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35E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02O01sing1.43Å1.41Å
C02C03sing1.53Å1.56Å
C08C03sing1.53Å1.48Å
C08C07sing1.53Å1.49Å
C03C04sing1.53Å1.47Å
C07N06sing1.47Å1.46Å
C04C05sing1.53Å1.49Å
N06C05sing1.47Å1.50Å
N06C09sing1.39Å1.46Å
N10C09doub1.32Å1.34ÅAromatic
N10C11sing1.32Å1.37ÅAromatic
C09C14sing1.40Å1.45ÅAromatic
C11C12doub1.38Å1.42ÅAromatic
C14O15sing1.36Å1.40Å
C14N13doub1.32Å1.36ÅAromatic
O15C16sing1.43Å1.39Å
C12N13sing1.32Å1.36ÅAromatic
C16C17sing1.54Å1.49Å
C16C19sing1.54Å1.47Å
C17N18sing1.48Å1.47Å
C19N18sing1.48Å1.49Å
N18C20sing1.39Å1.44Å
N29C20doub1.32Å1.38ÅAromatic
N29C28sing1.34Å1.40ÅAromatic
C20C21sing1.40Å1.39ÅAromatic
C27C28doub1.40Å1.45ÅAromatic
C27C26sing1.36Å1.39ÅAromatic
C28C23sing1.42Å1.38ÅAromatic
C21C22doub1.36Å1.42ÅAromatic
C26C25doub1.39Å1.42ÅAromatic
C23C22sing1.41Å1.44ÅAromatic
C23C24doub1.40Å1.43ÅAromatic
C25C24sing1.36Å1.41ÅAromatic
O01H1sing0.97Å0.95Å
C02H2sing1.09Å1.10Å
C02H3sing1.09Å1.10Å
C03H4sing1.09Å1.10Å
C04H5sing1.09Å1.10Å
C04H6sing1.09Å1.10Å
C05H7sing1.09Å1.10Å
C05H8sing1.09Å1.10Å
C07H9sing1.09Å1.10Å
C07H10sing1.09Å1.10Å
C08H11sing1.09Å1.10Å
C08H12sing1.09Å1.10Å
C11H13sing1.08Å1.08Å
C12H14sing1.08Å1.08Å
C16H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C21H20sing1.08Å1.08Å
C22H21sing1.08Å1.08Å
C24H22sing1.08Å1.08Å
C25H23sing1.08Å1.08Å
C26H24sing1.08Å1.08Å
C27H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O01C02C03118.6°109.5°
C02O01H1109.5°114.0°
O01C02H2107.2°109.4°
O01C02H3107.1°109.5°
C02C03C08111.0°109.5°
C02C03C04112.3°109.5°
C03C02H2107.1°109.4°
C03C02H3107.2°109.5°
C02C03H4107.4°109.5°
C03C08C07111.9°109.2°
C08C03C04109.1°109.2°
C08C03H4108.3°109.6°
C03C08H11108.9°109.5°
C03C08H12108.9°109.5°
C08C07N06117.2°109.5°
C08C07H9107.5°109.4°
C08C07H10107.5°109.5°
C07C08H11108.9°109.5°
C07C08H12108.8°109.5°
C03C04C05111.3°109.3°
C04C03H4108.6°109.5°
C03C04H5109.0°109.5°
C03C04H6109.0°109.6°
C07N06C05116.0°111.2°
C07N06C09126.6°111.0°
N06C07H9107.5°109.4°
N06C07H10107.5°109.5°
C04C05N06116.7°109.5°
C05C04H5109.0°109.5°
C05C04H6109.0°109.5°
C04C05H7107.6°109.5°
C04C05H8107.6°109.5°
C05N06C09116.4°111.0°
N06C05H7107.7°109.4°
N06C05H8107.6°109.4°
N06C09N10116.9°120.1°
N06C09C14123.2°120.1°
C09N10C11121.4°120.0°
N10C09C14119.8°119.7°
N10C11C12118.6°120.2°
N10C11H13120.7°119.9°
C09C14O15120.8°120.1°
C09C14N13118.6°119.8°
C11C12N13120.5°120.3°
C12C11H13120.7°119.9°
C11C12H14119.8°119.8°
O15C14N13120.6°120.1°
C14O15C16113.1°117.0°
C14N13C12121.1°120.0°
O15C16C17111.3°113.7°
O15C16C19109.0°113.7°
O15C16H15115.8°112.9°
N13C12H14119.8°119.9°
C17C16C1989.4°86.4°
C16C17N1890.5°86.2°
C17C16H15114.0°113.7°
C16C17H16114.0°113.8°
C16C17H17114.0°113.7°
C16C19N1890.8°86.2°
C19C16H15114.4°113.9°
C16C19H18113.9°113.8°
C16C19H19113.9°113.8°
C17N18C1989.3°90.8°
C17N18C20123.5°111.0°
N18C17H16114.0°113.8°
N18C17H17114.0°113.7°
C19N18C20131.6°111.0°
N18C19H18113.9°113.8°
N18C19H19113.9°113.8°
N18C20N29120.8°119.2°
N18C20C21118.6°119.3°
C20N29C28121.0°121.3°
N29C20C21120.6°121.5°
N29C28C27119.8°121.0°
N29C28C23120.5°119.9°
C20C21C22119.4°119.9°
C20C21H20120.3°120.0°
C28C27C26120.2°119.8°
C27C28C23119.7°119.1°
C28C27H25119.9°120.2°
C27C26C25120.0°121.0°
C27C26H24120.0°119.5°
C26C27H25119.9°120.1°
C28C23C22118.9°119.2°
C28C23C24120.3°119.6°
C21C22C23119.6°118.3°
C22C21H20120.3°120.1°
C21C22H21120.2°120.8°
C26C25C24120.0°120.8°
C26C25H23120.0°119.6°
C25C26H24120.0°119.5°
C22C23C24120.8°121.2°
C23C22H21120.2°120.9°
C23C24C25119.9°119.6°
C23C24H22120.1°120.2°
C25C24H22120.1°120.1°
C24C25H23120.0°119.6°
H2C02H3109.5°109.5°
H5C04H6109.5°109.5°
H7C05H8109.5°109.5°
H9C07H10109.5°109.5°
H11C08H12109.5°109.5°
H16C17H17109.5°113.0°
H18C19H19109.4°113.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O01C02C03H2121.3°119.9°
O01C02C03H3121.3°120.1°
O01C02C03C08153.5°65.3°
O01C02C03C0431.1°175.0°
O01C02H2H3115.9°120.0°
O01C02C03H488.2°54.9°
C02C03C08C04124.3°119.9°
C02C03C08H4117.7°120.1°
C02C03C08C07175.7°177.6°
C02C03C04H4118.6°120.0°
C02C03C04C05175.4°177.6°
C03C02O01H1180.0°180.0°
C03C02H2H3115.9°120.0°
C02C03C04H564.4°57.6°
C02C03C04H655.1°62.5°
C02C03C08H1155.3°62.5°
C02C03C08H1264.0°57.6°
C03C08C07H11120.4°119.9°
C03C08C07H12120.4°120.0°
C08C03C04H4117.8°120.1°
C03C08C07N0643.4°59.2°
C08C03C04C0561.1°57.7°
C08C03C02H285.2°54.7°
C08C03C02H332.2°174.6°
C08C03C04H559.2°62.3°
C08C03C04H6178.6°177.6°
C03C08C07H977.7°179.2°
C03C08C07H10164.5°60.8°
C03C08H11H12118.9°120.1°
C07C08C03C0460.0°57.7°
C08C07N06H9121.1°120.0°
C08C07N06H10121.1°120.0°
C08C07N06C0526.9°61.7°
C08C07N06C09164.9°174.1°
C07C08C03H458.0°62.3°
C08C07H9H10116.5°120.0°
C07C08H11H12118.9°120.1°
C03C04C05H5120.3°119.9°
C03C04C05H6120.3°120.0°
C03C04C05N0645.7°59.2°
C04C03C02H2152.4°65.0°
C04C03C02H390.2°54.9°
C03C04H5H6119.2°120.1°
C03C04C05H7166.8°179.2°
C03C04C05H875.3°60.9°
C04C03C08H11179.6°177.6°
C04C03C08H1260.3°62.3°
C07N06C05C0428.1°61.7°
C07N06C05C09169.4°124.1°
C07N06C09N1018.2°123.9°
C07N06C09C14161.3°55.8°
C07N06C05H7149.2°178.3°
C07N06C05H892.9°58.3°
N06C07H9H10116.5°120.0°
N06C07C08H11163.7°179.1°
N06C07C08H1277.0°60.8°
C04C05N06H7121.1°120.0°
C04C05N06H8121.0°120.0°
C04C05N06C09162.5°174.2°
C05C04C03H456.7°62.4°
C05C04H5H6119.1°120.1°
C04C05H7H8116.7°120.0°
C05N06C09N10173.6°0.3°
C05N06C09C146.9°180.0°
N06C05C04H574.6°60.8°
N06C05C04H6166.0°179.2°
N06C05H7H8116.7°119.9°
C05N06C07H994.2°178.3°
C05N06C07H10148.0°58.3°
N06C09N10C14179.5°179.7°
N06C09N10C11179.8°180.0°
N06C09C14O150.2°0.0°
N06C09C14N13179.6°179.7°
C09N06C05H741.4°54.1°
C09N06C05H876.5°65.8°
C09N06C07H974.0°54.1°
C09N06C07H1043.8°65.8°
C09N10C11C120.2°0.0°
N10C09C14O15179.7°179.7°
N10C09C14N130.9°0.6°
C09N10C11H13179.8°180.0°
C11N10C09C140.7°0.3°
N10C11C12H13180.0°180.0°
N10C11C12N130.1°0.0°
N10C11C12H14179.9°180.0°
C09C14O15N13179.4°179.7°
C09C14O15C16149.4°180.0°
C09C14N13C120.7°0.6°
C11C12N13C140.2°0.3°
C11C12N13H14180.0°180.0°
O15C14N13C12179.9°179.7°
C14O15C16C17165.7°150.0°
C14O15C16C1997.2°113.3°
C14O15C16H1533.4°18.5°
N13C14O15C1631.2°0.3°
C14N13C12H14179.8°179.7°
O15C16C17C19110.2°114.4°
O15C16C17H15133.2°131.1°
O15C16C19H15131.4°131.3°
O15C16C17N18110.4°90.7°
O15C16C19N18112.6°90.7°
O15C16C17H166.3°23.7°
O15C16C17H17133.0°155.1°
O15C16C19H18130.7°155.0°
O15C16C19H194.1°23.7°
N13C12C11H13179.9°180.0°
C17C16C19H15116.2°114.4°
C16C17N18H16116.7°114.4°
C16C17N18H17116.7°114.3°
C17C16C19N180.2°23.7°
C16C17N18C20141.8°137.6°
C16C17H16H17129.0°131.7°
C17C16C19H18116.9°90.6°
C17C16C19H19116.5°138.1°
C16C19N18H18116.8°114.3°
C16C19N18H19116.7°114.3°
C16C19N18C20136.5°137.6°
C19C16C17H16116.5°138.0°
C19C16C17H17116.9°90.6°
C16C19H18H19128.9°131.7°
C17N18C19C20136.7°113.0°
C17N18C20N2923.3°0.3°
C17N18C20C21155.4°180.0°
N18C17C16H15116.4°138.2°
N18C17H16H17129.0°131.7°
C17N18C19H18116.9°89.6°
C17N18C19H19116.6°139.0°
C19N18C20N29147.9°99.7°
C19N18C20C2130.8°80.6°
N18C19C16H15116.0°138.1°
C19N18C17H16116.5°139.0°
C19N18C17H17116.9°89.6°
N18C19H18H19128.8°131.8°
N18C20N29C21178.7°179.7°
N18C20N29C28179.0°179.8°
N18C20C21C22179.1°180.0°
C20N18C17H16101.5°108.1°
C20N18C17H1725.1°23.3°
C20N18C19H1819.7°23.3°
C20N18C19H19106.8°108.1°
N18C20C21H200.9°0.0°
C20N29C28C27179.9°179.7°
C20N29C28C230.1°0.5°
N29C20C21C220.4°0.3°
N29C20C21H20179.6°179.7°
C28N29C20C210.3°0.5°
N29C28C27C23179.8°179.8°
N29C28C27C26179.9°179.7°
N29C28C23C220.0°0.2°
N29C28C23C24180.0°179.8°
N29C28C27H250.1°0.3°
C20C21C22H20180.0°180.0°
C20C21C22C230.2°0.0°
C20C21C22H21179.8°180.0°
C28C27C26H25180.0°180.0°
C28C27C26C250.0°0.1°
C27C28C23C22179.7°180.0°
C27C28C23C240.2°0.0°
C28C27C26H24180.0°180.0°
C26C27C28C230.1°0.1°
C27C26C25H24180.0°180.0°
C27C26C25C240.1°0.1°
C27C26C25H23179.9°180.0°
C28C23C22C210.0°0.0°
C28C23C22C24179.9°180.0°
C28C23C24C250.1°0.0°
C28C23C22H21180.0°180.0°
C28C23C24H22179.8°179.9°
C23C28C27H25179.8°179.9°
C21C22C23H21180.0°180.0°
C21C22C23C24180.0°180.0°
C26C25C24C230.0°0.0°
C26C25C24H23180.0°179.9°
C26C25C24H22180.0°179.9°
C25C26C27H25180.0°179.9°
C22C23C24C25179.8°180.0°
C23C22C21H20179.8°180.0°
C22C23C24H220.2°0.1°
C23C24C25H22180.0°179.9°
C24C23C22H210.1°0.0°
C23C24C25H23180.0°180.0°
C24C25C26H24179.9°180.0°
H1O01C02H258.7°60.0°
H1O01C02H358.7°60.0°
H2C02C03H433.1°174.9°
H3C02C03H4150.5°65.1°
H4C03C04H5177.0°177.7°
H4C03C04H663.5°57.6°
H4C03C08H1162.4°57.6°
H4C03C08H12178.3°177.7°
H5C04C05H746.5°59.2°
H5C04C05H8164.4°179.2°
H6C04C05H772.9°60.8°
H6C04C05H845.0°59.1°
H9C07C08H1142.6°60.9°
H9C07C08H12161.9°59.2°
H10C07C08H1175.1°59.1°
H10C07C08H1244.1°179.2°
H13C11C12H140.1°0.1°
H15C16C17H16127.0°107.4°
H15C16C17H170.3°24.0°
H15C16C19H180.7°23.8°
H15C16C19H19127.3°107.5°
H20C21C22H210.2°0.0°
H22C24C25H230.0°0.0°
H23C25C26H240.1°0.0°
H24C26C27H250.0°0.0°

224931

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