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JH0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O4Cdoub1.23Å1.23Å
CC12sing1.52Å1.53Å
CNsing1.37Å1.36Å
C12C13sing1.53Å1.54Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C13C14sing1.53Å1.54Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C14C15sing1.53Å1.54Å
C14H141sing1.10Å1.10Å
C14H142sing1.10Å1.10Å
C15C16sing1.53Å1.54Å
C15H151sing1.10Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.53Å1.54Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C17C18sing1.53Å1.55Å
C17H171sing1.10Å1.10Å
C17H172sing1.10Å1.10Å
C18C19sing1.53Å1.53Å
C18H181sing1.10Å1.10Å
C18H182sing1.10Å1.10Å
C19C20sing1.53Å1.53Å
C19H191sing1.10Å1.10Å
C19H192sing1.10Å1.10Å
C20C21sing1.53Å1.54Å
C20H201sing1.10Å1.10Å
C20H202sing1.09Å1.10Å
C21C22sing1.53Å1.54Å
C21H211sing1.10Å1.10Å
C21H212sing1.10Å1.10Å
C22C23sing1.53Å1.53Å
C22H221sing1.10Å1.10Å
C22H222sing1.10Å1.10Å
C23C24sing1.53Å1.55Å
C23H231sing1.10Å1.10Å
C23H232sing1.10Å1.10Å
C24C25sing1.53Å1.54Å
C24H241sing1.10Å1.10Å
C24H242sing1.10Å1.10Å
C25C26sing1.52Å1.53Å
C25H251sing1.10Å1.10Å
C25H252sing1.10Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
NON1sing1.40Å1.40Å
NC1sing1.45Å1.47Å
ON1HN1sing0.97Å0.95Å
C1C2sing1.53Å1.54Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C2C3sing1.53Å1.54Å
C2H21sing1.10Å1.10Å
C2H22sing1.10Å1.10Å
C3C4sing1.53Å1.53Å
C3H31sing1.10Å1.10Å
C3H32sing1.10Å1.10Å
C4C5sing1.53Å1.55Å
C4H41Asing1.10Å1.10Å
C4H42Asing1.10Å1.10Å
C5N2sing1.44Å1.46Å
C5C6sing1.52Å1.52Å
C5H5sing1.10Å1.10Å
N2C11sing1.38Å1.34Å
N2HN2sing1.02Å1.00Å
C11O3doub1.23Å1.22Å
C11C39sing1.49Å1.52Å
C39N4sing1.47Å1.48Å
C39C37sing1.51Å1.55Å
C39H39sing1.09Å1.10Å
N4C38doub1.30Å1.26Å
C38O6sing1.35Å1.44Å
C38C45sing1.44Å1.50Å
O6C37sing1.42Å1.43Å
C37H371sing1.10Å1.10Å
C37H372sing1.09Å1.10Å
C45C44doub1.40Å1.41ÅAromatic
C45C40sing1.40Å1.40ÅAromatic
C44C43sing1.40Å1.40ÅAromatic
C44H44sing1.09Å1.08Å
C43C42doub1.39Å1.40ÅAromatic
C43H43sing1.09Å1.08Å
C42C41sing1.39Å1.40ÅAromatic
C42H42sing1.09Å1.08Å
C41C40doub1.40Å1.40ÅAromatic
C41H41sing1.09Å1.08Å
C40O7sing1.36Å1.34Å
O7HO7sing0.97Å0.95Å
C6Odoub1.23Å1.22Å
C6O1sing1.36Å1.47Å
O1C7sing1.43Å1.44Å
C7C9sing1.52Å1.52Å
C7C8sing1.53Å1.52Å
C7H7sing1.10Å1.10Å
C9H91sing1.09Å1.10Å
C9H92sing1.10Å1.10Å
C9H93sing1.10Å1.10Å
C8C10sing1.52Å1.51Å
C8H81sing1.10Å1.10Å
C8H82sing1.10Å1.10Å
C10O2doub1.23Å1.21Å
C10N1sing1.39Å1.34Å
N1C35sing1.44Å1.47Å
N1H1sing1.02Å1.00Å
C35C36sing1.52Å1.52Å
C35C34sing1.53Å1.54Å
C35H35sing1.10Å1.10Å
C36O5doub1.24Å1.22Å
C36N3sing1.37Å1.34Å
C34C33sing1.53Å1.53Å
C34H341sing1.10Å1.10Å
C34H342sing1.10Å1.10Å
C33C32sing1.52Å1.52Å
C33H331sing1.10Å1.10Å
C33H332sing1.10Å1.10Å
C32C31sing1.52Å1.54Å
C32H321sing1.10Å1.10Å
C32H322sing1.10Å1.10Å
C31N3sing1.45Å1.47Å
C31H311sing1.10Å1.10Å
C31H312sing1.09Å1.10Å
N3ON2sing1.41Å1.36Å
ON2SI70sing1.67Å1.79Å
SI70C27sing1.86Å67.42Å
SI70C46sing1.88Å67.42Å
SI70C47sing1.88Å67.42Å
C27C28sing1.55Å0.00Å
C27C29sing1.54Å0.00Å
C27C30sing1.55Å0.00Å
C28H281sing1.10Å0.00Å
C28H282sing1.10Å0.00Å
C28H283sing1.10Å0.00Å
C29H291sing1.10Å0.00Å
C29H292sing1.10Å0.00Å
C29H293sing1.10Å0.00Å
C30H301sing1.10Å0.00Å
C30H302sing1.10Å0.00Å
C30H303sing1.10Å0.00Å
C46C51doub1.39Å0.00ÅAromatic
C46C52sing1.39Å0.00ÅAromatic
C47C53doub1.38Å0.00ÅAromatic
C47C57sing1.38Å0.00ÅAromatic
C48C49sing1.39Å0.00ÅAromatic
C48C52doub1.39Å0.00ÅAromatic
C48H48sing1.09Å0.00Å
C49C50doub1.39Å0.00ÅAromatic
C49H49sing1.09Å0.00Å
C50C51sing1.40Å0.00ÅAromatic
C50H50sing1.09Å0.00Å
C51H51sing1.09Å0.00Å
C52H52sing1.09Å0.00Å
C53C54sing1.40Å0.00ÅAromatic
C53H53sing1.09Å0.00Å
C54C55doub1.39Å0.00ÅAromatic
C54H54sing1.09Å0.00Å
C55C56sing1.39Å0.00ÅAromatic
C55H55sing1.09Å0.00Å
C56C57doub1.40Å0.00ÅAromatic
C56H56sing1.09Å0.00Å
C57H57sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O4CC12119.9°119.8°
O4CN121.2°123.5°
C12CN119.0°116.6°
CC12C13114.5°112.6°
CC12H121107.8°108.3°
CC12H122106.7°109.2°
CNON1117.1°123.8°
CNC1129.0°123.8°
C13C12H121107.8°110.4°
C13C12H122106.7°109.9°
C12C13C14110.1°112.6°
C12C13H131109.3°110.6°
C12C13H132109.2°108.3°
H121C12H122113.5°106.2°
C14C13H131109.3°109.3°
C14C13H132109.1°109.0°
C13C14C15113.5°111.2°
C13C14H141108.2°109.9°
C13C14H142107.2°109.5°
H131C13H132109.9°106.9°
C15C14H141108.1°109.2°
C15C14H142107.2°109.6°
C14C15C16114.6°111.2°
C14C15H151107.8°109.5°
C14C15H152106.6°109.0°
H141C14H142112.7°107.2°
C16C15H151107.8°109.6°
C16C15H152106.6°110.1°
C15C16C17112.9°113.5°
C15C16H161108.4°109.8°
C15C16H162107.6°108.9°
H151C15H152113.6°107.3°
C17C16H161108.3°109.7°
C17C16H162107.6°108.1°
C16C17C18114.5°113.4°
C16C17H171107.8°109.6°
C16C17H172106.7°107.5°
H161C16H162112.2°106.7°
C18C17H171107.8°109.8°
C18C17H172106.7°109.5°
C17C18C19113.5°113.3°
C17C18H181108.1°109.5°
C17C18H182107.2°109.8°
H171C17H172113.5°106.8°
C19C18H181108.2°107.5°
C19C18H182107.2°109.7°
C18C19C20115.3°113.4°
C18C19H191107.5°108.1°
C18C19H192106.2°109.1°
H181C18H182112.7°106.8°
C20C19H191107.6°108.9°
C20C19H192106.2°110.3°
C19C20C21111.3°113.2°
C19C20H201108.9°109.1°
C19C20H202108.5°110.4°
H191C19H192114.2°106.8°
C21C20H201108.9°108.0°
C21C20H202108.4°109.5°
C20C21C22114.0°115.6°
C20C21H211108.0°108.5°
C20C21H212107.0°108.8°
H201C20H202110.9°106.4°
C22C21H211108.0°109.4°
C22C21H212107.0°108.2°
C21C22C23115.8°115.7°
C21C22H221107.4°108.2°
C21C22H222106.0°109.3°
H211C21H212113.0°105.8°
C23C22H221107.4°108.8°
C23C22H222106.0°108.5°
C22C23C24114.3°113.4°
C22C23H231107.9°110.1°
C22C23H232106.8°108.0°
H221C22H222114.5°105.8°
C24C23H231107.9°109.9°
C24C23H232106.8°109.0°
C23C24C25111.5°111.2°
C23C24H241108.8°109.6°
C23C24H242108.4°110.1°
H231C23H232113.3°106.2°
C25C24H241108.8°109.6°
C25C24H242108.3°109.0°
C24C25C26117.2°111.5°
C24C25H251107.0°109.9°
C24C25H252105.2°109.9°
H241C24H242111.0°107.2°
C26C25H251107.0°109.1°
C26C25H252105.2°109.1°
C25C26H261109.5°111.0°
C25C26H262109.4°110.3°
C25C26H263109.5°111.0°
H251C25H252115.7°107.2°
H261C26H262109.5°108.1°
H261C26H263109.5°108.3°
H262C26H263109.5°108.1°
ON1NC1113.9°112.4°
NON1HN1109.5°100.5°
NC1C2108.3°112.9°
NC1H11109.9°106.8°
NC1H12110.1°107.8°
C2C1H11109.8°109.7°
C2C1H12110.1°111.4°
C1C2C3117.5°112.8°
C1C2H21106.9°108.4°
C1C2H22105.0°109.9°
H11C1H12108.6°108.1°
C3C2H21106.9°108.9°
C3C2H22105.0°109.6°
C2C3C4116.8°111.2°
C2C3H31107.1°109.5°
C2C3H32105.4°109.8°
H21C2H22116.0°107.1°
C4C3H31107.1°109.5°
C4C3H32105.4°109.7°
C3C4C5116.9°112.6°
C3C4H41A107.1°109.5°
C3C4H42A105.3°108.7°
H31C3H32115.5°107.2°
C5C4H41A107.1°109.8°
C5C4H42A105.4°109.6°
C4C5N2117.4°111.0°
C4C5C6113.6°110.0°
C4C5H599.4°111.0°
H41AC4H42A115.4°106.4°
N2C5C6106.3°111.2°
N2C5H5107.8°106.5°
C5N2C11129.3°123.3°
C5N2HN2115.4°118.3°
C6C5H5112.1°106.9°
C5C6O121.7°122.7°
C5C6O1119.9°112.3°
C11N2HN2115.3°118.4°
N2C11O3124.6°126.3°
N2C11C39117.9°114.2°
O3C11C39117.4°119.5°
C11C39N4112.1°106.7°
C11C39C37119.7°112.4°
C11C39H3998.0°108.7°
N4C39C37101.3°105.3°
N4C39H39117.4°111.7°
C39N4C38113.8°103.9°
C37C39H39109.4°111.9°
C39C37O6105.8°104.4°
C39C37H371110.7°111.8°
C39C37H372111.5°113.7°
N4C38O6111.1°119.2°
N4C38C45125.2°127.6°
O6C38C45123.7°113.2°
C38O6C37107.9°104.8°
C38C45C44117.8°119.6°
C38C45C40121.9°121.4°
O6C37H371110.7°108.2°
O6C37H372111.5°109.7°
H371C37H372106.7°108.9°
C44C45C40120.3°119.0°
C45C44C43120.6°120.5°
C45C44H44119.7°120.2°
C45C40C41118.8°120.5°
C45C40O7121.5°120.4°
C43C44H44119.7°119.4°
C44C43C42119.1°120.0°
C44C43H43120.4°120.0°
C42C43H43120.4°120.0°
C43C42C41120.4°120.0°
C43C42H42119.8°120.0°
C41C42H42119.8°120.0°
C42C41C40120.7°120.0°
C42C41H41119.6°119.6°
C40C41H41119.6°120.4°
C41C40O7119.6°119.1°
C40O7HO7109.5°110.2°
OC6O1118.4°125.0°
C6O1C7121.3°115.8°
O1C7C9114.5°108.6°
O1C7C8108.4°108.5°
O1C7H7107.4°108.0°
C9C7C8111.2°111.1°
C9C7H7104.3°109.7°
C7C9H91109.5°111.3°
C7C9H92109.5°110.5°
C7C9H93109.5°111.0°
C8C7H7111.0°110.8°
C7C8C10113.2°112.9°
C7C8H81108.3°110.2°
C7C8H82107.4°110.1°
H91C9H92109.4°108.5°
H91C9H93109.4°108.8°
H92C9H93109.5°106.7°
C10C8H81108.2°107.6°
C10C8H82107.5°107.4°
C8C10O2116.6°123.4°
C8C10N1118.4°111.5°
H81C8H82112.4°108.5°
O2C10N1124.8°125.1°
C10N1C35124.6°122.7°
C10N1H1117.7°119.4°
C35N1H1117.7°117.9°
N1C35C36115.6°109.2°
N1C35C34116.5°114.3°
N1C35H3598.9°104.6°
C36C35C34108.0°115.8°
C36C35H35109.2°105.4°
C35C36O5118.7°119.3°
C35C36N3118.8°117.6°
C34C35H35108.0°106.3°
C35C34C33118.9°116.5°
C35C34H341106.4°107.9°
C35C34H342104.3°109.4°
O5C36N3122.5°123.1°
C36N3C31125.8°131.4°
C36N3ON2117.1°114.6°
C33C34H341106.4°107.0°
C33C34H342104.2°109.2°
C34C33C32113.0°114.1°
C34C33H331108.3°110.5°
C34C33H332107.5°107.9°
H341C34H342117.2°106.4°
C32C33H331108.3°110.1°
C32C33H332107.5°107.8°
C33C32C31115.3°113.2°
C33C32H321107.6°110.0°
C33C32H322106.3°107.9°
H331C33H332112.3°106.0°
C31C32H321107.6°110.4°
C31C32H322106.3°108.3°
C32C31N3110.8°112.6°
C32C31H311109.0°109.0°
C32C31H312108.7°110.8°
H321C32H322114.1°106.8°
N3C31H311109.1°108.4°
N3C31H312108.8°108.2°
C31N3ON2117.0°112.4°
H311C31H312110.5°107.8°
N3ON2SI70120.5°111.9°
ON2SI70C27124.1°113.0°
ON2SI70C46124.1°107.8°
ON2SI70C47124.1°108.1°
C27SI70C46NaN°113.6°
C27SI70C47NaN°111.3°
SI70C27C2890.0°110.2°
SI70C27C2990.0°110.2°
SI70C27C3090.0°110.2°
C46SI70C47NaN°102.4°
SI70C46C5190.0°119.4°
SI70C46C5290.0°119.4°
SI70C47C5390.0°119.3°
SI70C47C5790.0°119.3°
C28C27C2990.0°108.8°
C28C27C3090.0°108.8°
C27C28H28190.0°111.6°
C27C28H28290.0°110.9°
C27C28H28390.0°111.6°
C29C27C3090.0°108.8°
C27C29H29190.0°111.6°
C27C29H29290.0°111.5°
C27C29H29390.0°111.0°
C27C30H30190.0°111.5°
C27C30H30290.0°111.0°
C27C30H30390.0°111.5°
H281C28H28290.0°107.5°
H281C28H28390.0°107.6°
H282C28H28390.0°107.5°
H291C29H29290.0°107.6°
H291C29H29390.0°107.5°
H292C29H29390.0°107.5°
H301C30H30290.0°107.5°
H301C30H30390.0°107.6°
H302C30H30390.0°107.6°
C51C46C5290.0°121.2°
C46C51C5090.0°119.4°
C46C51H5190.0°122.1°
C46C52C4890.0°119.4°
C46C52H5290.0°122.1°
C53C47C5790.0°121.5°
C47C53C5490.0°119.3°
C47C53H5390.0°122.2°
C47C57C5690.0°119.3°
C47C57H5790.0°122.2°
C49C48C5290.0°120.0°
C49C48H4890.0°120.0°
C48C49C5090.0°120.0°
C48C49H4990.0°120.0°
C52C48H4890.0°120.0°
C48C52H5290.0°118.6°
C50C49H4990.0°120.0°
C49C50C5190.0°120.0°
C49C50H5090.0°120.0°
C51C50H5090.0°120.0°
C50C51H5190.0°118.5°
C54C53H5390.0°118.5°
C53C54C5590.0°120.0°
C53C54H5490.0°120.0°
C55C54H5490.0°120.0°
C54C55C5690.0°120.0°
C54C55H5590.0°120.0°
C56C55H5590.0°120.0°
C55C56C5790.0°120.0°
C55C56H5690.0°120.0°
C57C56H5690.0°120.0°
C56C57H5790.0°118.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O4CC12N179.7°179.9°
O4CC12C132.6°30.1°
O4CC12H121117.4°152.6°
O4CC12H122120.4°92.2°
O4CNON13.2°180.0°
O4CNC1176.8°0.0°
CC12C13H121120.0°121.2°
CC12C13H122117.7°122.0°
CC12H121H122117.9°117.1°
CC12C13C14179.7°62.6°
CC12C13H13160.3°60.0°
CC12C13H13259.9°176.8°
C12CNON1176.5°0.1°
C12CNC13.5°179.9°
NCC12C13177.1°150.0°
NCC12H12162.9°27.5°
NCC12H12259.3°87.7°
CNON1C1180.0°180.0°
CNON1HN115.5°91.9°
CNC1C2130.8°120.0°
CNC1H11109.3°119.5°
CNC1H1210.3°3.5°
C13C12H121H122118.0°119.1°
C12C13C14H131120.0°123.3°
C12C13C14H132119.8°120.2°
C12C13H131H132119.8°117.7°
C12C13C14C15162.2°178.9°
C12C13C14H14177.8°60.0°
C12C13C14H14244.0°57.6°
H121C12C13C1459.7°58.7°
H121C12C13H131179.7°178.7°
H121C12C13H13260.1°62.0°
H122C12C13C1462.6°175.5°
H122C12C13H13157.4°61.9°
H122C12C13H132177.7°54.8°
C14C13H131H132119.7°117.8°
C13C14C15H141120.0°121.5°
C13C14C15H142118.2°121.3°
C13C14H141H142118.3°119.0°
C13C14C15C16118.4°178.7°
C13C14C15H1511.6°60.0°
C13C14C15H152123.9°57.1°
H131C13C14C1542.2°57.8°
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SI70C27C29C3090.0°120.9°
SI70C27C28H28190.0°60.3°
SI70C27C28H28290.0°179.9°
SI70C27C28H28390.0°60.1°
SI70C27C29H29190.0°60.2°
SI70C27C29H29290.0°60.1°
SI70C27C29H29390.0°180.0°
SI70C27C30H30190.0°60.1°
SI70C27C30H30290.0°179.9°
SI70C27C30H30390.0°60.2°
C27SI70C46C5190.0°0.3°
C27SI70C46C5290.0°179.9°
C27SI70C47C5390.0°61.7°
C27SI70C47C5790.0°118.5°
C46SI70C27C2890.0°60.0°
C46SI70C27C2990.0°180.0°
C46SI70C27C3090.0°60.0°
SI70C46C51C5290.0°179.8°
C46SI70C47C5390.0°60.0°
C46SI70C47C5790.0°119.8°
SI70C46C52C4890.0°179.8°
SI70C46C51C5090.0°179.8°
SI70C46C51H5190.0°0.2°
SI70C46C52H5290.0°0.1°
C47SI70C27C2890.0°54.9°
C47SI70C27C2990.0°65.1°
C47SI70C27C3090.0°174.9°
C47SI70C46C5190.0°119.8°
C47SI70C46C5290.0°60.0°
SI70C47C53C5790.0°179.8°
SI70C47C53C5490.0°179.8°
SI70C47C53H5390.0°0.1°
SI70C47C57C5690.0°179.8°
SI70C47C57H5790.0°0.2°
C28C27C29C3090.0°118.3°
C27C28H281H28290.0°121.9°
C27C28H281H28390.0°122.7°
C27C28H282H28390.0°122.2°
C28C27C29H29190.0°179.0°
C28C27C29H29290.0°60.7°
C28C27C29H29390.0°59.1°
C28C27C30H30190.0°60.7°
C28C27C30H30290.0°59.1°
C28C27C30H30390.0°179.0°
C29C27C28H28190.0°60.6°
C29C27C28H28290.0°59.2°
C29C27C28H28390.0°179.0°
C27C29H291H29290.0°122.6°
C27C29H291H29390.0°121.9°
C27C29H292H29390.0°121.8°
C29C27C30H30190.0°179.0°
C29C27C30H30290.0°59.2°
C29C27C30H30390.0°60.7°
C30C27C28H28190.0°178.9°
C30C27C28H28290.0°59.0°
C30C27C28H28390.0°60.8°
C30C27C29H29190.0°60.7°
C30C27C29H29290.0°179.0°
C30C27C29H29390.0°59.2°
C27C30H301H30290.0°121.9°
C27C30H301H30390.0°122.5°
C27C30H302H30390.0°122.2°
H281C28H282H28390.0°115.5°
H291C29H292H29390.0°115.5°
H301C30H302H30390.0°115.6°
C51C46C52C4890.0°0.0°
C46C51C50C4990.0°0.0°
C46C51C50H5190.0°180.0°
C46C51C50H5090.0°180.0°
C51C46C52H5290.0°179.8°
C46C52C48C4990.0°0.0°
C46C52C48H5290.0°179.9°
C46C52C48H4890.0°180.0°
C52C46C51C5090.0°0.1°
C52C46C51H5190.0°180.0°
C47C53C54H5390.0°179.9°
C47C53C54C5590.0°0.0°
C47C53C54H5490.0°180.0°
C53C47C57C5690.0°0.0°
C53C47C57H5790.0°180.0°
C57C47C53C5490.0°0.0°
C57C47C53H5390.0°179.9°
C47C57C56C5590.0°0.0°
C47C57C56H5790.0°180.0°
C47C57C56H5690.0°179.9°
C49C48C52H4890.0°180.0°
C48C49C50H4990.0°179.9°
C48C49C50C5190.0°0.0°
C48C49C50H5090.0°180.0°
C49C48C52H5290.0°179.9°
C52C48C49C5090.0°0.0°
C52C48C49H4990.0°180.0°
H48C48C49C5090.0°180.0°
H48C48C49H4990.0°0.0°
H48C48C52H5290.0°0.1°
C49C50C51H5090.0°180.0°
C49C50C51H5190.0°180.0°
H49C49C50C5190.0°179.9°
H49C49C50H5090.0°0.1°
H50C50C51H5190.0°0.0°
C53C54C55H5490.0°180.0°
C53C54C55C5690.0°0.0°
C53C54C55H5590.0°180.0°
H53C53C54C5590.0°179.9°
H53C53C54H5490.0°0.1°
C54C55C56H5590.0°180.0°
C54C55C56C5790.0°0.0°
C54C55C56H5690.0°179.9°
H54C54C55C5690.0°180.0°
H54C54C55H5590.0°0.0°
C55C56C57H5690.0°179.9°
C55C56C57H5790.0°180.0°
H55C55C56C5790.0°180.0°
H55C55C56H5690.0°0.1°
H56C56C57H5790.0°0.1°

218500

PDB entries from 2024-04-17

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