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SC0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAMsing1.53Å1.53Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CAMCASsing1.53Å1.53Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CASCAUsing1.53Å1.53Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CAUCAOsing1.53Å1.53Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CAOCAIsing1.51Å1.39Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAICAKdoub1.31Å1.39Å
CAIHAIsing1.08Å1.08Å
CAKCAQsing1.51Å1.39Å
CAKHAKsing1.08Å1.08Å
CAQCAWsing1.53Å1.53Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAWCARsing1.53Å1.53Å
CAWPAXsing1.82Å1.86Å
CAWPAYsing1.82Å1.86Å
PAXOAEsing1.61Å1.61Å
PAXOAFsing1.61Å1.61Å
PAXOACdoub1.48Å1.48Å
OAEHAEsing0.97Å0.95Å
OAFHAFsing0.97Å0.95Å
PAYOAGsing1.61Å1.61Å
PAYOAHsing1.61Å1.61Å
PAYOADdoub1.48Å1.48Å
OAGHAGsing0.97Å0.95Å
OAHHAHsing0.97Å0.95Å
CARCALsing1.51Å1.39Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CALCAJdoub1.31Å1.39Å
CALHALsing1.08Å1.08Å
CAJCAPsing1.51Å1.39Å
CAJHAJsing1.08Å1.08Å
CAPCAVsing1.53Å1.53Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAVCATsing1.53Å1.53Å
CAVHAV1sing1.09Å1.10Å
CAVHAV2sing1.09Å1.10Å
CATCANsing1.53Å1.53Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CANCABsing1.53Å1.53Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAMCAAHAA1109.5°109.5°
CAMCAAHAA2109.5°109.6°
CAMCAAHAA3109.4°109.5°
CAACAMCAS111.5°109.5°
CAACAMHAM1108.8°109.5°
CAACAMHAM2108.3°109.4°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.4°109.4°
HAA2CAAHAA3109.5°109.4°
CASCAMHAM1108.8°109.5°
CASCAMHAM2108.3°109.5°
CAMCASCAU111.1°109.5°
CAMCASHAS1108.9°109.5°
CAMCASHAS2108.6°109.5°
HAM1CAMHAM2111.1°109.4°
CAUCASHAS1108.9°109.4°
CAUCASHAS2108.6°109.5°
CASCAUCAO112.9°109.5°
CASCAUHAU1108.4°109.5°
CASCAUHAU2107.6°109.5°
HAS1CASHAS2110.7°109.5°
CAOCAUHAU1108.3°109.5°
CAOCAUHAU2107.6°109.5°
CAUCAOCAI112.8°109.5°
CAUCAOHAO1108.4°109.4°
CAUCAOHAO2107.6°109.5°
HAU1CAUHAU2112.2°109.5°
CAICAOHAO1108.4°109.5°
CAICAOHAO2107.6°109.5°
CAOCAICAK120.2°120.0°
CAOCAIHAI119.9°120.0°
HAO1CAOHAO2112.1°109.5°
CAKCAIHAI119.9°120.0°
CAICAKCAQ119.6°120.0°
CAICAKHAK120.2°120.0°
CAQCAKHAK120.2°120.0°
CAKCAQCAW113.8°109.5°
CAKCAQHAQ1108.1°109.5°
CAKCAQHAQ2107.1°109.5°
CAWCAQHAQ1108.1°109.5°
CAWCAQHAQ2107.1°109.4°
CAQCAWCAR112.0°109.5°
CAQCAWPAX109.7°109.5°
CAQCAWPAY110.7°109.5°
HAQ1CAQHAQ2112.9°109.5°
CARCAWPAX103.9°109.4°
CARCAWPAY114.6°109.5°
CAWCARCAL116.3°109.5°
CAWCARHAR1107.3°109.5°
CAWCARHAR2105.7°109.5°
PAXCAWPAY105.5°109.5°
CAWPAXOAE107.6°109.5°
CAWPAXOAF106.1°109.4°
CAWPAXOAC111.5°109.5°
CAWPAYOAG106.9°109.5°
CAWPAYOAH106.4°109.5°
CAWPAYOAD110.9°109.5°
OAEPAXOAF106.1°109.5°
OAEPAXOAC112.7°109.5°
PAXOAEHAE109.5°114.0°
OAFPAXOAC112.4°109.5°
PAXOAFHAF109.5°114.0°
OAGPAYOAH108.5°109.4°
OAGPAYOAD112.8°109.5°
PAYOAGHAG109.5°114.1°
OAHPAYOAD111.0°109.5°
PAYOAHHAH109.5°114.0°
CALCARHAR1107.3°109.5°
CALCARHAR2105.7°109.5°
CARCALCAJ117.4°120.0°
CARCALHAL121.3°120.0°
HAR1CARHAR2115.0°109.5°
CAJCALHAL121.3°120.0°
CALCAJCAP122.1°120.0°
CALCAJHAJ118.9°120.0°
CAPCAJHAJ119.0°120.0°
CAJCAPCAV107.5°109.5°
CAJCAPHAP1110.1°109.4°
CAJCAPHAP2110.5°109.5°
CAVCAPHAP1110.1°109.5°
CAVCAPHAP2110.6°109.4°
CAPCAVCAT114.1°109.5°
CAPCAVHAV1108.0°109.5°
CAPCAVHAV2106.9°109.5°
HAP1CAPHAP2108.0°109.5°
CATCAVHAV1107.9°109.5°
CATCAVHAV2106.9°109.5°
CAVCATCAN110.0°109.5°
CAVCATHAT1109.3°109.4°
CAVCATHAT2109.2°109.4°
HAV1CAVHAV2113.2°109.4°
CANCATHAT1109.3°109.5°
CANCATHAT2109.2°109.5°
CATCANCAB111.3°109.5°
CATCANHAN1108.9°109.5°
CATCANHAN2108.4°109.5°
HAT1CATHAT2109.9°109.5°
CABCANHAN1108.9°109.5°
CABCANHAN2108.4°109.5°
CANCABHAB1109.5°109.5°
CANCABHAB2109.4°109.5°
CANCABHAB3109.5°109.5°
HAN1CANHAN2110.9°109.4°
HAB1CABHAB2109.5°109.5°
HAB1CABHAB3109.4°109.4°
HAB2CABHAB3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAMCAAHAA1HAA2120.0°120.1°
CAMCAAHAA1HAA3119.9°120.0°
CAMCAAHAA2HAA3120.0°120.0°
CAACAMCASHAM1120.0°120.1°
CAACAMCASHAM2119.1°120.0°
CAACAMHAM1HAM2119.2°119.9°
CAACAMCASCAU175.4°180.0°
CAACAMCASHAS164.6°60.0°
CAACAMCASHAS256.1°60.0°
HAA1CAAHAA2HAA3120.0°119.9°
HAA1CAACAMCAS92.8°59.9°
HAA1CAACAMHAM1147.2°180.0°
HAA1CAACAMHAM226.4°60.1°
HAA2CAACAMCAS147.2°180.0°
HAA2CAACAMHAM127.2°59.9°
HAA2CAACAMHAM293.6°60.0°
HAA3CAACAMCAS27.2°60.0°
HAA3CAACAMHAM192.8°60.1°
HAA3CAACAMHAM2146.3°180.0°
CASCAMHAM1HAM2119.2°120.0°
CAMCASCAUHAS1120.0°120.0°
CAMCASCAUHAS2119.3°120.0°
CAMCASHAS1HAS2119.3°120.0°
CAMCASCAUCAO176.5°180.0°
CAMCASCAUHAU156.5°60.0°
CAMCASCAUHAU265.0°60.0°
HAM1CAMCASCAU55.4°60.0°
HAM1CAMCASHAS1175.4°179.9°
HAM1CAMCASHAS263.9°60.0°
HAM2CAMCASCAU65.5°60.0°
HAM2CAMCASHAS154.5°59.9°
HAM2CAMCASHAS2175.2°180.0°
CAUCASHAS1HAS2119.3°120.0°
CASCAUCAOHAU1120.0°120.0°
CASCAUCAOHAU2118.5°120.0°
CASCAUHAU1HAU2118.6°120.0°
CASCAUCAOCAI67.5°180.0°
CASCAUCAOHAO152.5°60.0°
CASCAUCAOHAO2174.0°60.0°
HAS1CASCAUCAO63.5°60.0°
HAS1CASCAUHAU1176.5°180.0°
HAS1CASCAUHAU255.0°60.0°
HAS2CASCAUCAO57.2°60.0°
HAS2CASCAUHAU162.8°60.0°
HAS2CASCAUHAU2175.7°180.0°
CAOCAUHAU1HAU2118.6°120.0°
CAUCAOCAIHAO1120.0°119.9°
CAUCAOCAIHAO2118.5°120.0°
CAUCAOHAO1HAO2118.6°120.0°
CAUCAOCAICAK138.9°125.0°
CAUCAOCAIHAI41.1°55.0°
HAU1CAUCAOCAI172.5°60.0°
HAU1CAUCAOHAO167.5°180.0°
HAU1CAUCAOHAO254.0°60.0°
HAU2CAUCAOCAI51.0°60.0°
HAU2CAUCAOHAO1171.0°60.0°
HAU2CAUCAOHAO267.5°180.0°
CAICAOHAO1HAO2118.6°120.0°
CAOCAICAKHAI180.0°180.0°
CAOCAICAKCAQ179.9°179.9°
CAOCAICAKHAK0.1°0.0°
HAO1CAOCAICAK101.1°5.0°
HAO1CAOCAIHAI78.9°175.0°
HAO2CAOCAICAK20.4°115.0°
HAO2CAOCAIHAI159.6°65.0°
CAICAKCAQHAK180.0°179.9°
CAICAKCAQCAW130.8°125.0°
CAICAKCAQHAQ1109.2°114.9°
CAICAKCAQHAQ212.7°5.1°
HAICAICAKCAQ0.2°0.1°
HAICAICAKHAK179.8°180.0°
CAKCAQCAWHAQ1120.0°120.1°
CAKCAQCAWHAQ2118.1°119.9°
CAKCAQHAQ1HAQ2118.2°120.0°
CAKCAQCAWCAR41.2°180.0°
CAKCAQCAWPAX156.1°60.0°
CAKCAQCAWPAY87.9°60.0°
HAKCAKCAQCAW49.2°55.0°
HAKCAKCAQHAQ170.8°65.0°
HAKCAKCAQHAQ2167.3°175.0°
CAWCAQHAQ1HAQ2118.3°120.0°
CAQCAWCARPAX118.4°120.0°
CAQCAWCARPAY127.1°120.0°
CAQCAWPAXPAY119.2°120.0°
CAQCAWPAXOAE69.5°65.0°
CAQCAWPAXOAF177.2°55.0°
CAQCAWPAXOAC54.5°175.0°
CAQCAWPAYOAG168.1°55.0°
CAQCAWPAYOAH52.3°175.0°
CAQCAWPAYOAD68.5°65.0°
CAQCAWCARCAL87.3°180.0°
CAQCAWCARHAR1152.7°60.0°
CAQCAWCARHAR229.5°60.0°
HAQ1CAQCAWCAR161.2°60.0°
HAQ1CAQCAWPAX83.9°180.0°
HAQ1CAQCAWPAY32.0°60.0°
HAQ2CAQCAWCAR76.9°60.0°
HAQ2CAQCAWPAX38.0°60.0°
HAQ2CAQCAWPAY154.0°180.0°
CARCAWPAXPAY120.9°120.0°
CARCAWPAXOAE50.4°55.0°
CARCAWPAXOAF62.8°175.0°
CARCAWPAXOAC174.5°65.0°
CARCAWPAYOAG40.3°65.0°
CARCAWPAYOAH75.5°55.0°
CARCAWPAYOAD163.7°175.0°
CAWCARCALHAR1120.0°120.0°
CAWCARCALHAR2116.9°120.0°
CAWCARHAR1HAR2117.2°120.0°
CAWCARCALCAJ145.3°125.0°
CAWCARCALHAL34.7°55.0°
CAWPAXOAEOAF113.3°119.9°
CAWPAXOAEOAC123.3°120.1°
CAWPAXOAFOAC122.1°120.0°
CAWPAXOAEHAE139.3°180.0°
CAWPAXOAFHAF145.2°60.0°
PAXCAWPAYOAG73.3°175.0°
PAXCAWPAYOAH170.9°65.0°
PAXCAWPAYOAD50.1°55.0°
PAXCAWCARCAL154.3°60.0°
PAXCAWCARHAR134.3°180.0°
PAXCAWCARHAR288.8°60.0°
PAYCAWPAXOAE171.3°175.0°
PAYCAWPAXOAF58.0°65.0°
PAYCAWPAXOAC64.7°55.0°
CAWPAYOAGOAH114.4°120.0°
CAWPAYOAGOAD122.2°120.1°
CAWPAYOAHOAD120.7°120.0°
CAWPAYOAGHAG96.0°180.0°
CAWPAYOAHHAH76.3°60.0°
PAYCAWCARCAL39.8°60.0°
PAYCAWCARHAR180.2°60.0°
PAYCAWCARHAR2156.6°180.0°
OAEPAXOAFOAC123.6°120.0°
OAEPAXOAFHAF100.4°60.0°
OAFPAXOAEHAE107.4°60.0°
OACPAXOAEHAE16.0°60.0°
OACPAXOAFHAF23.1°180.0°
OAGPAYOAHOAD124.5°120.0°
OAGPAYOAHHAH38.5°60.0°
OAHPAYOAGHAG149.6°60.0°
OADPAYOAGHAG26.2°59.9°
OADPAYOAHHAH163.0°180.0°
CALCARHAR1HAR2117.2°120.0°
CARCALCAJHAL180.0°180.0°
CARCALCAJCAP178.2°180.0°
CARCALCAJHAJ1.8°0.1°
HAR1CARCALCAJ94.7°5.0°
HAR1CARCALHAL85.3°175.0°
HAR2CARCALCAJ28.4°115.0°
HAR2CARCALHAL151.6°65.0°
CALCAJCAPHAJ180.0°179.9°
CALCAJCAPCAV108.2°125.0°
CALCAJCAPHAP1131.8°115.0°
CALCAJCAPHAP212.6°5.0°
HALCALCAJCAP1.8°0.0°
HALCALCAJHAJ178.2°180.0°
CAJCAPCAVHAP1120.0°120.0°
CAJCAPCAVHAP2120.8°120.0°
CAJCAPHAP1HAP2120.8°120.0°
CAJCAPCAVCAT171.6°180.0°
CAJCAPCAVHAV168.4°60.0°
CAJCAPCAVHAV253.7°60.0°
HAJCAJCAPCAV71.8°54.9°
HAJCAJCAPHAP148.2°65.0°
HAJCAJCAPHAP2167.4°174.9°
CAVCAPHAP1HAP2120.8°120.0°
CAPCAVCATHAV1120.0°120.0°
CAPCAVCATHAV2117.9°120.0°
CAPCAVHAV1HAV2118.1°120.0°
CAPCAVCATCAN177.7°NaN°
CAPCAVCATHAT157.7°60.0°
CAPCAVCATHAT262.5°60.0°
HAP1CAPCAVCAT51.7°60.0°
HAP1CAPCAVHAV1171.6°180.0°
HAP1CAPCAVHAV266.3°60.0°
HAP2CAPCAVCAT67.6°60.0°
HAP2CAPCAVHAV152.4°60.0°
HAP2CAPCAVHAV2174.5°180.0°
CATCAVHAV1HAV2118.1°120.0°
CAVCATCANHAT1120.0°120.0°
CAVCATCANHAT2119.8°119.9°
CAVCATHAT1HAT2119.8°120.0°
CAVCATCANCAB179.1°180.0°
CAVCATCANHAN159.1°60.0°
CAVCATCANHAN261.7°60.0°
HAV1CAVCATCAN62.3°60.0°
HAV1CAVCATHAT1177.7°180.0°
HAV1CAVCATHAT257.5°60.0°
HAV2CAVCATCAN59.7°60.0°
HAV2CAVCATHAT160.2°60.0°
HAV2CAVCATHAT2179.5°179.9°
CANCATHAT1HAT2119.8°120.0°
CATCANCABHAN1120.0°120.0°
CATCANCABHAN2119.2°120.0°
CATCANHAN1HAN2119.3°120.0°
CATCANCABHAB198.6°60.0°
CATCANCABHAB221.4°60.0°
CATCANCABHAB3141.5°180.0°
HAT1CATCANCAB60.9°60.1°
HAT1CATCANHAN1179.1°180.0°
HAT1CATCANHAN258.3°60.0°
HAT2CATCANCAB59.3°60.0°
HAT2CATCANHAN160.7°60.0°
HAT2CATCANHAN2178.5°179.9°
CABCANHAN1HAN2119.2°120.0°
CANCABHAB1HAB2120.0°120.1°
CANCABHAB1HAB3120.0°120.0°
CANCABHAB2HAB3120.0°120.0°
HAN1CANCABHAB1141.4°180.0°
HAN1CANCABHAB298.6°60.0°
HAN1CANCABHAB321.5°60.0°
HAN2CANCABHAB120.6°60.0°
HAN2CANCABHAB2140.6°180.0°
HAN2CANCABHAB399.3°60.0°
HAB1CABHAB2HAB3120.0°119.9°

246704

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