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3Y9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N11C2sing1.37Å1.42Å
N3C2sing1.36Å1.34Å
N3C4sing1.35Å1.34Å
C2N1doub1.31Å1.33Å
O10C4doub1.22Å1.23Å
C4C8sing1.41Å1.38Å
N1C9sing1.34Å1.35Å
C8C9doub1.40Å1.40ÅAromatic
C8C7sing1.46Å1.38ÅAromatic
C9N5sing1.36Å1.35ÅAromatic
C7C6doub1.34Å1.38ÅAromatic
N5C6sing1.37Å1.34ÅAromatic
C6C29sing1.51Å1.51Å
C29C30sing1.53Å1.53Å
C30C31sing1.53Å1.53Å
C31C32sing1.53Å1.53Å
O27C26doub1.21Å1.26Å
C32C33sing1.51Å1.51Å
O28C26sing1.34Å1.26Å
C15C33doub1.38Å1.39ÅAromatic
C15C13sing1.38Å1.39ÅAromatic
C33C16sing1.38Å1.38ÅAromatic
C26C20sing1.51Å1.51Å
C13C12doub1.40Å1.39ÅAromatic
C16C14doub1.38Å1.38ÅAromatic
C14C12sing1.40Å1.39ÅAromatic
C12C17sing1.48Å1.54Å
N19C17sing1.35Å1.43Å
N19C20sing1.47Å1.41Å
C17O18doub1.22Å1.22Å
C20C21sing1.53Å1.51Å
C21C22sing1.53Å1.51Å
O25C23doub1.21Å1.26Å
C22C23sing1.51Å1.51Å
C23O24sing1.34Å1.26Å
C13H1sing1.08Å1.08Å
C15H2sing1.08Å1.08Å
C20H3sing1.09Å1.10Å
C21H4sing1.09Å1.10Å
C21H5sing1.09Å1.10Å
C7H6sing1.08Å1.08Å
C14H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
N3H9sing0.97Å1.00Å
N5H10sing0.97Å1.00Å
N11H11sing0.97Å1.00Å
N11H12sing0.97Å1.00Å
N19H13sing0.97Å1.00Å
C22H14sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
O24H16sing0.97Å0.95Å
O28H17sing0.97Å0.95Å
C29H18sing1.09Å1.10Å
C29H19sing1.09Å1.10Å
C30H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C31H22sing1.09Å1.10Å
C31H23sing1.09Å1.10Å
C32H24sing1.09Å1.10Å
C32H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N11C2N3119.2°118.9°
N11C2N1120.2°118.9°
C2N11H11120.0°120.0°
C2N11H12120.0°120.0°
C2N3C4120.7°120.2°
N3C2N1120.6°122.2°
C2N3H9119.7°119.9°
N3C4O10119.0°120.9°
N3C4C8120.1°118.2°
C4N3H9119.6°119.9°
C2N1C9121.4°121.2°
O10C4C8120.9°120.9°
C4C8C9118.4°119.1°
C4C8C7139.4°134.6°
N1C9C8118.8°119.2°
N1C9N5133.9°133.6°
C9C8C7102.2°106.3°
C8C9N5107.3°107.3°
C8C7C6115.0°106.7°
C8C7H6122.5°126.7°
C9N5C6114.6°110.1°
C9N5H10122.7°125.0°
C7C6N5100.9°109.7°
C7C6C29129.7°125.2°
C6C7H6122.5°126.6°
N5C6C29129.4°125.1°
C6N5H10122.6°124.9°
C6C29C30109.1°109.5°
C6C29H18109.6°109.5°
C6C29H19109.6°109.4°
C29C30C31112.3°109.5°
C30C29H18109.5°109.5°
C30C29H19109.6°109.5°
C29C30H20108.8°109.5°
C29C30H21108.7°109.5°
C30C31C32113.7°109.5°
C31C30H20108.7°109.4°
C31C30H21108.8°109.5°
C30C31H22108.4°109.4°
C30C31H23108.4°109.5°
C31C32C33117.5°109.5°
C32C31H22108.4°109.5°
C32C31H23108.4°109.5°
C31C32H24107.5°109.5°
C31C32H25107.4°109.5°
O27C26O28119.7°120.0°
O27C26C20119.7°120.0°
C32C33C15121.3°119.9°
C32C33C16118.1°119.8°
C33C32H24107.4°109.4°
C33C32H25107.4°109.5°
O28C26C20120.5°120.0°
C26O28H17109.5°117.0°
C33C15C13119.6°120.1°
C15C33C16120.6°120.4°
C33C15H2120.2°119.9°
C15C13C12119.5°119.9°
C15C13H1120.3°120.0°
C13C15H2120.2°120.0°
C33C16C14119.8°120.1°
C33C16H8120.1°120.0°
C26C20N19106.2°109.5°
C26C20C21107.2°109.5°
C26C20H3110.4°109.4°
C13C12C14120.3°119.7°
C13C12C17122.3°120.1°
C12C13H1120.3°120.1°
C16C14C12120.2°119.9°
C16C14H7119.9°120.0°
C14C16H8120.1°119.9°
C14C12C17117.2°120.1°
C12C14H7119.9°120.1°
C12C17N19114.1°120.0°
C12C17O18122.8°120.0°
C17N19C20125.9°120.0°
N19C17O18123.0°120.0°
C17N19H13117.1°120.1°
N19C20C21110.4°109.5°
N19C20H3112.0°109.4°
C20N19H13117.1°119.9°
C20C21C22112.2°109.5°
C21C20H3110.5°109.5°
C20C21H4108.8°109.5°
C20C21H5108.8°109.5°
C21C22C23107.7°109.5°
C22C21H4108.8°109.5°
C22C21H5108.8°109.5°
C21C22H14109.9°109.5°
C21C22H15109.9°109.5°
O25C23C22119.6°120.0°
O25C23O24119.8°120.0°
C22C23O24120.6°120.0°
C23C22H14109.9°109.5°
C23C22H15109.9°109.5°
C23O24H16109.5°117.0°
H4C21H5109.4°109.4°
H11N11H12120.0°120.0°
H14C22H15109.5°109.5°
H18C29H19109.5°109.5°
H20C30H21109.5°109.5°
H22C31H23109.5°109.5°
H24C32H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N11C2N3N1179.2°179.9°
N11C2N3C4179.7°179.9°
N11C2N1C9180.0°179.9°
N11C2N3H90.3°0.0°
C2N11H11H12180.0°180.0°
C2N3C4H9180.0°180.0°
C2N3C4O10179.7°180.0°
C2N3C4C81.2°0.0°
N3C2N1C90.8°0.0°
N3C2N11H11179.2°179.9°
N3C2N11H120.8°0.0°
C4N3C2N11.1°0.0°
N3C4O10C8179.1°180.0°
N3C4C8C91.0°0.1°
N3C4C8C7179.9°180.0°
C2N1C9C80.6°0.1°
C2N1C9N5179.9°180.0°
N1C2N3H9178.9°180.0°
N1C2N11H110.0°0.0°
N1C2N11H12180.0°180.0°
O10C4C8C9179.9°180.0°
O10C4C8C71.0°0.0°
O10C4N3H90.3°0.1°
C4C8C9N10.7°0.1°
C4C8C9C7179.3°180.0°
C4C8C9N5179.7°180.0°
C4C8C7C6178.9°180.0°
C4C8C7H61.1°0.0°
C8C4N3H9178.8°180.0°
N1C9C8N5179.6°179.9°
N1C9C8C7180.0°180.0°
N1C9N5C6179.6°179.9°
N1C9N5H100.4°0.0°
C9C8C7C60.1°0.0°
C8C9N5C60.9°0.0°
C9C8C7H6179.9°180.0°
C8C9N5H10179.1°180.0°
C7C8C9N50.4°0.0°
C8C7C6H6180.0°180.0°
C8C7C6N50.6°0.0°
C8C7C6C29179.3°180.0°
C9N5C6C70.9°0.0°
C9N5C6H10180.0°180.0°
C9N5C6C29179.0°180.0°
C7C6N5C29179.9°179.9°
C7C6C29C30102.2°85.0°
C7C6N5H10179.1°180.0°
C7C6C29H1817.7°155.0°
C7C6C29H19137.9°35.0°
N5C6C29C3077.7°95.1°
N5C6C7H6179.4°180.0°
N5C6C29H18162.4°25.0°
N5C6C29H1942.3°145.0°
C6C29C30H18119.9°120.0°
C6C29C30H19119.9°120.0°
C6C29C30C3163.7°180.0°
C29C6C7H60.7°0.1°
C29C6N5H101.0°0.1°
C6C29H18H19120.2°120.0°
C6C29C30H20175.9°60.0°
C6C29C30H2156.7°60.0°
C29C30C31H20120.4°120.0°
C29C30C31H21120.4°120.0°
C29C30C31C32172.7°180.0°
C30C29H18H19120.2°120.0°
C29C30H20H21118.7°120.0°
C29C30C31H2266.7°60.0°
C29C30C31H2352.1°60.0°
C30C31C32H22120.6°120.0°
C30C31C32H23120.6°120.0°
C30C31C32C3346.4°180.0°
C31C30C29H1856.2°60.0°
C31C30C29H19176.4°60.0°
C31C30H20H21118.7°120.0°
C30C31H22H23118.1°120.0°
C30C31C32H24167.6°60.0°
C30C31C32H2574.7°60.0°
C31C32C33H24121.2°120.0°
C31C32C33H25121.1°120.0°
C31C32C33C1597.8°90.0°
C31C32C33C1680.9°90.0°
C32C31C30H2052.3°60.0°
C32C31C30H2166.9°60.0°
C32C31H22H23118.0°120.0°
C31C32H24H25116.4°120.0°
O27C26O28C20179.1°180.0°
O27C26C20N194.3°0.0°
O27C26C20C21122.4°120.0°
O27C26C20H3117.2°120.0°
O27C26O28H170.0°0.0°
C32C33C15C16178.7°180.0°
C32C33C15C13178.8°180.0°
C32C33C16C14178.7°179.8°
C32C33C15H21.2°0.0°
C32C33C16H81.3°0.2°
C33C32C31H2274.2°60.0°
C33C32C31H23167.0°60.0°
C33C32H24H25116.3°120.0°
O28C26C20N19174.7°180.0°
O28C26C20C2156.7°60.0°
O28C26C20H363.7°60.1°
C33C15C13H2180.0°180.0°
C33C15C13C120.6°0.0°
C15C33C16C140.0°0.2°
C33C15C13H1179.4°179.7°
C15C33C16H8180.0°179.8°
C15C33C32H2423.3°30.0°
C15C33C32H25141.0°150.0°
C13C15C33C160.1°0.0°
C15C13C12H1180.0°179.7°
C15C13C12C141.5°0.3°
C15C13C12C17177.9°179.7°
C33C16C14H8180.0°179.6°
C33C16C14C120.8°0.4°
C16C33C15H2179.9°179.9°
C33C16C14H7179.1°179.9°
C16C33C32H24158.0°150.0°
C16C33C32H2540.3°30.0°
C26C20N19C1798.6°84.9°
C26C20N19C21115.9°120.0°
C26C20N19H3120.6°119.9°
C26C20C21H3120.4°120.0°
C26C20C21C22169.6°175.0°
C26C20C21H469.9°65.0°
C26C20C21H549.2°55.0°
C26C20N19H1381.4°95.0°
C20C26O28H17179.1°180.0°
C13C12C14C161.6°0.5°
C13C12C14C17176.6°180.0°
C13C12C17N19146.9°180.0°
C13C12C17O1830.4°0.1°
C12C13C15H2179.4°180.0°
C13C12C14H7178.4°180.0°
C16C14C12H7180.0°179.5°
C16C14C12C17178.2°179.5°
C14C12C17N1929.6°0.1°
C14C12C17O18153.1°180.0°
C14C12C13H1178.5°179.9°
C12C14C16H8179.2°180.0°
C12C17N19O18177.3°179.9°
C12C17N19C20177.7°180.0°
C17C12C13H12.1°0.0°
C17C12C14H71.8°0.0°
C12C17N19H132.3°0.1°
C17N19C20H13180.0°180.0°
C17N19C20C21145.5°155.0°
C17N19C20H322.0°35.0°
C20N19C17O180.4°0.1°
N19C20C21H3124.4°120.0°
N19C20C21C2275.1°65.0°
N19C20C21H445.3°55.0°
N19C20C21H5164.5°175.0°
O18C17N19H13179.6°180.0°
C20C21C22H4120.4°120.0°
C20C21C22H5120.4°120.0°
C20C21C22C23168.0°180.0°
C20C21H4H5118.8°120.0°
C21C20N19H1334.5°25.0°
C20C21C22H1448.3°60.0°
C20C21C22H1572.2°60.0°
C21C22C23O2516.7°0.0°
C21C22C23H14119.7°120.0°
C21C22C23H15119.7°120.0°
C21C22C23O24163.4°180.0°
C22C21C20H349.3°55.0°
C22C21H4H5118.8°120.0°
C21C22H14H15120.8°120.0°
O25C23C22O24179.9°179.9°
O25C23C22H14136.4°120.0°
O25C23C22H15103.0°120.0°
O25C23O24H160.0°0.0°
C23C22C21H471.5°60.0°
C23C22C21H547.6°60.0°
C23C22H14H15120.8°120.0°
C22C23O24H16179.8°180.0°
O24C23C22H1443.7°60.0°
O24C23C22H1576.8°60.1°
H1C13C15H20.6°0.4°
H3C20C21H4169.7°175.0°
H3C20C21H571.1°65.0°
H3C20N19H13158.0°145.1°
H4C21C22H14168.8°179.9°
H4C21C22H1548.2°60.0°
H5C21C22H1472.1°60.0°
H5C21C22H15167.4°180.0°
H7C14C16H80.9°0.5°
H18C29C30H2064.2°180.0°
H18C29C30H21176.7°60.0°
H19C29C30H2056.0°60.0°
H19C29C30H2163.2°180.0°
H20C30C31H22172.9°180.0°
H20C30C31H2368.3°60.0°
H21C30C31H2253.7°60.0°
H21C30C31H23172.5°180.0°
H22C31C32H2446.9°180.0°
H22C31C32H25164.6°60.0°
H23C31C32H2471.8°60.0°
H23C31C32H2545.9°180.0°

224931

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