.0°
CAVCAUCAY112.2°109.5°
CAVCAUCAT112.9°109.4°
CAVCAUH5106.8°109.5°
CAYCAUCAT110.9°109.5°
CAUCAYCAZ113.8°109.5°
CAYCAUH5106.9°109.5°
CAUCAYH7108.4°109.5°
CAUCAYH8108.4°109.5°
CAUCATCAS112.5°109.5°
CAUCATH3108.7°109.5°
CAUCATH4108.7°109.5°
CATCAUH5106.7°109.5°
CAYCAZCAR111.6°109.5°
CAZCAYH7108.4°109.5°
CAZCAYH8108.4°109.5°
CAYCAZH9108.9°109.4°
CAYCAZH10108.9°109.5°
CATCASCAR108.4°109.5°
CATCASH1109.7°109.4°
CATCASH2109.8°109.4°
CASCATH3108.7°109.5°
CASCATH4108.7°109.5°
CAZCARCAS109.7°109.5°
CAZCARNAQ107.2°109.5°
CARCAZH9108.9°109.5°
CARCAZH10108.9°109.5°
CAZCARH11109.0°109.5°
CASCARNAQ111.8°109.5°
CARCASH1109.7°109.5°
CARCASH2109.7°109.5°
CASCARH11109.3°109.4°
CARNAQCAP123.7°120.0°
NAQCARH11109.9°109.5°
CARNAQH12118.2°120.0°
OBACAPNAQ125.3°120.0°
OBACAPCAO122.0°120.0°
NAQCAPCAO112.5°120.0°
CAPNAQH12118.1°120.0°
CAPCAOCBB116.9°120.1°
CAPCAOCAN122.6°120.2°
CAOCBBCAK121.0°119.7°
CBBCAOCAN120.5°119.8°
CAOCBBH13119.5°120.1°
CBBCAKNAJ114.6°120.0°
CBBCAKCAL118.8°120.0°
CAKCBBH13119.5°120.2°
CAOCANCAM119.6°120.0°
CAOCANH14120.2°120.0°
CAKNAJCAI122.7°120.0°
NAJCAKCAL126.4°120.0°
CAKNAJH17118.7°120.0°
NAJCAINAH123.6°124.7°
NAJCAISBC125.4°124.7°
CAINAJH17118.7°120.1°
CAINAHCAG113.7°117.3°
NAHCAISBC110.9°110.5°
NAHCAGCAF115.2°114.0°
NAHCAGH18122.4°123.0°
CAKCALCAM120.6°120.2°
CAKCALH16119.7°119.9°
CAISBCCAF91.8°90.4°
CANCAMCAL119.4°120.2°
CAMCANH14120.2°120.0°
CANCAMH15120.2°119.9°
CAGCAFSBC108.2°107.8°
CAGCAFCAE131.6°126.1°
CAFCAGH18122.4°123.0°
CALCAMH15120.3°119.9°
CAMCALH16119.7°119.9°
SBCCAFCAE120.0°126.1°
CAFCAENAD121.5°120.0°
CAFCAEOBD117.4°120.0°
NADCAEOBD121.1°120.0°
CAENADCAC121.9°120.0°
CAENADH19119.0°120.0°
CLACABCAC121.7°120.0°
CLACABCBI118.4°120.0°
NADCACCAB119.5°120.1°
NADCACCBE120.8°120.1°
CACNADH19119.0°120.0°
CABCACCBE119.6°119.8°
CACCABCBI119.9°119.9°
CACCBECBF121.7°120.0°
CACCBECBG120.0°120.0°
CABCBICBH120.2°120.0°
CABCBIH20119.9°120.0°
CBFCBECBG118.3°120.1°
CBECBFH23109.5°109.4°
CBECBFH24109.5°109.5°
CBECBFH25109.5°109.5°
CBECBGCBH120.7°120.1°
CBECBGH22119.6°120.0°
CBICBHCBG119.6°120.2°
CBHCBIH20119.9°120.0°
CBICBHH21120.2°119.9°
CBGCBHH21120.2°119.9°
CBHCBGH22119.7°119.9°
H1CASH2109.5°109.4°
H3CATH4109.5°109.5°
H7CAYH8109.4°109.5°
H9CAZH10109.5°109.5°
H23CBFH24109.5°109.4°
H23CBFH25109.5°109.5°
H24CBFH25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAWCAVOAXCAU176.7°180.0°
OAWCAVCAUCAY168.3°0.0°
OAWCAVCAUCAT65.4°120.0°
OAWCAVCAUH551.5°120.0°
OAWCAVOAXH60.0°0.0°
OAXCAVCAUCAY8.7°180.0°
OAXCAVCAUCAT117.6°60.0°
OAXCAVCAUH5125.5°60.0°
CAVCAUCAYCAT127.3°120.0°
CAVCAUCAYH5116.7°120.0°
CAVCAUCATH5117.0°120.0°
CAVCAUCAYCAZ71.1°180.0°
CAVCAUCATCAS107.7°180.0°
CAVCAUCATH3131.8°60.0°
CAVCAUCATH412.7°60.0°
CAUCAVOAXH6176.8°180.0°
CAVCAUCAYH749.5°60.0°
CAVCAUCAYH8168.2°60.0°
CAYCAUCATH5116.0°120.0°
CAUCAYCAZH7120.7°120.0°
CAUCAYCAZH8120.6°120.0°
CAYCAUCATCAS19.2°60.0°
CAUCAYCAZCAR27.9°60.0°
CAYCAUCATH3101.3°60.0°
CAYCAUCATH4139.7°180.0°
CAUCAYH7H8118.0°120.0°
CAUCAYCAZH992.5°180.0°
CAUCAYCAZH10148.2°60.0°
CATCAUCAYCAZ56.2°60.0°
CAUCATCASH3120.4°120.0°
CAUCATCASH4120.5°120.0°
CAUCATCASCAR41.4°60.0°
CAUCATCASH178.4°60.1°
CAUCATCASH2161.3°180.0°
CAUCATH3H4118.6°120.0°
CATCAUCAYH7176.8°60.0°
CATCAUCAYH864.5°180.0°
CAYCAZCARH9120.3°120.0°
CAYCAZCARH10120.3°120.0°
CAYCAZCARCAS34.6°60.0°
CAYCAZCARNAQ156.1°180.0°
CAZCAYCAUH5172.1°60.0°
CAZCAYH7H8118.1°120.0°
CAYCAZH9H10119.0°120.0°
CAYCAZCARH1185.0°60.0°
CATCASCARCAZ71.5°60.0°
CATCASCARH1119.8°120.0°
CATCASCARH2119.9°120.0°
CATCASCARNAQ169.8°180.0°
CATCASH1H2120.5°119.9°
CASCATH3H4118.6°120.0°
CASCATCAUH5135.3°60.0°
CATCASCARH1148.0°60.0°
CAZCARCASNAQ118.7°120.0°
CAZCARCASH11119.5°120.0°
CAZCARNAQH11118.4°120.0°
CAZCARNAQCAP150.1°155.0°
CAZCARCASH148.3°60.0°
CAZCARCASH2168.7°180.0°
CARCAZCAYH7148.5°60.0°
CARCAZCAYH892.8°180.0°
CARCAZH9H10119.0°120.0°
CAZCARNAQH1229.9°25.0°
CASCARNAQH11121.4°120.0°
CASCARNAQCAP89.7°84.9°
CARCASH1H2120.5°120.1°
CARCASCATH3161.9°60.0°
CARCASCATH479.0°180.0°
CASCARCAZH9154.9°180.0°
CASCARCAZH1085.8°60.0°
CASCARNAQH1290.3°95.0°
CARNAQCAPOBA2.3°0.0°
CARNAQCAPH12180.0°180.0°
CARNAQCAPCAO177.3°180.0°
NAQCARCASH170.4°60.0°
NAQCARCASH249.9°60.0°
NAQCARCAZH983.6°60.0°
NAQCARCAZH1035.8°60.0°
OBACAPNAQCAO175.0°179.9°
OBACAPCAOCBB97.9°0.2°
OBACAPCAOCAN83.6°180.0°
OBACAPNAQH12177.7°180.0°
NAQCAPCAOCBB77.3°179.7°
NAQCAPCAOCAN101.2°0.1°
CAPNAQCARH1131.8°35.0°
CAPCAOCBBCAN178.5°179.8°
CAPCAOCBBCAK178.0°180.0°
CAPCAOCANCAM179.8°180.0°
CAOCAPNAQH122.7°0.1°
CAPCAOCBBH132.1°0.1°
CAPCAOCANH140.1°0.0°
CAOCBBCAKH13180.0°179.9°
CAOCBBCAKNAJ178.0°179.9°
CAOCBBCAKCAL2.7°0.0°
CBBCAOCANCAM1.4°0.2°
CBBCAOCANH14178.6°179.8°
CAKCBBCAOCAN0.6°0.2°
CBBCAKNAJCAL175.0°180.0°
CBBCAKNAJCAI150.0°26.3°
CBBCAKCALCAM2.8°0.2°
CBBCAKCALH16177.2°180.0°
CBBCAKNAJH1730.0°153.6°
CAOCANCAMH14180.0°180.0°
CAOCANCAMCAL1.2°0.0°
CANCAOCBBH13179.4°179.7°
CAOCANCAMH15178.8°180.0°
CAKNAJCAIH17180.0°179.9°
CAKNAJCAINAH175.9°6.5°
CAKNAJCAISBC7.8°173.3°
NAJCAKCALCAM177.6°179.7°
NAJCAKCBBH131.9°0.0°
NAJCAKCALH162.5°0.0°
NAJCAINAHSBC176.8°179.8°
NAJCAINAHCAG179.7°180.0°
CAINAJCAKCAL35.1°153.6°
NAJCAISBCCAF178.8°180.0°
CAINAHCAGCAF3.6°0.0°
NAHCAISBCCAF2.1°0.2°
NAHCAINAJH174.1°173.6°
CAINAHCAGH18176.4°180.0°
CAGNAHCAISBC3.5°0.2°
NAHCAGCAFH18180.0°179.9°
NAHCAGCAFSBC1.8°0.1°
NAHCAGCAFCAE178.5°179.9°
CAKCALCAMCAN0.9°0.2°
CAKCALCAMH16180.0°179.7°
CALCAKCBBH13177.3°179.9°
CAKCALCAMH15179.1°179.7°
CALCAKNAJH17144.9°26.5°
CAISBCCAFCAG0.1°0.2°
CAISBCCAFCAE177.0°180.0°
SBCCAINAJH17172.2°6.6°
CANCAMCALH15180.0°179.9°
CANCAMCALH16179.1°179.9°
CAGCAFSBCCAE177.1°179.8°
CAGCAFCAENAD8.8°179.8°
CAGCAFCAEOBD169.3°0.3°
CALCAMCANH14178.8°180.0°
SBCCAFCAENAD174.8°0.0°
SBCCAFCAEOBD7.1°179.9°
SBCCAFCAGH18178.2°179.9°
CAFCAENADOBD178.0°179.9°
CAFCAENADCAC176.3°174.4°
CAECAFCAGH181.5°0.0°
CAFCAENADH193.7°5.6°
CAENADCACH19180.0°180.0°
CAENADCACCAB102.3°52.1°
CAENADCACCBE81.9°127.7°
OBDCAENADCAC1.7°5.5°
OBDCAENADH19178.3°174.5°
CLACABCACNAD2.8°0.1°
CLACABCACCBI178.8°179.9°
CLACABCACCBE178.6°179.7°
CLACABCBICBH178.9°180.0°
CLACABCBIH201.1°0.1°
NADCACCABCBE175.8°179.8°
NADCACCABCBI176.0°180.0°
NADCACCBECBF3.7°0.0°
NADCACCBECBG178.2°179.7°
CABCACCBECBF179.4°179.7°
CABCACCBECBG2.4°0.5°
CACCABCBICBH2.3°0.1°
CABCACNADH1977.7°127.9°
CACCABCBIH20177.7°180.0°
CBECACCABCBI0.2°0.2°
CACCBECBFCBG178.2°179.7°
CACCBECBGCBH2.2°0.6°
CBECACNADH1998.1°52.3°
CACCBECBGH22177.9°179.7°
CACCBECBFH2391.0°90.0°
CACCBECBFH24149.1°150.0°
CACCBECBFH2529.1°30.0°
CABCBICBHH20180.0°179.9°
CABCBICBHCBG2.5°0.0°
CABCBICBHH21177.5°180.0°
CBFCBECBGCBH179.6°179.7°
CBFCBECBGH220.4°0.0°
CBECBFH23H24120.0°120.0°
CBECBFH23H25120.0°120.0°
CBECBFH24H25120.0°120.1°
CBECBGCBHCBI0.3°0.3°
CBECBGCBHH22180.0°179.7°
CBECBGCBHH21179.7°179.7°
CBGCBECBFH2390.8°89.7°
CBGCBECBFH2429.2°30.2°
CBGCBECBFH25149.1°150.3°
CBICBHCBGH21180.0°180.0°
CBICBHCBGH22179.7°180.0°
CBGCBHCBIH20177.5°179.9°
H1CASCATH342.0°179.9°
H1CASCATH4161.1°60.0°
H1CASCARH11167.8°180.0°
H2CASCATH378.3°60.0°
H2CASCATH440.8°59.9°
H2CASCARH1171.9°60.0°
H3CATCAUH514.8°180.0°
H4CATCAUH5104.3°60.0°
H5CAUCAYH767.2°180.0°
H5CAUCAYH851.5°60.0°
H7CAYCAZH928.2°60.0°
H7CAYCAZH1091.2°NaN°
H8CAYCAZH9146.9°60.0°
H8CAYCAZH1027.5°60.0°
H9CAZCARH1135.3°60.0°
H10CAZCARH11154.6°180.0°
H11CARNAQH12148.2°145.0°
H14CANCAMH151.2°0.0°
H15CAMCALH160.9°0.0°
H20CBICBHH212.5°0.1°
H21CBHCBGH220.3°0.0°
H23CBFH24H25120.0°120.0°

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