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79N

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.52Å
OC15doub1.21Å1.20Å
C1C2sing1.53Å1.53Å
O1C15sing1.34Å1.34Å
O1C16sing1.45Å1.45Å
C2C3sing1.53Å1.52Å
O2C17sing1.43Å1.42Å
C3C4sing1.53Å1.53Å
O3C18sing1.43Å1.42Å
C4C5sing1.53Å1.53Å
C5C6sing1.53Å1.52Å
C6C7sing1.53Å1.53Å
C7C8sing1.51Å1.49Å
C8C9doub1.31Å1.32Å
C9C10sing1.51Å1.49Å
C10C11sing1.53Å1.51Å
C11C12sing1.53Å1.51Å
C12C13sing1.53Å1.52Å
C13C14sing1.53Å1.52Å
C14C15sing1.51Å1.50Å
C16C17sing1.53Å1.51Å
C17C18sing1.53Å1.51Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
CHBsing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
O2HO2sing0.97Å0.95Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
O3HO3sing0.97Å0.95Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2113.4°109.4°
C1CH109.5°109.5°
C1CHA109.5°109.4°
C1CHB109.5°109.5°
CC1H1108.5°109.5°
CC1H1A108.5°109.5°
OC15O1123.9°120.0°
OC15C14125.1°120.0°
C1C2C3114.8°109.5°
C2C1H1108.5°109.4°
C2C1H1A108.5°109.4°
C1C2H2108.1°109.5°
C1C2H2A108.1°109.5°
C15O1C16117.4°117.0°
O1C15C14111.1°120.0°
O1C16C17105.6°109.4°
O1C16H16110.4°109.5°
O1C16H16A110.4°109.5°
C2C3C4114.1°109.5°
C3C2H2108.1°109.4°
C3C2H2A108.1°109.5°
C2C3H3108.3°109.5°
C2C3H3A108.3°109.5°
O2C17C16109.6°109.5°
O2C17C18109.9°109.5°
C17O2HO2109.5°113.9°
O2C17H17108.8°109.5°
C3C4C5114.0°109.5°
C4C3H3108.3°109.5°
C4C3H3A108.3°109.5°
C3C4H4108.3°109.5°
C3C4H4A108.3°109.5°
O3C18C17110.6°109.5°
C18O3HO3109.5°114.0°
O3C18H18109.2°109.4°
O3C18H18A109.2°109.5°
C4C5C6114.8°109.5°
C5C4H4108.3°109.4°
C5C4H4A108.3°109.5°
C4C5H5108.1°109.4°
C4C5H5A108.1°109.5°
C5C6C7115.1°109.5°
C6C5H5108.1°109.5°
C6C5H5A108.1°109.5°
C5C6H6108.1°109.5°
C5C6H6A108.0°109.5°
C6C7C8112.3°109.5°
C7C6H6108.0°109.5°
C7C6H6A108.1°109.5°
C6C7H7108.8°109.4°
C6C7H7A108.8°109.5°
C7C8C9127.4°120.0°
C8C7H7108.8°109.5°
C8C7H7A108.7°109.5°
C7C8H8116.3°120.0°
C8C9C10127.4°120.0°
C9C8H8116.3°119.9°
C8C9H9116.3°120.0°
C9C10C11110.7°109.4°
C10C9H9116.3°120.0°
C9C10H10109.2°109.5°
C9C10H10A109.1°109.5°
C10C11C12114.3°109.5°
C11C10H10109.2°109.5°
C11C10H10A109.2°109.4°
C10C11H11108.2°109.5°
C10C11H11A108.2°109.5°
C11C12C13114.5°109.5°
C12C11H11108.2°109.4°
C12C11H11A108.2°109.4°
C11C12H12108.2°109.4°
C11C12H12A108.2°109.5°
C12C13C14112.5°109.5°
C13C12H12108.2°109.5°
C13C12H12A108.2°109.5°
C12C13H13108.7°109.5°
C12C13H13A108.7°109.5°
C13C14C15112.6°109.5°
C14C13H13108.7°109.4°
C14C13H13A108.7°109.4°
C13C14H14108.7°109.4°
C13C14H14A108.7°109.4°
C15C14H14108.7°109.5°
C15C14H14A108.7°109.5°
C16C17C18112.9°109.4°
C17C16H16110.4°109.5°
C17C16H16A110.4°109.5°
C16C17H17107.8°109.5°
C18C17H17107.7°109.5°
C17C18H18109.2°109.5°
C17C18H18A109.2°109.5°
HCHA109.4°109.5°
HCHB109.5°109.5°
HACHB109.5°109.5°
H1C1H1A109.5°109.5°
H2C2H2A109.5°109.4°
H3C3H3A109.5°109.5°
H4C4H4A109.4°109.4°
H5C5H5A109.4°109.5°
H6C6H6A109.5°109.4°
H7C7H7A109.5°109.5°
H10C10H10A109.5°109.5°
H11C11H11A109.5°109.5°
H12C12H12A109.5°109.5°
H13C13H13A109.5°109.5°
H14C14H14A109.5°109.5°
H16C16H16A109.5°109.5°
H18C18H18A109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2H1120.6°120.0°
CC1C2H1A120.6°120.0°
CC1C2C3177.1°180.0°
C1CHHA120.0°119.9°
C1CHHB120.0°120.0°
C1CHAHB120.0°120.0°
CC1H1H1A118.2°120.1°
CC1C2H262.1°60.0°
CC1C2H2A56.3°60.0°
OC15O1C14178.9°180.0°
OC15O1C168.6°0.1°
OC15C14C1355.7°0.0°
OC15C14H1464.8°120.0°
OC15C14H14A176.1°120.0°
C1C2C3H2120.8°120.0°
C1C2C3H2A120.8°120.0°
C1C2C3C4175.0°180.0°
C2C1CH180.0°60.0°
C2C1CHA60.0°180.0°
C2C1CHB60.0°60.0°
C2C1H1H1A118.2°120.0°
C1C2H2H2A117.6°120.0°
C1C2C3H354.3°60.0°
C1C2C3H3A64.3°60.0°
O1C15C14C13123.2°180.0°
C15O1C16C17161.7°180.0°
O1C15C14H14116.3°60.1°
O1C15C14H14A2.7°60.0°
C15O1C16H1678.9°60.1°
C15O1C16H16A42.4°60.0°
O1C16C17O231.1°65.0°
C16O1C15C14170.3°180.0°
O1C16C17H16119.4°120.0°
O1C16C17H16A119.4°120.0°
O1C16C17C18153.9°175.0°
O1C16H16H16A121.8°120.0°
O1C16C17H1787.2°55.0°
C2C3C4H3120.7°120.0°
C2C3C4H3A120.7°120.0°
C2C3C4C561.2°180.0°
C3C2C1H156.5°60.0°
C3C2C1H1A62.3°60.0°
C3C2H2H2A117.6°119.9°
C2C3H3H3A117.9°120.0°
C2C3C4H4178.2°60.0°
C2C3C4H4A59.5°60.0°
O2C17C18O357.4°65.0°
O2C17C16C18122.9°120.0°
O2C17C16H17118.3°120.0°
O2C17C18H17118.4°120.0°
O2C17C16H1688.3°55.0°
O2C17C16H16A150.5°175.1°
O2C17C18H18177.5°175.1°
O2C17C18H18A62.8°55.0°
C3C4C5H4120.7°120.0°
C3C4C5H4A120.7°120.0°
C3C4C5C6175.5°180.0°
C4C3C2H264.2°60.0°
C4C3C2H2A54.2°60.0°
C4C3H3H3A117.9°120.0°
C3C4H4H4A117.9°120.0°
C3C4C5H554.7°60.0°
C3C4C5H5A63.7°60.0°
O3C18C17C16179.9°175.0°
O3C18C17H18120.2°119.9°
O3C18C17H18A120.1°120.0°
O3C18C17H1761.0°55.0°
O3C18H18H18A119.5°120.0°
C4C5C6H5120.8°120.0°
C4C5C6H5A120.8°120.0°
C4C5C6C7105.6°180.0°
C5C4C3H359.5°60.0°
C5C4C3H3A178.1°60.0°
C5C4H4H4A117.9°119.9°
C4C5H5H5A117.6°120.0°
C4C5C6H615.2°60.0°
C4C5C6H6A133.6°60.0°
C5C6C7H6120.8°120.0°
C5C6C7H6A120.8°120.0°
C5C6C7C868.0°180.0°
C6C5C4H463.9°60.0°
C6C5C4H4A54.8°60.0°
C6C5H5H5A117.6°120.0°
C5C6H6H6A117.4°120.0°
C5C6C7H7171.5°60.0°
C5C6C7H7A52.4°60.0°
C6C7C8H7120.4°120.0°
C6C7C8H7A120.4°120.0°
C6C7C8C9169.9°127.6°
C7C6C5H5133.6°60.0°
C7C6C5H5A15.2°60.0°
C7C6H6H6A117.5°120.0°
C6C7H7H7A118.7°120.0°
C6C7C8H810.1°52.4°
C7C8C9H8180.0°180.0°
C7C8C9C100.2°7.5°
C8C7C6H652.8°60.0°
C8C7C6H6A171.2°60.0°
C8C7H7H7A118.7°120.0°
C7C8C9H9179.8°172.5°
C8C9C10H9180.0°180.0°
C8C9C10C11167.3°126.3°
C9C8C7H749.5°7.6°
C9C8C7H7A69.7°112.4°
C8C9C10H1072.6°113.7°
C8C9C10H10A47.1°6.4°
C9C10C11H10120.2°120.0°
C9C10C11H10A120.2°119.9°
C9C10C11C12120.6°180.0°
C10C9C8H8179.8°172.4°
C9C10H10H10A119.4°120.0°
C9C10C11H11118.7°60.0°
C9C10C11H11A0.1°60.0°
C10C11C12H11120.7°120.0°
C10C11C12H11A120.7°120.0°
C10C11C12C1358.3°180.0°
C11C10C9H912.7°53.7°
C11C10H10H10A119.5°120.0°
C10C11H11H11A117.8°120.1°
C10C11C12H12179.1°60.0°
C10C11C12H12A62.4°60.0°
C11C12C13H12120.7°120.0°
C11C12C13H12A120.7°120.0°
C11C12C13C14168.9°180.0°
C12C11C10H100.4°60.0°
C12C11C10H10A119.2°60.1°
C12C11H11H11A117.8°120.0°
C11C12H12H12A117.7°120.0°
C11C12C13H1370.7°60.0°
C11C12C13H13A48.5°60.0°
C12C13C14H13120.4°120.0°
C12C13C14H13A120.4°120.0°
C12C13C14C15144.9°180.0°
C13C12C11H1162.3°60.0°
C13C12C11H11A179.1°60.0°
C13C12H12H12A117.8°120.0°
C12C13H13H13A118.6°120.1°
C12C13C14H1494.7°60.0°
C12C13C14H14A24.4°60.0°
C13C14C15H14120.5°120.0°
C13C14C15H14A120.5°120.0°
C14C13C12H1248.2°60.0°
C14C13C12H12A70.4°60.0°
C14C13H13H13A118.6°120.0°
C13C14H14H14A118.6°120.0°
C15C14C13H1324.4°60.0°
C15C14C13H13A94.7°60.0°
C15C14H14H14A118.5°120.1°
C16C17C18H17118.9°120.0°
C16C17O2HO2180.0°60.0°
C17C16H16H16A121.8°120.1°
C16C17C18H1859.8°55.1°
C16C17C18H18A59.9°65.0°
C18C17O2HO255.4°60.0°
C17C18O3HO3180.0°180.0°
C18C17C16H1634.6°65.0°
C18C17C16H16A86.7°55.1°
C17C18H18H18A119.5°120.0°
HCHAHB120.0°120.1°
HCC1H159.4°180.0°
HCC1H1A59.4°59.9°
HACC1H160.6°60.0°
HACC1H1A179.4°60.1°
HBCC1H1179.4°59.9°
HBCC1H1A60.6°180.0°
H1C1C2H2177.3°180.0°
H1C1C2H2A64.2°60.0°
H1AC1C2H258.5°60.0°
H1AC1C2H2A176.9°180.0°
H2C2C3H3175.1°180.0°
H2C2C3H3A56.4°60.0°
H2AC2C3H366.5°60.0°
H2AC2C3H3A174.9°180.0°
HO2O2C17H1762.4°180.0°
H3C3C4H461.2°180.0°
H3C3C4H4A179.8°60.0°
H3AC3C4H457.5°60.0°
H3AC3C4H4A61.2°180.0°
HO3O3C18H1859.8°60.1°
HO3O3C18H18A59.8°60.0°
H4C4C5H5175.4°180.0°
H4C4C5H5A56.9°60.0°
H4AC4C5H566.0°60.1°
H4AC4C5H5A175.6°180.0°
H5C5C6H6105.6°180.0°
H5C5C6H6A12.8°60.0°
H5AC5C6H6136.0°60.0°
H5AC5C6H6A105.6°180.0°
H6C6C7H767.6°180.0°
H6C6C7H7A173.2°60.0°
H6AC6C7H750.8°60.1°
H6AC6C7H7A68.4°180.0°
H7C7C8H8130.5°172.4°
H7AC7C8H8110.3°67.6°
H8C8C9H90.2°7.5°
H9C9C10H10107.4°66.4°
H9C9C10H10A132.9°173.6°
H10C10C11H11121.1°179.9°
H10C10C11H11A120.3°60.0°
H10AC10C11H111.5°59.9°
H10AC10C11H11A120.0°180.0°
H11C11C12H1258.4°180.0°
H11C11C12H12A176.9°60.0°
H11AC11C12H1260.2°60.0°
H11AC11C12H12A58.3°180.0°
H12C12C13H13168.6°180.0°
H12C12C13H13A72.2°60.0°
H12AC12C13H1350.1°60.0°
H12AC12C13H13A169.2°180.0°
H13C13C14H14144.9°180.0°
H13C13C14H14A96.0°60.0°
H13AC13C14H1425.8°60.0°
H13AC13C14H14A144.8°180.0°
H16C16C17H17153.4°175.0°
H16AC16C17H1732.2°64.9°
H17C17C18H1859.1°64.9°
H17C17C18H18A178.8°175.0°

222624

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