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PRD_900012

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O21C21sing1.41Å1.41Å
O31C31sing1.40Å1.40Å
O37C37sing1.42Å1.42Å
C21C31sing1.52Å1.52Å
C21C11sing1.50Å1.50Å
C31C41sing1.52Å1.52Å
O27C27sing1.41Å1.41Å
O22C22sing1.44Å1.44Å
C11O47sing1.47Å1.47Å
C11O51sing1.38Å1.38Å
C37C27sing1.52Å1.52Å
C37C47sing1.50Å1.50Å
C27C17sing1.52Å1.52Å
C41O41sing1.44Å1.44Å
C41C51sing1.51Å1.51Å
O47C47sing1.45Å1.45Å
O51C51sing1.41Å1.41Å
C22C12sing1.51Å1.51Å
C22C32sing1.52Å1.52Å
C47C57sing1.50Å1.50Å
C12O41sing1.45Å1.45Å
C12O52sing1.39Å1.39Å
C51C61sing1.55Å1.55Å
O61C61sing1.43Å1.43Å
C17O57sing1.41Å1.41Å
C17O46sing1.42Å1.42Å
O36C36sing1.44Å1.44Å
O52C52sing1.43Å1.43Å
O32C32sing1.43Å1.43Å
C32C42sing1.51Å1.51Å
C57O57sing1.42Å1.42Å
C57C67sing1.54Å1.54Å
O67C67sing1.41Å1.41Å
O46C46sing1.43Å1.43Å
C36C46sing1.52Å1.52Å
C36C26sing1.51Å1.51Å
C42C52sing1.52Å1.52Å
C42O42sing1.46Å1.46Å
C52C62sing1.53Å1.53Å
C46C56sing1.54Å1.54Å
O62C62sing1.41Å1.41Å
C26O26sing1.43Å1.43Å
C26C16sing1.50Å1.50Å
O42C13sing1.44Å1.44Å
O66C66sing1.45Å1.45Å
C56C66sing1.52Å1.52Å
C56O56sing1.43Å1.43Å
O56C16sing1.42Å1.42Å
C16O45sing1.42Å1.42Å
C13O53sing1.40Å1.40Å
C13C23sing1.51Å1.51Å
O23C23sing1.43Å1.43Å
O45C45sing1.46Å1.46Å
O63C63sing1.42Å1.42Å
O53C53sing1.42Å1.42Å
C23C33sing1.52Å1.52Å
C53C63sing1.53Å1.53Å
C53C43sing1.51Å1.51Å
O35C35sing1.45Å1.45Å
C33C43sing1.53Å1.53Å
C33O33sing1.42Å1.42Å
C45C35sing1.51Å1.51Å
C45C55sing1.52Å1.52Å
C35C25sing1.51Å1.51Å
C43O43sing1.44Å1.44Å
O43C14sing1.41Å1.41Å
C55C65sing1.54Å1.54Å
C55O55sing1.42Å1.42Å
C65O65sing1.40Å1.40Å
O64C64sing1.42Å1.42Å
O44C15sing1.39Å1.39Å
O44C44sing1.47Å1.47Å
C25O25sing1.42Å1.42Å
C25C15sing1.53Å1.53Å
C54C64sing1.53Å1.53Å
C54C44sing1.51Å1.51Å
C54O54sing1.44Å1.44Å
C34C44sing1.50Å1.50Å
C34C24sing1.52Å1.52Å
C34O34sing1.43Å1.43Å
C14O54sing1.44Å1.44Å
C14C24sing1.53Å1.53Å
O55C15sing1.42Å1.42Å
O24C24sing1.41Å1.41Å
C11H11sing1.10Å1.10Å
C21H21sing1.10Å1.10Å
O21HO21sing0.95Å0.95Å
C31H31sing1.10Å1.10Å
O31HO31sing0.95Å0.95Å
C41H41sing1.10Å1.10Å
C51H51sing1.10Å1.10Å
C61H611sing1.10Å1.10Å
C61H612sing1.10Å1.10Å
O61HO61sing0.95Å0.95Å
C12H12sing1.10Å1.10Å
C22H22sing1.10Å1.10Å
O22HO22sing0.95Å0.95Å
C32H32sing1.10Å1.10Å
O32HO32sing0.95Å0.95Å
C42H42sing1.10Å1.10Å
C52H52sing1.10Å1.10Å
C62H621sing1.10Å1.10Å
C62H622sing1.10Å1.10Å
O62HO62sing0.95Å0.95Å
C13H13sing1.10Å1.10Å
C23H23sing1.10Å1.10Å
O23HO23sing0.95Å0.95Å
C33H33sing1.10Å1.10Å
O33HO33sing0.95Å0.95Å
C43H43sing1.10Å1.10Å
C53H53sing1.10Å1.10Å
C63H632sing1.10Å1.10Å
C63H631sing1.10Å1.10Å
O63HO63sing0.95Å0.95Å
C14H14sing1.10Å1.10Å
C24H24sing1.10Å1.10Å
O24HO24sing0.95Å0.95Å
C34H34sing1.10Å1.10Å
O34HO34sing0.95Å0.95Å
C44H44sing1.10Å1.10Å
C54H54sing1.10Å1.10Å
C64H642sing1.10Å1.10Å
C64H641sing1.10Å1.10Å
O64HO64sing0.95Å0.95Å
C15H15sing1.10Å1.10Å
C25H25sing1.10Å1.10Å
O25HO25sing0.95Å0.95Å
C35H35sing1.10Å1.10Å
O35HO35sing0.95Å0.95Å
C45H45sing1.10Å1.10Å
C55H55sing1.10Å1.10Å
C65H651sing1.10Å1.10Å
C65H652sing1.10Å1.10Å
O65HO65sing0.95Å0.95Å
C16H16sing1.10Å1.10Å
C26H26sing1.10Å1.10Å
O26HO26sing0.95Å0.95Å
C36H36sing1.10Å1.10Å
O36HO36sing0.95Å0.95Å
C46H46sing1.10Å1.10Å
C56H56sing1.10Å1.10Å
C66H662sing1.10Å1.10Å
C66H661sing1.10Å1.10Å
O66HO66sing0.95Å0.95Å
C17H17sing1.10Å1.10Å
C27H27sing1.10Å1.10Å
O27HO27sing0.95Å0.95Å
C37H37sing1.10Å1.10Å
O37HO37sing0.95Å0.95Å
C47H47sing1.10Å1.10Å
C57H57sing1.10Å1.10Å
C67H671sing1.10Å1.10Å
C67H672sing1.10Å1.10Å
O67HO67sing0.95Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O21C21C31111.9°111.9°
O21C21C11109.1°109.1°
O21C21H21109.7°109.7°
C21O21HO21109.5°109.5°
O31C31C21108.8°108.8°
O31C31C41111.0°111.0°
O31C31H31110.3°110.3°
C31O31HO31109.5°109.5°
O37C37C27109.1°109.1°
O37C37C47111.4°111.4°
O37C37H37109.4°109.4°
C37O37HO37109.5°109.5°
C31C21C11109.5°109.5°
C21C31C41109.3°109.3°
C31C21H21108.2°108.2°
C21C31H31108.6°108.6°
C21C11O47110.9°110.9°
C21C11O51114.5°114.5°
C21C11H11106.2°106.2°
C11C21H21108.4°108.5°
C31C41O41107.3°107.3°
C31C41C51109.8°109.8°
C41C31H31108.8°108.8°
C31C41H41109.6°109.6°
O27C27C37110.5°110.5°
O27C27C17111.1°111.1°
O27C27H27109.5°109.5°
C27O27HO27109.5°109.5°
O22C22C12109.1°109.1°
O22C22C32110.6°110.6°
O22C22H22109.6°109.6°
C22O22HO22109.5°109.5°
O47C11O51110.6°110.6°
C11O47C47125.7°125.7°
O47C11H11106.6°106.6°
C11O51C51112.6°112.6°
O51C11H11107.6°107.6°
C27C37C47110.3°110.3°
C37C27C17109.7°109.7°
C37C27H27108.0°108.0°
C27C37H37108.2°108.2°
C37C47O47109.4°109.4°
C37C47C57112.4°112.4°
C47C37H37108.3°108.3°
C37C47H47106.9°106.9°
C27C17O57110.5°110.5°
C27C17O46106.9°106.9°
C27C17H17109.0°109.0°
C17C27H27107.9°107.9°
O41C41C51109.7°109.7°
C41O41C12115.1°115.1°
O41C41H41110.7°110.7°
C41C51O51110.8°110.8°
C41C51C61110.5°110.5°
C51C41H41109.7°109.7°
C41C51H51109.4°109.4°
O47C47C57113.2°113.2°
O47C47H47107.6°107.6°
O51C51C61106.5°106.5°
O51C51H51110.8°110.8°
C12C22C32110.5°110.5°
C22C12O41110.5°110.5°
C22C12O52109.5°109.5°
C22C12H12108.1°108.1°
C12C22H22108.6°108.6°
C22C32O32108.6°108.6°
C22C32C42112.5°112.5°
C32C22H22108.5°108.5°
C22C32H32108.1°108.1°
C47C57O57110.6°110.6°
C47C57C67111.1°111.1°
C57C47H47107.0°107.0°
C47C57H57108.3°108.3°
O41C12O52110.1°110.1°
O41C12H12108.9°108.9°
C12O52C52116.1°116.1°
O52C12H12109.8°109.8°
C51C61O61110.5°110.5°
C61C51H51108.8°108.8°
C51C61H611109.2°109.2°
C51C61H612109.2°109.2°
O61C61H611109.2°109.2°
O61C61H612109.2°109.2°
C61O61HO61109.5°109.5°
O57C17O46109.3°109.3°
C17O57C57113.0°113.0°
O57C17H17110.5°110.5°
C17O46C46115.9°115.9°
O46C17H17110.5°110.5°
O36C36C46112.0°112.0°
O36C36C26108.3°108.3°
O36C36H36109.6°109.6°
C36O36HO36109.5°109.5°
O52C52C42110.2°110.2°
O52C52C62103.1°103.1°
O52C52H52110.2°110.2°
O32C32C42110.2°110.2°
O32C32H32109.3°109.3°
C32O32HO32109.5°109.5°
C32C42C52111.8°111.8°
C32C42O42102.4°102.4°
C42C32H32108.2°108.2°
C32C42H42109.4°109.4°
O57C57C67109.6°109.6°
O57C57H57109.4°109.4°
C57C67O67109.6°109.6°
C67C57H57107.8°107.8°
C57C67H671109.4°109.4°
C57C67H672109.4°109.4°
O67C67H671109.4°109.4°
O67C67H672109.5°109.5°
C67O67HO67109.5°109.5°
O46C46C36104.7°104.7°
O46C46C56113.8°113.8°
O46C46H46110.1°110.1°
C46C36C26109.7°109.7°
C36C46C56110.7°110.7°
C46C36H36108.5°108.5°
C36C46H46108.8°108.8°
C36C26O26110.7°110.7°
C36C26C16112.7°112.7°
C36C26H26107.2°107.2°
C26C36H36108.6°108.7°
C52C42O42113.7°113.7°
C42C52C62115.2°115.2°
C52C42H42109.3°109.3°
C42C52H52109.0°109.0°
C42O42C13116.5°116.5°
O42C42H42110.1°110.1°
C52C62O62111.2°111.2°
C62C52H52108.9°108.9°
C52C62H621109.0°109.0°
C52C62H622109.0°109.1°
C46C56C66114.5°114.5°
C46C56O56109.9°109.9°
C56C46H46108.6°108.6°
C46C56H56107.9°107.9°
O62C62H621109.0°109.0°
O62C62H622109.1°109.0°
C62O62HO62109.5°109.5°
O26C26C16110.3°110.3°
O26C26H26108.3°108.3°
C26O26HO26109.5°109.5°
C26C16O56110.2°110.2°
C26C16O45106.8°106.8°
C26C16H16108.8°108.8°
C16C26H26107.3°107.3°
O42C13O53110.9°110.9°
O42C13C23109.0°109.0°
O42C13H13108.7°108.7°
O66C66C56111.6°111.6°
O66C66H662109.0°109.0°
O66C66H661109.0°109.0°
C66O66HO66109.5°109.5°
C66C56O56107.0°107.0°
C66C56H56108.1°108.1°
C56C66H662108.9°108.9°
C56C66H661109.0°109.0°
C56O56C16113.2°113.2°
O56C56H56109.3°109.3°
O56C16O45111.0°111.0°
O56C16H16110.0°110.0°
C16O45C45118.7°118.7°
O45C16H16109.9°109.9°
O53C13C23110.9°110.9°
C13O53C53114.3°114.3°
O53C13H13109.4°109.4°
C13C23O23112.4°112.4°
C13C23C33112.3°112.3°
C23C13H13107.8°107.8°
C13C23H23106.1°106.1°
O23C23C33112.2°112.2°
O23C23H23107.1°107.1°
C23O23HO23109.5°109.5°
O45C45C35106.1°106.1°
O45C45C55109.0°109.0°
O45C45H45110.6°110.6°
O63C63C53108.8°108.8°
O63C63H632109.6°109.6°
O63C63H631109.6°109.7°
C63O63HO63109.5°109.5°
O53C53C63106.9°106.9°
O53C53C43108.1°108.1°
O53C53H53110.5°110.5°
C23C33C43109.2°109.2°
C23C33O33108.3°108.3°
C33C23H23106.1°106.1°
C23C33H33108.9°108.9°
C63C53C43113.0°113.0°
C63C53H53109.0°109.0°
C53C63H632109.7°109.7°
C53C63H631109.7°109.7°
C53C43C33110.2°110.2°
C53C43O43111.3°111.3°
C53C43H43108.9°108.9°
C43C53H53109.3°109.3°
O35C35C45110.8°110.8°
O35C35C25112.0°112.0°
O35C35H35108.0°108.1°
C35O35HO35109.5°109.5°
C43C33O33111.2°111.2°
C33C43O43107.7°107.7°
C43C33H33108.8°108.8°
C33C43H43108.7°108.7°
O33C33H33110.3°110.3°
C33O33HO33109.5°109.5°
C35C45C55111.2°111.2°
C45C35C25111.2°111.2°
C45C35H35107.3°107.3°
C35C45H45110.0°110.0°
C45C55C65111.2°111.2°
C45C55O55111.6°111.6°
C55C45H45109.9°109.9°
C45C55H55109.1°109.1°
C35C25O25112.0°112.0°
C35C25C15110.9°110.9°
C35C25H25108.3°108.3°
C25C35H35107.3°107.3°
C43O43C14115.6°115.6°
O43C43H43109.9°109.9°
O43C14O54110.9°110.9°
O43C14C24109.5°109.5°
O43C14H14109.3°109.3°
C65C55O55105.6°105.6°
C55C65O65112.5°112.5°
C65C55H55108.8°108.8°
C55C65H651108.7°108.7°
C55C65H652108.7°108.7°
C55O55C15114.0°114.0°
O55C55H55110.4°110.4°
O65C65H651108.7°108.7°
O65C65H652108.7°108.7°
C65O65HO65109.5°109.5°
O64C64C54113.0°113.0°
O64C64H642108.6°108.6°
O64C64H641108.6°108.6°
C64O64HO64109.5°109.5°
C15O44C44116.3°116.3°
O44C15C25108.9°108.9°
O44C15O55110.5°110.5°
O44C15H15110.2°110.2°
O44C44C54108.5°108.5°
O44C44C34107.6°107.6°
O44C44H44109.9°109.9°
O25C25C15107.9°107.9°
O25C25H25109.6°109.5°
C25O25HO25109.5°109.5°
C25C15O55109.0°109.0°
C25C15H15108.4°108.4°
C15C25H25108.1°108.1°
C64C54C44111.8°111.8°
C64C54O54105.6°105.6°
C64C54H54109.4°109.4°
C54C64H642108.6°108.6°
C54C64H641108.6°108.6°
C44C54O54109.7°109.7°
C54C44C34112.2°112.2°
C54C44H44109.3°109.3°
C44C54H54109.6°109.6°
C54O54C14114.8°114.8°
O54C54H54110.7°110.7°
C44C34C24111.9°111.9°
C44C34O34111.0°111.0°
C44C34H34108.4°108.4°
C34C44H44109.4°109.4°
C24C34O34108.1°108.1°
C34C24C14111.2°111.2°
C34C24O24111.5°111.5°
C34C24H24108.2°108.2°
C24C34H34108.1°108.1°
O34C34H34109.4°109.3°
C34O34HO34109.5°109.5°
O54C14C24110.5°110.5°
O54C14H14108.8°108.8°
C14C24O24108.1°108.1°
C24C14H14107.7°107.7°
C14C24H24108.2°108.2°
O55C15H15109.8°109.8°
O24C24H24109.7°109.7°
C24O24HO24109.5°109.5°
H611C61H612109.5°109.5°
H621C62H622109.5°109.5°
H632C63H631109.5°109.4°
H642C64H641109.4°109.5°
H651C65H652109.4°109.4°
H662C66H661109.4°109.4°
H671C67H672109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O21C21C31O3166.4°66.4°
O21C21C31C11121.0°121.0°
O21C21C31H21120.9°120.9°
O21C21C11H21119.4°119.4°
O21C21C31C41172.2°172.2°
O21C21C11O4750.1°50.1°
O21C21C11O51176.1°176.1°
O21C21C11H1165.2°65.2°
O21C21C31H3153.7°53.7°
O31C31C21C41121.4°121.4°
O31C31C21H31120.1°120.1°
O31C31C21C11172.5°172.5°
O31C31C41H31121.5°121.5°
O31C31C41O4166.1°66.1°
O31C31C41C51174.7°174.7°
O31C31C21H2154.5°54.5°
O31C31C41H4154.1°54.1°
O37C37C27O2762.8°62.8°
O37C37C27C47122.7°122.7°
O37C37C27H37119.0°119.0°
O37C37C47H37120.4°120.4°
O37C37C27C17174.4°174.4°
O37C37C47O4761.1°61.1°
O37C37C47C57172.3°172.3°
O37C37C27H2757.0°57.0°
O37C37C47H4755.2°55.2°
C31C21C11H21117.9°117.9°
C21C31C41H31118.4°118.4°
C31C21C11O4772.6°72.6°
C31C21C11O5153.4°53.4°
C21C31C41O41173.8°173.8°
C21C31C41C5154.6°54.6°
C31C21C11H11172.0°172.0°
C31C21O21HO21180.0°180.0°
C21C31O31HO31180.0°180.0°
C21C31C41H4165.9°65.9°
C11C21C31C4151.1°51.1°
C21C11O47O51128.2°128.2°
C21C11O47H11115.1°115.1°
C21C11O51H11117.8°117.8°
C21C11O47C47127.1°127.1°
C21C11O51C5157.9°57.9°
C11C21O21HO2158.7°58.7°
C11C21C31H3167.4°67.4°
C31C41O41C51119.2°119.2°
C31C41O41H41119.6°119.5°
C31C41C51H41120.5°120.5°
C31C41C51O5158.3°58.3°
C31C41O41C12108.9°108.9°
C31C41C51C61176.1°176.1°
C41C31C21H2166.9°66.9°
C41C31O31HO3159.7°59.7°
C31C41C51H5164.1°64.1°
O27C27C37C17122.8°122.8°
O27C27C37H27119.8°119.8°
O27C27C37C47174.5°174.5°
O27C27C17H27120.1°120.1°
O27C27C17O57179.3°179.3°
O27C27C17O4660.4°60.4°
O27C27C17H1759.0°59.0°
O27C27C37H3756.2°56.2°
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C64C54C44H4449.4°49.4°
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C54C64O64HO64180.0°180.0°
C44C54O54H54121.1°121.1°
C54C44C34H44121.5°121.5°
C54C44C34C2451.0°51.0°
C54C44C34O34171.8°171.8°
C44C54O54C1459.1°59.1°
C54C44C34H3468.1°68.1°
C44C54C64H64265.9°65.9°
C44C54C64H64153.1°53.1°
O54C54C44C3454.2°54.2°
C54O54C14C2458.4°58.4°
C54O54C14H14176.4°176.4°
O54C54C44H4467.3°67.3°
O54C54C64H64253.3°53.3°
O54C54C64H641172.2°172.3°
C44C34C24O34122.5°122.5°
C44C34C24H34119.3°119.3°
C44C34O34H34119.5°119.5°
C44C34C24C1449.4°49.4°
C44C34C24O24170.1°170.1°
C44C34C24H2469.2°69.2°
C44C34O34HO34180.0°180.0°
C34C44C54H5467.6°67.6°
C24C34O34H34117.5°117.5°
C34C24C14O5451.6°51.6°
C34C24C14O24122.7°122.7°
C34C24C14H24118.6°118.7°
C34C24O24H24119.8°119.8°
C34C24C14H14170.3°170.3°
C34C24O24HO24180.0°180.0°
C24C34O34HO3457.0°57.0°
C24C34C44H4470.4°70.4°
O34C34C24C14171.9°171.9°
O34C34C24O2467.5°67.5°
O34C34C24H2453.2°53.2°
O34C34C44H4450.3°50.3°
O54C14C24H14118.7°118.7°
O54C14C24O24174.3°174.3°
O54C14C24H2467.0°67.0°
C14O54C54H5462.0°62.0°
C14C24O24H24117.7°117.7°
C14C24O24HO2457.5°57.5°
C14C24C34H3469.9°69.9°
O55C15C25H2562.4°62.4°
C15O55C55H5562.4°62.4°
O24C24C14H1467.0°67.0°
O24C24C34H3450.8°50.8°
H11C11C21H2154.1°54.2°
H21C21O21HO2159.9°60.0°
H21C21C31H31174.6°174.6°
H31C31O31HO3161.0°60.9°
H31C31C41H41175.6°175.6°
H41C41C51H51175.4°175.4°
H51C51C61H61157.2°57.2°
H51C51C61H61262.5°62.5°
H611C61O61HO6159.9°59.9°
H612C61O61HO6159.8°59.8°
H12C12C22H2256.3°56.3°
H22C22O22HO2261.2°61.2°
H22C22C32H32172.2°172.2°
H32C32O32HO3262.3°62.3°
H32C32C42H42166.9°166.9°
H42C42C52H52166.2°166.2°
H52C52C62H62144.8°44.8°
H52C52C62H622164.2°164.3°
H621C62O62HO6259.7°59.7°
H622C62O62HO6259.7°59.7°
H13C13C23H2355.6°55.6°
H23C23O23HO2363.8°63.8°
H23C23C33H33175.2°175.2°
H33C33O33HO3360.9°60.9°
H33C33C43H43175.7°175.7°
H43C43C53H53179.9°179.9°
H53C53C63H632172.0°172.0°
H53C53C63H63167.8°67.8°
H632C63O63HO6360.1°60.1°
H631C63O63HO6360.1°60.1°
H14C14C24H2451.7°51.7°
H24C24O24HO2460.2°60.2°
H24C24C34H34171.5°171.4°
H34C34O34HO3460.5°60.5°
H34C34C44H44170.5°170.4°
H44C44C54H54170.9°170.9°
H54C54C64H642172.5°172.5°
H54C54C64H64168.6°68.5°
H642C64O64HO6459.5°59.5°
H641C64O64HO6459.5°59.5°
H15C15C25H2557.1°57.0°
H25C25O25HO2559.8°59.8°
H25C25C35H35176.8°176.8°
H35C35O35HO3562.7°62.7°
H35C35C45H45170.8°170.8°
H45C45C55H55167.8°167.8°
H55C55C65H65174.0°74.0°
H55C55C65H652166.9°166.9°
H651C65O65HO6559.5°59.5°
H652C65O65HO6559.5°59.5°
H16C16C26H2658.3°58.3°
H26C26O26HO2662.7°62.7°
H26C26C36H36174.9°174.9°
H36C36O36HO3659.5°59.5°
H36C36C46H46172.8°172.7°
H46C46C56H56176.7°176.7°
H56C56C66H66262.2°62.2°
H56C56C66H66157.1°57.1°
H662C66O66HO6659.7°59.7°
H661C66O66HO6659.7°59.7°
H17C17C27H2761.1°61.1°
H27C27O27HO2761.2°61.2°
H27C27C37H37176.0°176.0°
H37C37O37HO3761.8°61.8°
H37C37C47H47175.6°175.6°
H47C47C57H57176.6°176.6°
H57C57C67H67157.7°57.6°
H57C57C67H67262.3°62.4°
H671C67O67HO6760.0°60.0°
H672C67O67HO6760.0°60.0°

219140

PDB entries from 2024-05-01

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