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5Q2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC31sing1.74Å1.73Å
C32C33doub1.38Å1.39ÅAromatic
C32C31sing1.38Å1.39ÅAromatic
C33C28sing1.38Å1.39ÅAromatic
C31C30doub1.38Å1.39ÅAromatic
C28C29doub1.38Å1.39ÅAromatic
C28C27sing1.51Å1.51Å
C30C29sing1.38Å1.38ÅAromatic
C27C26sing1.53Å1.54Å
C26N25sing1.47Å1.48Å
C19C20doub1.35Å1.35Å
C19C18sing1.41Å1.42Å
C20N21sing1.36Å1.35Å
N25C18sing1.37Å1.39Å
C18C17doub1.41Å1.44Å
N21C23sing1.35Å1.36Å
C23C17sing1.42Å1.44Å
C23O24doub1.22Å1.23Å
C17C15sing1.47Å1.49Å
C15O16doub1.22Å1.22Å
C15N14sing1.35Å1.36Å
N14C11sing1.40Å1.41Å
C11C10doub1.39Å1.41ÅAromatic
C11C12sing1.39Å1.39ÅAromatic
C10C9sing1.38Å1.39ÅAromatic
C12C13doub1.38Å1.38ÅAromatic
C9C8doub1.39Å1.41ÅAromatic
C13C8sing1.39Å1.40ÅAromatic
C8N5sing1.40Å1.42Å
N5C6sing1.47Å1.49Å
N5C4sing1.47Å1.49Å
C6C7sing1.53Å1.55Å
C4C3sing1.53Å1.53Å
C7N2sing1.47Å1.48Å
C3N2sing1.47Å1.47Å
N2C1sing1.47Å1.47Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C9H7sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C3H12sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
N14H17sing0.97Å1.00Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
N25H21sing0.97Å1.00Å
C26H22sing1.09Å1.10Å
C26H23sing1.09Å1.10Å
C27H24sing1.09Å1.10Å
C27H25sing1.09Å1.10Å
C29H26sing1.08Å1.08Å
C30H27sing1.08Å1.08Å
C32H28sing1.08Å1.08Å
C33H29sing1.08Å1.08Å
N21H11sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC31C32120.8°120.0°
CLC31C30118.2°120.0°
C33C32C31120.3°120.0°
C32C33C28118.9°120.0°
C33C32H28119.9°120.0°
C32C33H29120.6°120.0°
C32C31C30120.9°120.0°
C31C32H28119.9°120.0°
C33C28C29120.2°120.0°
C33C28C27120.5°120.0°
C28C33H29120.6°120.0°
C31C30C29118.6°120.0°
C31C30H27120.7°120.0°
C29C28C27119.2°120.0°
C28C29C30120.9°120.0°
C28C29H26119.5°120.0°
C28C27C26108.5°109.5°
C28C27H24109.7°109.5°
C28C27H25109.7°109.5°
C30C29H26119.5°120.0°
C29C30H27120.7°120.0°
C27C26N25110.4°109.5°
C27C26H22109.2°109.5°
C27C26H23109.2°109.4°
C26C27H24109.7°109.4°
C26C27H25109.7°109.4°
C26N25C18126.5°120.0°
C26N25H21105.1°120.0°
N25C26H22109.3°109.5°
N25C26H23109.2°109.5°
C20C19C18121.6°120.0°
C19C20N21120.3°121.4°
C20C19H19119.2°120.0°
C19C20H20119.9°119.3°
C19C18N25120.1°120.7°
C19C18C17118.4°118.7°
C18C19H19119.2°120.0°
C20N21C23122.5°121.3°
N21C20H20119.8°119.3°
C20N21H11118.8°119.4°
N25C18C17121.4°120.6°
C18N25H21105.1°120.0°
C18C17C23116.8°118.7°
C18C17C15121.8°120.7°
N21C23C17120.4°119.9°
N21C23O24116.7°120.0°
C23N21H11118.7°119.3°
C17C23O24122.9°120.1°
C23C17C15121.3°120.6°
C17C15O16119.4°120.0°
C17C15N14120.9°120.0°
O16C15N14119.7°120.0°
C15N14C11128.5°120.0°
C15N14H17115.7°119.9°
N14C11C10125.2°120.0°
N14C11C12116.0°120.0°
C11N14H17115.7°120.0°
C10C11C12118.8°120.0°
C11C10C9120.3°120.0°
C11C10H8119.8°120.0°
C11C12C13121.1°120.0°
C11C12H9119.4°120.0°
C10C9C8120.5°120.0°
C10C9H7119.8°120.0°
C9C10H8119.8°120.0°
C12C13C8120.6°120.0°
C13C12H9119.4°120.0°
C12C13H10119.7°120.0°
C9C8C13118.7°120.0°
C9C8N5123.4°120.0°
C8C9H7119.7°120.0°
C13C8N5117.9°120.0°
C8C13H10119.7°120.0°
C8N5C6117.2°111.0°
C8N5C4111.7°111.0°
C6N5C4114.7°110.9°
N5C6C7111.0°109.3°
N5C6H3109.1°109.5°
N5C6H4109.1°109.5°
N5C4C3109.6°109.4°
N5C4H1109.4°109.5°
N5C4H2109.4°109.5°
C6C7N2110.2°109.4°
C7C6H3109.1°109.5°
C7C6H4109.1°109.4°
C6C7H5109.3°109.5°
C6C7H6109.3°109.5°
C4C3N2107.5°109.4°
C3C4H1109.4°109.5°
C3C4H2109.4°109.5°
C4C3H12110.0°109.5°
C4C3H13110.0°109.5°
C7N2C3113.1°110.9°
C7N2C1112.7°111.1°
N2C7H5109.3°109.5°
N2C7H6109.3°109.5°
C3N2C1111.2°111.0°
N2C3H12109.9°109.5°
N2C3H13110.0°109.5°
N2C1H14109.5°109.5°
N2C1H15109.5°109.5°
N2C1H16109.5°109.5°
H1C4H2109.5°109.5°
H3C6H4109.5°109.5°
H5C7H6109.5°109.5°
H12C3H13109.5°109.6°
H14C1H15109.4°109.5°
H14C1H16109.5°109.4°
H15C1H16109.5°109.5°
H22C26H23109.4°109.5°
H24C27H25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC31C32C33178.5°179.8°
CLC31C32C30178.2°179.9°
CLC31C30C29178.6°180.0°
CLC31C30H271.4°0.1°
CLC31C32H281.5°0.3°
C33C32C31H28180.0°179.4°
C32C33C28H29180.0°179.5°
C33C32C31C303.3°0.3°
C32C33C28C290.0°0.6°
C32C33C28C27178.5°179.7°
C31C32C33C283.1°0.6°
C32C31C30C290.4°0.0°
C32C31C30H27179.7°180.0°
C31C32C33H29176.9°180.0°
C33C28C29C27178.5°179.7°
C33C28C29C303.0°0.3°
C33C28C27C2692.0°90.3°
C33C28C27H2427.9°149.7°
C33C28C27H25148.2°29.7°
C33C28C29H26177.0°179.7°
C28C33C32H28176.9°180.0°
C31C30C29C282.8°0.1°
C31C30C29H27180.0°180.0°
C31C30C29H26177.3°180.0°
C30C31C32H28176.7°179.7°
C28C29C30H26180.0°179.9°
C29C28C27C2686.5°90.0°
C29C28C27H24153.6°30.0°
C29C28C27H2533.3°150.0°
C28C29C30H27177.2°180.0°
C29C28C33H29180.0°180.0°
C27C28C29C30175.6°180.0°
C28C27C26H24119.9°120.0°
C28C27C26H25119.8°120.0°
C28C27C26N2568.2°180.0°
C28C27C26H2251.9°60.0°
C28C27C26H23171.6°60.0°
C28C27H24H25120.5°120.1°
C27C28C29H264.4°0.0°
C27C28C33H291.5°0.3°
C27C26N25H22120.1°120.0°
C27C26N25H23120.2°120.0°
C27C26N25C18108.6°180.0°
C27C26N25H21129.2°0.0°
C27C26H22H23119.5°120.0°
C26C27H24H25120.4°119.9°
C26N25C18C1912.6°5.8°
C26N25C18H21122.3°180.0°
C26N25C18C17168.2°174.2°
N25C26H22H23119.6°120.0°
N25C26C27H24171.9°60.0°
N25C26C27H2551.6°60.0°
C20C19C18H19180.0°180.0°
C19C20N21H20180.0°180.0°
C20C19C18N25179.8°180.0°
C20C19C18C170.9°0.0°
C19C20N21C230.6°0.3°
C19C20N21H11179.4°180.0°
C18C19C20N210.2°0.0°
C19C18N25C17179.2°180.0°
C19C18C17C231.6°0.3°
C19C18C17C15178.7°180.0°
C18C19C20H20179.9°180.0°
C19C18N25H21134.9°174.1°
C20N21C23H11180.0°179.7°
C20N21C23C170.2°0.6°
C20N21C23O24179.8°180.0°
N21C20C19H19179.8°180.0°
N25C18C17C23179.2°179.7°
N25C18C17C152.1°0.0°
N25C18C19H190.1°0.0°
C18N25C26H2211.6°60.0°
C18N25C26H23131.2°60.0°
C18C17C23N211.2°0.6°
C18C17C23C15177.1°179.7°
C18C17C23O24179.2°180.0°
C18C17C15O1612.0°21.1°
C18C17C15N14169.9°158.9°
C17C18C19H19179.1°180.0°
C17C18N25H2145.9°5.8°
N21C23C17O24179.6°179.3°
N21C23C17C15178.4°179.7°
C23N21C20H20179.5°179.7°
C23C17C15O16165.0°159.2°
C23C17C15N1413.1°20.8°
C17C23N21H11179.8°179.7°
O24C23C17C152.0°0.4°
O24C23N21H110.2°0.4°
C17C15O16N14178.1°180.0°
C17C15N14C11174.2°175.1°
C17C15N14H175.8°4.9°
O16C15N14C113.9°4.9°
O16C15N14H17176.1°175.1°
C15N14C11H17180.0°180.0°
C15N14C11C1031.0°142.9°
C15N14C11C12146.2°37.4°
N14C11C10C12177.1°179.7°
N14C11C10C9177.4°179.7°
N14C11C12C13178.1°179.7°
N14C11C10H82.6°0.3°
N14C11C12H91.9°0.3°
C11C10C9H8180.0°179.9°
C10C11C12C130.7°0.0°
C11C10C9C80.9°0.0°
C11C10C9H7179.1°180.0°
C10C11C12H9179.2°180.0°
C10C11N14H17149.0°37.1°
C12C11C10C90.3°0.0°
C11C12C13H9180.0°180.0°
C11C12C13C80.0°0.0°
C12C11C10H8179.7°179.9°
C11C12C13H10179.9°179.9°
C12C11N14H1733.8°142.6°
C10C9C8H7180.0°180.0°
C10C9C8C131.6°0.0°
C10C9C8N5178.1°180.0°
C12C13C8C91.1°0.0°
C12C13C8H10180.0°179.9°
C12C13C8N5177.9°180.0°
C9C8C13N5176.7°180.0°
C9C8N5C637.1°180.0°
C9C8N5C498.2°56.2°
C8C9C10H8179.1°179.9°
C9C8C13H10178.9°179.9°
C13C8N5C6146.4°0.1°
C13C8N5C478.3°123.9°
C13C8C9H7178.4°180.0°
C8C13C12H9180.0°180.0°
C8N5C6C4134.0°123.8°
C8N5C6C7176.0°176.9°
C8N5C4C3168.0°176.8°
C8N5C4H148.0°63.2°
C8N5C4H271.9°56.8°
C8N5C6H363.8°56.9°
C8N5C6H455.7°63.3°
N5C8C9H71.8°0.0°
N5C8C13H102.2°0.1°
N5C6C7H3120.2°120.0°
N5C6C7H4120.2°120.0°
C6N5C4C355.5°59.3°
N5C6C7N248.9°58.4°
C6N5C4H1175.6°60.6°
C6N5C4H264.5°179.3°
N5C6H3H4119.3°120.1°
N5C6C7H5169.0°178.4°
N5C6C7H671.2°61.6°
C4N5C6C750.0°59.3°
N5C4C3H1120.0°120.0°
N5C4C3H2120.0°120.0°
N5C4C3N259.0°58.4°
N5C4H1H2119.9°120.1°
C4N5C6H370.2°179.3°
C4N5C6H4170.3°60.6°
N5C4C3H1260.6°61.5°
N5C4C3H13178.7°178.3°
C6C7N2H5120.1°120.0°
C6C7N2H6120.1°120.0°
C6C7N2C357.7°59.3°
C6C7N2C1175.1°176.8°
C7C6H3H4119.3°120.0°
C6C7H5H6119.6°120.0°
C4C3N2C762.5°59.3°
C4C3N2H12119.7°119.9°
C4C3N2H13119.7°119.9°
C4C3N2C1169.5°176.8°
C3C4H1H2119.9°120.0°
C4C3H12H13121.0°120.1°
C7N2C3C1128.0°123.9°
N2C7C6H371.4°178.4°
N2C7C6H4169.1°61.6°
N2C7H5H6119.6°120.0°
C7N2C3H1257.2°60.7°
C7N2C3H13177.8°179.2°
C7N2C1H14180.0°60.0°
C7N2C1H1560.0°180.0°
C7N2C1H1660.0°59.9°
N2C3C4H1179.1°61.6°
N2C3C4H261.0°178.4°
C3N2C7H5177.8°179.3°
C3N2C7H662.4°60.7°
N2C3H12H13120.9°120.1°
C3N2C1H1451.8°63.8°
C3N2C1H15171.8°56.2°
C3N2C1H1668.2°176.2°
C1N2C7H555.0°56.8°
C1N2C7H664.8°63.2°
C1N2C3H1270.8°63.3°
C1N2C3H1349.8°56.8°
N2C1H14H15120.0°120.1°
N2C1H14H16120.0°120.0°
N2C1H15H16120.0°120.1°
H1C4C3H1259.4°178.5°
H1C4C3H1361.3°58.4°
H2C4C3H12179.3°58.5°
H2C4C3H1358.7°61.7°
H3C6C7H548.7°61.6°
H3C6C7H6168.5°58.4°
H4C6C7H570.8°58.4°
H4C6C7H649.0°178.4°
H7C9C10H80.9°0.1°
H9C12C13H100.1°0.1°
H14C1H15H16120.0°119.9°
H19C19C20H200.2°0.1°
H20C20N21H110.5°0.0°
H21N25C26H22110.7°120.0°
H21N25C26H239.0°120.0°
H22C26C27H2467.9°179.9°
H22C26C27H25171.8°60.0°
H23C26C27H2451.8°60.0°
H23C26C27H2568.5°180.0°
H26C29C30H272.8°0.0°
H28C32C33H293.1°0.5°

246704

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