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I0U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C05sing1.51Å1.50Å
C05O06doub1.21Å1.22Å
C05N07sing1.35Å1.37Å
N07C52sing1.47Å1.47Å
N07C08sing1.47Å1.47Å
C08C11sing1.53Å1.51Å
C11C14sing1.53Å1.52Å
C14C17sing1.53Å1.52Å
C17C19sing1.53Å1.51Å
C19N22sing1.46Å1.47Å
N22C34sing1.38Å1.39ÅAromatic
N22C23sing1.37Å1.38ÅAromatic
C23N24doub1.31Å1.32ÅAromatic
N24C25sing1.36Å1.40ÅAromatic
C25C34doub1.41Å1.39ÅAromatic
C25C26sing1.40Å1.40ÅAromatic
C26C28doub1.38Å1.38ÅAromatic
C28BR29sing1.89Å1.90Å
C28C30sing1.39Å1.38ÅAromatic
C30C32doub1.38Å1.38ÅAromatic
C32C34sing1.39Å1.39ÅAromatic
C23C35sing1.48Å1.45Å
C35C50doub1.38Å1.36Å
C35C36sing1.41Å1.44Å
C36C38doub1.36Å1.35Å
C38C39sing1.51Å1.50Å
C38C43sing1.41Å1.44Å
C43O44doub1.22Å1.23Å
C43N45sing1.35Å1.40Å
N45C46sing1.46Å1.46Å
N45C50sing1.35Å1.37Å
C17C52sing1.53Å1.52Å
C17H18sing1.09Å1.10Å
C26H27sing1.08Å1.08Å
C01H03sing1.09Å1.10Å
C01H04sing1.09Å1.10Å
C01H02sing1.09Å1.10Å
C08H10sing1.09Å1.10Å
C08H09sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C19H20sing1.09Å1.10Å
C30H31sing1.08Å1.08Å
C32H33sing1.08Å1.08Å
C36H37sing1.08Å1.08Å
C39H42sing1.09Å1.10Å
C39H41sing1.09Å1.10Å
C39H40sing1.09Å1.10Å
C46H49sing1.09Å1.10Å
C46H48sing1.09Å1.10Å
C46H47sing1.09Å1.10Å
C50H51sing1.08Å1.08Å
C52H54sing1.09Å1.10Å
C52H53sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C05O06120.8°120.0°
C01C05N07118.5°120.0°
C05C01H03109.5°109.5°
C05C01H04109.5°109.5°
C05C01H02109.5°109.5°
O06C05N07120.6°120.0°
C05N07C52123.7°120.6°
C05N07C08122.8°120.6°
C52N07C08113.2°118.7°
N07C52C17111.7°108.8°
N07C52H54108.9°109.6°
N07C52H53108.9°109.5°
N07C08C11112.6°108.8°
N07C08H10108.7°109.6°
N07C08H09108.7°109.6°
C08C11C14111.2°109.3°
C11C08H10108.7°109.6°
C11C08H09108.7°109.6°
C08C11H12109.0°109.6°
C08C11H13109.0°109.5°
C11C14C17111.4°109.5°
C14C11H12109.0°109.5°
C14C11H13109.1°109.4°
C11C14H16109.0°109.5°
C11C14H15109.0°109.5°
C14C17C19112.6°109.5°
C14C17C52108.8°109.3°
C14C17H18108.4°109.6°
C17C14H16109.0°109.5°
C17C14H15109.0°109.4°
C17C19N22112.6°109.5°
C19C17C52110.2°109.5°
C19C17H18108.4°109.5°
C17C19H21108.7°109.4°
C17C19H20108.7°109.5°
C19N22C34124.1°126.4°
C19N22C23129.8°126.4°
N22C19H21108.7°109.4°
N22C19H20108.7°109.5°
C34N22C23106.1°107.2°
N22C34C25105.8°106.2°
N22C34C32131.9°133.8°
N22C23N24113.0°109.8°
N22C23C35124.9°125.2°
C23N24C25104.8°109.6°
N24C23C35122.0°125.1°
N24C25C34110.2°107.2°
N24C25C26130.4°133.4°
C34C25C26119.4°119.4°
C25C34C32122.4°120.0°
C25C26C28117.6°119.8°
C25C26H27121.2°120.1°
C26C28BR29118.7°119.8°
C26C28C30122.8°120.5°
C28C26H27121.2°120.1°
BR29C28C30118.5°119.7°
C28C30C32119.8°120.5°
C28C30H31120.1°119.8°
C30C32C34118.0°119.9°
C32C30H31120.1°119.8°
C30C32H33121.0°120.0°
C34C32H33121.0°120.1°
C23C35C50119.8°120.3°
C23C35C36123.1°120.2°
C50C35C36117.1°119.5°
C35C50N45122.4°120.5°
C35C50H51118.8°119.8°
C35C36C38121.9°119.0°
C35C36H37119.0°120.5°
C36C38C39122.0°120.3°
C36C38C43119.9°119.5°
C38C36H37119.0°120.5°
C39C38C43118.1°120.2°
C38C39H42109.5°109.5°
C38C39H41109.5°109.5°
C38C39H40109.4°109.4°
C38C43O44124.5°119.8°
C38C43N45116.6°120.5°
O44C43N45118.8°119.7°
C43N45C46117.3°119.5°
C43N45C50122.1°121.0°
C46N45C50120.6°119.5°
N45C46H49109.5°109.5°
N45C46H48109.5°109.5°
N45C46H47109.5°109.5°
N45C50H51118.8°119.8°
C52C17H18108.3°109.5°
C17C52H54108.9°109.6°
C17C52H53108.9°109.7°
H03C01H04109.5°109.5°
H03C01H02109.5°109.5°
H04C01H02109.4°109.4°
H10C08H09109.5°109.6°
H12C11H13109.5°109.5°
H16C14H15109.5°109.4°
H21C19H20109.4°109.5°
H42C39H41109.5°109.5°
H42C39H40109.5°109.5°
H41C39H40109.5°109.5°
H49C46H48109.5°109.4°
H49C46H47109.5°109.5°
H48C46H47109.5°109.4°
H54C52H53109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C05O06N07177.9°180.0°
C01C05N07C524.8°5.1°
C01C05N07C08178.5°174.9°
C05C01H03H04120.0°120.0°
C05C01H03H02120.0°120.0°
C05C01H04H02120.0°120.0°
O06C05N07C52177.2°174.9°
O06C05N07C083.6°5.1°
O06C05C01H030.0°95.3°
O06C05C01H04120.0°144.7°
O06C05C01H02120.0°24.7°
C05N07C52C08174.2°180.0°
C05N07C08C11132.9°126.4°
C05N07C52C17129.6°126.4°
N07C05C01H03178.0°84.7°
N07C05C01H0458.0°35.3°
N07C05C01H0262.0°155.3°
C05N07C08H1012.4°6.6°
C05N07C08H09106.7°113.7°
C05N07C52H54110.1°6.6°
C05N07C52H539.2°113.7°
C52N07C08C1152.9°53.6°
N07C52C17C1457.2°54.7°
N07C52C17C19178.9°174.6°
N07C52C17H54120.3°119.8°
N07C52C17H53120.3°119.8°
N07C52C17H1860.4°65.3°
C52N07C08H10173.3°173.4°
C52N07C08H0967.6°66.2°
N07C52H54H53119.0°120.3°
N07C08C11H10120.5°119.8°
N07C08C11H09120.5°119.8°
N07C08C11C1451.2°54.7°
C08N07C52C1756.2°53.6°
N07C08H10H09118.6°120.3°
N07C08C11H1269.0°65.3°
N07C08C11H13171.5°174.6°
C08N07C52H5464.2°173.4°
C08N07C52H53176.5°66.2°
C08C11C14H12120.2°120.0°
C08C11C14H13120.3°119.9°
C08C11C14C1754.0°61.4°
C11C08H10H09118.6°120.4°
C08C11H12H13119.2°120.1°
C08C11C14H16174.3°58.7°
C08C11C14H1566.3°178.6°
C11C14C17H16120.3°120.1°
C11C14C17H15120.3°120.0°
C11C14C17C19178.9°178.7°
C11C14C17C5256.4°61.4°
C11C14C17H1861.1°58.6°
C14C11C08H10171.7°174.5°
C14C11C08H0969.2°65.1°
C14C11H12H13119.2°120.0°
C11C14H16H15119.1°120.0°
C14C17C19C52121.7°119.8°
C14C17C19H18119.9°120.2°
C14C17C19N2256.7°174.9°
C14C17C52H18117.6°120.0°
C17C14C11H1266.2°58.6°
C17C14C11H13174.3°178.6°
C17C14H16H15119.1°119.9°
C14C17C19H2163.8°55.0°
C14C17C19H20177.2°65.0°
C14C17C52H5463.2°174.5°
C14C17C52H53177.5°65.1°
C17C19N22H21120.5°119.9°
C17C19N22H20120.5°120.1°
C17C19N22C34110.3°95.6°
C17C19N22C2367.2°84.4°
C19C17C52H18118.5°120.1°
C19C17C14H1660.8°61.2°
C19C17C14H1558.6°58.7°
C17C19H21H20118.6°120.1°
C19C17C52H5460.8°65.6°
C19C17C52H5358.5°54.8°
C19N22C34C23178.0°180.0°
C19N22C23N24176.6°180.0°
C19N22C34C25177.7°180.0°
C19N22C34C321.8°0.7°
C19N22C23C351.1°0.0°
N22C19C17C52178.4°65.3°
N22C19C17H1863.2°54.8°
N22C19H21H20118.6°120.0°
C34N22C23N241.2°0.0°
N22C34C25N240.6°0.0°
N22C34C25C32179.6°179.4°
N22C34C25C26180.0°179.9°
N22C34C32C30179.3°179.9°
C34N22C23C35179.0°180.0°
C34N22C19H2110.1°144.5°
C34N22C19H20129.2°24.5°
N22C34C32H330.7°0.5°
N22C23N24C35177.8°180.0°
N22C23N24C251.6°0.0°
C23N22C34C250.3°0.0°
C23N22C34C32179.9°179.3°
N22C23C35C50141.6°115.6°
N22C23C35C3637.9°64.6°
C23N22C19H21172.3°35.5°
C23N22C19H2053.3°155.5°
C23N24C25C341.3°0.1°
C23N24C25C26179.4°179.9°
N24C23C35C5036.0°64.4°
N24C23C35C36144.5°115.4°
N24C25C34C26179.4°179.9°
N24C25C26C28179.7°179.9°
N24C25C34C32179.0°179.4°
C25N24C23C35179.4°180.0°
N24C25C26H270.3°0.4°
C34C25C26C280.4°0.1°
C25C34C32C301.2°0.8°
C34C25C26H27179.6°179.7°
C25C34C32H33178.8°179.7°
C25C26C28H27180.0°179.6°
C25C26C28BR29179.9°179.6°
C25C26C28C300.5°0.3°
C26C25C34C320.4°0.5°
C26C28BR29C30179.6°180.0°
C26C28C30C320.3°0.0°
C26C28C30H31179.7°180.0°
BR29C28C30C32179.3°180.0°
BR29C28C26H270.1°0.0°
BR29C28C30H310.7°0.1°
C28C30C32H31180.0°180.0°
C28C30C32C341.1°0.6°
C30C28C26H27179.5°179.9°
C28C30C32H33178.9°180.0°
C30C32C34H33180.0°179.5°
C34C32C30H31178.9°179.5°
C23C35C50C36179.5°179.8°
C23C35C36C38179.4°179.9°
C23C35C50N45179.8°179.7°
C23C35C36H370.6°0.1°
C23C35C50H510.1°0.0°
C50C35C36C380.1°0.2°
C35C50N45C430.6°0.6°
C35C50N45C46179.7°179.8°
C35C50N45H51180.0°179.7°
C50C35C36H37179.9°179.7°
C35C36C38H37180.0°180.0°
C35C36C38C39180.0°179.9°
C35C36C38C430.4°0.0°
C36C35C50N450.3°0.5°
C36C35C50H51179.7°179.8°
C36C38C39C43179.6°179.9°
C36C38C43O44178.4°180.0°
C36C38C43N450.1°0.0°
C36C38C39H42180.0°90.0°
C36C38C39H4160.0°150.0°
C36C38C39H4060.0°30.0°
C39C38C43O442.0°0.1°
C39C38C43N45179.8°180.0°
C39C38C36H370.0°0.0°
C38C39H42H41120.0°120.0°
C38C39H42H40120.0°119.9°
C38C39H41H40120.0°119.9°
C38C43O44N45178.2°179.9°
C38C43N45C46179.5°180.0°
C38C43N45C500.3°0.3°
C43C38C36H37179.7°180.0°
C43C38C39H420.3°89.9°
C43C38C39H41119.7°30.1°
C43C38C39H40120.4°150.1°
O44C43N45C461.1°0.1°
O44C43N45C50178.0°179.7°
C43N45C46C50179.2°179.7°
C43N45C46H49180.0°0.0°
C43N45C46H4860.0°120.0°
C43N45C46H4760.0°120.1°
C43N45C50H51179.4°179.8°
N45C46H49H48120.0°120.0°
N45C46H49H47120.0°120.1°
N45C46H48H47120.0°120.0°
C46N45C50H510.3°0.1°
C50N45C46H490.8°179.7°
C50N45C46H48120.8°59.7°
C50N45C46H47119.2°60.3°
C52C17C14H16176.7°58.7°
C52C17C14H1563.9°178.6°
C52C17C19H2157.9°174.8°
C52C17C19H2061.1°54.8°
C17C52H54H53119.0°120.4°
H18C17C14H1659.1°178.7°
H18C17C14H15178.6°61.4°
H18C17C19H21176.3°65.1°
H18C17C19H2057.3°174.8°
H18C17C52H54179.3°54.5°
H18C17C52H5359.9°174.9°
H03C01H04H02120.0°120.0°
H10C08C11H1251.4°54.5°
H10C08C11H1368.0°65.7°
H09C08C11H12170.5°174.9°
H09C08C11H1351.0°54.7°
H12C11C14H1654.1°178.7°
H12C11C14H15173.5°61.4°
H13C11C14H1665.4°61.3°
H13C11C14H1554.0°58.7°
H31C30C32H331.1°0.0°
H42C39H41H40120.0°120.0°
H49C46H48H47120.0°120.0°

222926

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