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2DP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.54Å
C1O1sing1.43Å1.46Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
C2C3sing1.53Å1.56Å
C2O2sing1.43Å1.47Å
C2H2sing1.09Å1.12Å
C3O3sing1.43Å1.49Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.12Å
C4C5sing1.53Å1.62Å
C4O6sing1.43Å1.51Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
C5C6sing1.53Å1.57Å
C5O7sing1.43Å1.47Å
C5H5sing1.09Å1.12Å
C6O8sing1.43Å1.47Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.11Å
C11C12sing1.53Å1.56Å
C11O1sing1.43Å1.45Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.57Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C13C14sing1.53Å1.52Å
C13C15sing1.53Å1.56Å
C13H13sing1.09Å1.11Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C14H143sing1.09Å1.12Å
C15C16sing1.53Å1.56Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C16C17sing1.53Å1.56Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C17C18sing1.53Å1.58Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18C19sing1.53Å1.51Å
C18C20sing1.53Å1.57Å
C18H18sing1.09Å1.11Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.11Å
C19H193sing1.09Å1.12Å
C20C21sing1.53Å1.55Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.12Å
C21C22sing1.53Å1.55Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.12Å
C22C23sing1.53Å1.54Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.11Å
C23C24sing1.53Å1.51Å
C23C25sing1.53Å1.56Å
C23H23sing1.09Å1.12Å
C24H241sing1.09Å1.11Å
C24H242sing1.09Å1.11Å
C24H243sing1.09Å1.12Å
C25C26sing1.53Å1.56Å
C25H251sing1.09Å1.12Å
C25H252sing1.09Å1.12Å
C26C27sing1.53Å1.51Å
C26H261sing1.09Å1.11Å
C26H262sing1.09Å1.11Å
C27C28sing1.53Å1.51Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.12Å
C28C29sing1.53Å1.53Å
C28C30sing1.53Å1.53Å
C28H28sing1.09Å1.11Å
C29H291sing1.09Å1.11Å
C29H292sing1.09Å1.11Å
C29H293sing1.09Å1.12Å
C30H301sing1.09Å1.11Å
C30H302sing1.09Å1.11Å
C30H303sing1.09Å1.11Å
C41C42sing1.53Å1.58Å
C41O2sing1.43Å1.48Å
C41H411sing1.09Å1.11Å
C41H412sing1.09Å1.11Å
C42C43sing1.53Å1.59Å
C42H421sing1.09Å1.12Å
C42H422sing1.09Å1.12Å
C43C44sing1.53Å1.57Å
C43C45sing1.53Å1.59Å
C43H43sing1.09Å1.11Å
C44H441sing1.09Å1.11Å
C44H442sing1.09Å1.11Å
C44H443sing1.09Å1.12Å
C45C46sing1.53Å1.57Å
C45H451sing1.09Å1.11Å
C45H452sing1.09Å1.12Å
C46C47sing1.53Å1.58Å
C46H461sing1.09Å1.11Å
C46H462sing1.09Å1.11Å
C47C48sing1.53Å1.58Å
C47H471sing1.09Å1.12Å
C47H472sing1.09Å1.11Å
C48C49sing1.53Å1.54Å
C48C50sing1.53Å1.54Å
C48H48sing1.09Å1.12Å
C49H491sing1.09Å1.12Å
C49H492sing1.09Å1.11Å
C49H493sing1.09Å1.11Å
C50C51sing1.53Å1.54Å
C50H501sing1.09Å1.11Å
C50H502sing1.09Å1.12Å
C51C52sing1.53Å1.54Å
C51H511sing1.09Å1.11Å
C51H512sing1.09Å1.11Å
C52C53sing1.53Å1.58Å
C52H521sing1.09Å1.12Å
C52H522sing1.09Å1.12Å
C53C54sing1.53Å1.57Å
C53C55sing1.53Å1.60Å
C53H53sing1.09Å1.11Å
C54H541sing1.09Å1.12Å
C54H542sing1.09Å1.11Å
C54H543sing1.09Å1.12Å
C55C56sing1.53Å1.55Å
C55H551sing1.09Å1.11Å
C55H552sing1.09Å1.11Å
C56C57sing1.53Å1.55Å
C56H561sing1.09Å1.12Å
C56H562sing1.09Å1.12Å
C57C58sing1.53Å1.56Å
C57H571sing1.09Å1.11Å
C57H572sing1.09Å1.11Å
C58C59sing1.53Å1.56Å
C58C60sing1.53Å1.56Å
C58H58sing1.09Å1.11Å
C59H591sing1.09Å1.11Å
C59H592sing1.09Å1.12Å
C59H593sing1.09Å1.11Å
C60H601sing1.09Å1.11Å
C60H602sing1.09Å1.12Å
C60H603sing1.09Å1.11Å
O3P1sing1.61Å1.71Å
O4P1doub1.48Å1.52Å
O5P1sing1.61Å1.52Å
O5HO5sing0.97Å0.95Å
O6P1sing1.61Å1.70Å
O7HO7sing0.97Å0.95Å
O8P2sing1.61Å1.68Å
O9P2doub1.48Å1.55Å
O10P2sing1.61Å1.56Å
O10HOAsing0.97Å0.95Å
O11P2sing1.61Å1.51Å
O11CMsing1.43Å1.50Å
CMHM1sing1.09Å1.12Å
CMHM2sing1.09Å1.12Å
CMHM3sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1111.8°109.5°
C2C1H11111.3°109.5°
C2C1H12111.4°109.4°
C1C2C3113.6°109.4°
C1C2O2110.1°109.5°
C1C2H2106.8°109.5°
O1C1H11111.3°109.5°
O1C1H12111.3°109.5°
C1O1C11114.3°106.8°
H11C1H1299.1°109.4°
C3C2O2111.4°109.4°
C3C2H2105.4°109.5°
C2C3O3110.9°109.5°
C2C3H31111.7°109.5°
C2C3H32111.6°109.5°
O2C2H2109.2°109.5°
C2O2C41123.4°106.8°
O3C3H31111.7°109.4°
O3C3H32111.7°109.4°
C3O3P1122.8°106.8°
H31C3H3298.7°109.5°
C5C4O6118.7°109.4°
C5C4H41109.0°109.5°
C5C4H42108.9°109.4°
C4C5C6109.2°109.5°
C4C5O7114.1°109.5°
C4C5H5105.7°109.5°
O6C4H41108.9°109.5°
O6C4H42108.9°109.5°
C4O6P1128.2°106.8°
H41C4H42101.1°109.5°
C6C5O7106.8°109.5°
C6C5H5113.1°109.4°
C5C6O8113.4°109.5°
C5C6H61110.7°109.5°
C5C6H62110.7°109.5°
O7C5H5108.1°109.5°
C5O7HO7114.1°106.8°
O8C6H61110.8°109.4°
O8C6H62110.8°109.5°
C6O8P2120.9°106.8°
H61C6H6299.5°109.5°
C12C11O1109.0°109.5°
C12C11H111112.4°109.5°
C12C11H112112.3°109.5°
C11C12C13116.6°109.5°
C11C12H121109.7°109.5°
C11C12H122109.6°109.5°
O1C11H111112.4°109.4°
O1C11H112112.4°109.4°
H111C11H11298.1°109.5°
C13C12H121109.6°109.5°
C13C12H122109.6°109.4°
C12C13C14107.6°109.5°
C12C13C15113.5°109.5°
C12C13H13107.1°109.5°
H121C12H122100.5°109.5°
C14C13C15106.6°109.4°
C14C13H13114.0°109.5°
C13C14H141107.6°109.4°
C13C14H142112.9°109.5°
C13C14H143112.8°109.4°
C15C13H13108.1°109.5°
C13C15C16116.2°109.5°
C13C15H151109.8°109.5°
C13C15H152109.8°109.4°
H141C14H142113.0°109.5°
H141C14H143112.9°109.5°
H142C14H14397.6°109.5°
C16C15H151109.8°109.4°
C16C15H152109.7°109.5°
C15C16C17117.6°109.5°
C15C16H161109.3°109.5°
C15C16H162109.3°109.5°
H151C15H152100.4°109.5°
C17C16H161109.2°109.4°
C17C16H162109.3°109.4°
C16C17C18122.6°109.5°
C16C17H171107.5°109.5°
C16C17H172107.6°109.4°
H161C16H162100.9°109.5°
C18C17H171107.5°109.5°
C18C17H172107.5°109.5°
C17C18C19119.8°109.4°
C17C18C20122.0°109.5°
C17C18H1837.2°109.5°
H171C17H172102.3°109.5°
C19C18C20118.3°109.4°
C19C18H18156.7°109.5°
C18C19H191119.8°109.5°
C18C19H192108.6°109.5°
C18C19H193108.5°109.4°
C20C18H1884.9°109.5°
C18C20C21122.0°109.5°
C18C20H201107.7°109.5°
C18C20H202107.7°109.5°
H191C19H192108.5°109.5°
H191C19H193108.4°109.4°
H192C19H193101.5°109.5°
C21C20H201107.8°109.5°
C21C20H202107.7°109.4°
C20C21C22117.0°109.5°
C20C21H211109.5°109.5°
C20C21H212109.5°109.5°
H201C20H202102.1°109.4°
C22C21H211109.5°109.4°
C22C21H212109.5°109.4°
C21C22C23121.0°109.5°
C21C22H221108.1°109.5°
C21C22H222108.1°109.5°
H211C21H212100.7°109.6°
C23C22H221108.1°109.4°
C23C22H222108.1°109.5°
C22C23C24118.1°109.4°
C22C23C25121.9°109.5°
C22C23H2392.6°109.5°
H221C22H222101.8°109.4°
C24C23C25120.1°109.5°
C24C23H23149.4°109.5°
C23C24H241118.1°109.5°
C23C24H242109.1°109.5°
C23C24H243109.1°109.4°
C25C23H2329.3°109.4°
C23C25C26116.8°109.5°
C23C25H251109.6°109.5°
C23C25H252109.5°109.5°
H241C24H242109.2°109.5°
H241C24H243109.1°109.4°
H242C24H243101.0°109.5°
C26C25H251109.6°109.5°
C26C25H252109.6°109.5°
C25C26C27108.2°109.5°
C25C26H261112.6°109.5°
C25C26H262112.7°109.4°
H251C25H252100.5°109.4°
C27C26H261112.7°109.5°
C27C26H262112.7°109.5°
C26C27C28116.4°109.5°
C26C27H271109.7°109.5°
C26C27H272109.7°109.5°
H261C26H26297.8°109.5°
C28C27H271109.7°109.5°
C28C27H272109.7°109.4°
C27C28C29114.5°109.5°
C27C28C30111.4°109.5°
C27C28H28104.7°109.5°
H271C27H272100.5°109.4°
C29C28C30110.0°109.5°
C29C28H28106.2°109.4°
C28C29H291114.5°109.5°
C28C29H292110.4°109.5°
C28C29H293110.4°109.5°
C30C28H28109.8°109.5°
C28C30H301111.4°109.4°
C28C30H302111.5°109.4°
C28C30H303111.5°109.5°
H291C29H292110.3°109.5°
H291C29H293110.4°109.5°
H292C29H29399.8°109.4°
H301C30H302111.6°109.5°
H301C30H303111.5°109.5°
H302C30H30398.9°109.6°
C42C41O2105.5°109.5°
C42C41H411113.7°109.5°
C42C41H412113.7°109.4°
C41C42C43122.3°109.5°
C41C42H421107.6°109.5°
C41C42H422107.6°109.4°
O2C41H411113.7°109.5°
O2C41H412113.7°109.5°
H411C41H41296.8°109.5°
C43C42H421107.7°109.5°
C43C42H422107.7°109.5°
C42C43C44111.8°109.5°
C42C43C45111.3°109.4°
C42C43H43106.7°109.5°
H421C42H422102.1°109.5°
C44C43C45110.0°109.5°
C44C43H43108.1°109.5°
C43C44H441111.8°109.5°
C43C44H442111.3°109.5°
C43C44H443111.3°109.5°
C45C43H43108.6°109.4°
C43C45C46121.2°109.4°
C43C45H451108.1°109.5°
C43C45H452108.0°109.4°
H441C44H442111.4°109.5°
H441C44H443111.4°109.4°
H442C44H44399.0°109.4°
C46C45H451108.0°109.5°
C46C45H452108.0°109.5°
C45C46C47119.7°109.5°
C45C46H461108.6°109.5°
C45C46H462108.5°109.5°
H451C45H452101.9°109.5°
C47C46H461108.5°109.5°
C47C46H462108.5°109.4°
C46C47C48123.2°109.5°
C46C47H471107.3°109.5°
C46C47H472107.3°109.5°
H461C46H462101.5°109.5°
C48C47H471107.3°109.5°
C48C47H472107.3°109.5°
C47C48C49113.0°109.4°
C47C48C50109.2°109.5°
C47C48H48107.5°109.5°
H471C47H472102.4°109.4°
C49C48C50110.1°109.4°
C49C48H48106.4°109.5°
C48C49H491113.0°109.4°
C48C49H492110.9°109.4°
C48C49H493110.9°109.5°
C50C48H48110.5°109.5°
C48C50C51114.5°109.5°
C48C50H501110.4°109.5°
C48C50H502110.3°109.5°
H491C49H492110.9°109.6°
H491C49H493110.9°109.5°
H492C49H49399.4°109.5°
C51C50H501110.4°109.5°
C51C50H502110.3°109.5°
C50C51C52115.3°109.5°
C50C51H511110.1°109.5°
C50C51H512110.1°109.5°
H501C50H502100.0°109.5°
C52C51H511110.1°109.5°
C52C51H512110.1°109.5°
C51C52C53118.2°109.5°
C51C52H521109.1°109.5°
C51C52H522109.1°109.5°
H511C51H512100.1°109.4°
C53C52H521109.0°109.5°
C53C52H522109.0°109.4°
C52C53C54114.3°109.5°
C52C53C55106.7°109.5°
C52C53H53110.1°109.5°
H521C52H522101.0°109.4°
C54C53C55114.7°109.4°
C54C53H53101.2°109.5°
C53C54H541114.3°109.5°
C53C54H542110.5°109.5°
C53C54H543110.5°109.5°
C55C53H53109.7°109.5°
C53C55C56120.2°109.5°
C53C55H551108.3°109.5°
C53C55H552108.4°109.5°
H541C54H542110.5°109.5°
H541C54H543110.4°109.4°
H542C54H54399.8°109.4°
C56C55H551108.4°109.5°
C56C55H552108.3°109.4°
C55C56C57116.6°109.5°
C55C56H561109.6°109.5°
C55C56H562109.7°109.5°
H551C55H552101.6°109.5°
C57C56H561109.6°109.5°
C57C56H562109.7°109.4°
C56C57C58116.8°109.5°
C56C57H571109.5°109.5°
C56C57H572109.6°109.5°
H561C56H562100.5°109.5°
C58C57H571109.6°109.5°
C58C57H572109.6°109.4°
C57C58C59115.2°109.5°
C57C58C60111.2°109.5°
C57C58H58104.4°109.4°
H571C57H572100.6°109.5°
C59C58C60110.3°109.5°
C59C58H58105.4°109.4°
C58C59H591115.2°109.5°
C58C59H592110.2°109.5°
C58C59H593110.1°109.5°
C60C58H58110.0°109.5°
C58C60H601111.1°109.4°
C58C60H602111.6°109.5°
C58C60H603111.5°109.5°
H591C59H592110.1°109.5°
H591C59H593110.2°109.5°
H592C59H593100.0°109.5°
H601C60H602111.5°109.6°
H601C60H603111.7°109.4°
H602C60H60398.9°109.5°
O3P1O4110.5°109.5°
O3P1O5109.5°109.4°
O3P1O6100.9°109.4°
O4P1O5112.5°109.5°
O4P1O6111.7°109.5°
P1O5HO5109.5°106.8°
O5P1O6111.2°109.5°
O8P2O9109.4°109.5°
O8P2O10107.6°109.5°
O8P2O11109.2°109.5°
O9P2O10112.2°109.4°
O9P2O11108.8°109.5°
P2O10HOA107.6°106.8°
O10P2O11109.5°109.4°
P2O11CM124.1°106.8°
O11CMHM1124.1°109.5°
O11CMHM2107.0°109.5°
O11CMHM3107.0°109.5°
HM1CMHM2107.0°109.5°
HM1CMHM3107.1°109.5°
HM2CMHM3102.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1H11125.2°120.0°
C2C1O1H12125.3°120.0°
C2C1H11H12117.3°119.9°
C1C2C3O2125.1°119.9°
C1C2C3H2116.6°120.0°
C1C2O2H2116.9°120.1°
C1C2C3O3124.3°60.0°
C1C2C3H31110.5°179.9°
C1C2C3H321.0°60.0°
C2C1O1C11119.0°180.0°
C1C2O2C4179.7°150.0°
O1C1H11H12117.2°120.1°
O1C1C2C3120.2°60.0°
O1C1C2O25.6°59.9°
O1C1C2H2124.0°180.0°
C1O1C11C12162.2°180.0°
C1O1C11H11137.0°60.0°
C1O1C11H11272.5°60.0°
H11C1C2C3114.6°180.0°
H11C1C2O2119.6°60.1°
H11C1C2H21.2°60.0°
H11C1O1C116.2°60.0°
H12C1C2C35.0°60.1°
H12C1C2O2130.8°180.0°
H12C1C2H2110.8°60.0°
H12C1O1C11115.7°60.0°
C3C2O2H2116.0°120.0°
C2C3O3H31125.2°120.0°
C2C3O3H32125.2°120.0°
C2C3H31H32117.5°120.0°
C3C2O2C4147.3°90.0°
C2C3O3P1161.0°180.0°
O2C2C3O3110.6°60.0°
O2C2C3H3114.6°60.0°
O2C2C3H32124.1°180.0°
C2O2C41C42171.5°179.9°
C2O2C41H41163.3°60.0°
C2O2C41H41246.2°60.0°
H2C2C3O37.7°180.0°
H2C2C3H31133.0°60.0°
H2C2C3H32117.6°60.0°
H2C2O2C41163.4°30.0°
O3C3H31H32117.6°119.9°
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C52C53C55H53119.3°120.0°
C52C53C54H541180.0°60.0°
C52C53C54H54254.7°180.0°
C52C53C54H54354.8°60.0°
C52C53C55C56120.2°180.0°
C52C53C55H5515.0°60.0°
C52C53C55H552114.5°60.1°
H521C52C53C5416.7°60.0°
H521C52C53C55111.2°60.0°
H521C52C53H53129.8°180.0°
H522C52C53C54126.1°179.9°
H522C52C53C551.8°60.0°
H522C52C53H53120.8°60.1°
C54C53C55H53113.0°120.0°
C53C54H541H542125.3°120.1°
C53C54H541H543125.2°120.0°
C53C54H542H543116.3°120.0°
C54C53C55C567.5°60.0°
C54C53C55H551132.7°60.0°
C54C53C55H552117.7°179.9°
C55C53C54H54156.2°60.0°
C55C53C54H542178.4°60.0°
C55C53C54H54368.9°180.0°
C53C55C56H551125.2°120.0°
C53C55C56H552125.3°119.9°
C53C55H551H552114.0°120.0°
C53C55C56C57107.0°180.0°
C53C55C56H56118.2°60.0°
C53C55C56H562127.7°60.1°
H53C53C54H54161.7°180.0°
H53C53C54H54263.6°60.0°
H53C53C54H543173.1°60.0°
H53C53C55C56120.5°60.0°
H53C53C55H551114.3°180.0°
H53C53C55H5524.7°60.0°
H541C54H542H543116.2°119.9°
C56C55H551H552114.0°120.0°
C55C56C57H561125.3°120.0°
C55C56C57H562125.3°120.0°
C55C56H561H562115.4°120.0°
C55C56C57C5864.7°180.0°
C55C56C57H571170.0°60.0°
C55C56C57H57260.5°60.1°
H551C55C56C57127.8°60.0°
H551C55C56H561107.0°180.0°
H551C55C56H5622.5°60.0°
H552C55C56C5718.2°60.1°
H552C55C56H561143.5°60.0°
H552C55C56H562107.1°180.0°
C57C56H561H562115.4°120.0°
C56C57C58H571125.2°120.1°
C56C57C58H572125.3°120.0°
C56C57H571H572115.3°120.0°
C56C57C58C5971.6°180.0°
C56C57C58C60162.0°59.9°
C56C57C58H5843.5°60.0°
H561C56C57C5860.5°59.9°
H561C56C57H57164.7°180.0°
H561C56C57H572174.2°60.0°
H562C56C57C58170.0°60.1°
H562C56C57H57144.7°60.0°
H562C56C57H57264.8°180.0°
C58C57H571H572115.4°119.9°
C57C58C59C60126.8°120.1°
C57C58C59H58114.5°119.9°
C57C58C60H58115.2°120.0°
C57C58C59H591180.0°179.9°
C57C58C59H59254.7°59.9°
C57C58C59H59354.7°60.1°
C57C58C60H601179.9°60.1°
C57C58C60H60254.8°60.0°
C57C58C60H60354.7°180.0°
H571C57C58C5953.6°59.9°
H571C57C58C6072.7°180.0°
H571C57C58H58168.7°60.0°
H572C57C58C59163.1°60.0°
H572C57C58C6036.8°60.0°
H572C57C58H5881.8°180.0°
C59C58C60H58115.8°120.0°
C58C59H591H592125.3°120.0°
C58C59H591H593125.3°120.0°
C58C59H592H593116.0°120.0°
C59C58C60H60150.9°60.0°
C59C58C60H60274.2°180.0°
C59C58C60H603176.3°59.9°
C60C58C59H59153.2°60.0°
C60C58C59H592178.5°180.0°
C60C58C59H59372.1°60.0°
C58C60H601H602125.2°120.0°
C58C60H601H603125.3°119.9°
C58C60H602H603117.5°120.0°
H58C58C59H59165.4°60.0°
H58C58C59H59259.8°60.0°
H58C58C59H593169.3°180.0°
H58C58C60H60164.9°179.9°
H58C58C60H602170.0°60.0°
H58C58C60H60360.5°60.0°
H591C59H592H593115.9°120.0°
H601C60H602H603117.6°120.0°
O3P1O4O5122.7°120.0°
O3P1O4O6111.5°120.0°
O3P1O5O6110.6°120.0°
O3P1O5HO5180.0°60.0°
O4P1O5O6126.1°120.0°
O4P1O5HO556.8°180.0°
HO5O5P1O669.3°60.0°
O8P2O9O10119.4°120.0°
O8P2O9O11119.2°120.1°
O8P2O10O11118.6°120.0°
O8P2O10HOA180.0°59.9°
O8P2O11CM167.0°180.0°
O9P2O10O11121.0°120.0°
O9P2O10HOA59.5°179.9°
O9P2O11CM47.5°59.9°
O10P2O11CM75.4°60.0°
HOAO10P2O1161.5°60.1°
P2O11CMHM1180.0°180.0°
P2O11CMHM254.7°60.0°
P2O11CMHM354.7°60.0°
O11CMHM1HM2125.2°120.0°
O11CMHM1HM3125.3°120.0°
O11CMHM2HM3112.5°120.0°
HM1CMHM2HM3112.6°120.0°

218196

PDB entries from 2024-04-10

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