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QQT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C28sing1.53Å1.51Å
O29C30sing1.43Å1.45Å
O29C28sing1.43Å1.46Å
C30C31sing1.53Å1.46Å
C28C27sing1.53Å1.49Å
CL1C16sing1.74Å1.73Å
C31N25sing1.47Å1.47Å
C31C32sing1.53Å1.52Å
C27N25sing1.47Å1.52Å
C17C16doub1.38Å1.44ÅAromatic
C17C18sing1.38Å1.41ÅAromatic
N25C21sing1.35Å1.32Å
C32C33sing1.53Å1.55Å
C16C15sing1.38Å1.41ÅAromatic
C18C19doub1.38Å1.37ÅAromatic
C21O22doub1.22Å1.24Å
C21C2sing1.48Å1.52Å
C15C14doub1.38Å1.40ÅAromatic
C3C2doub1.39Å1.37ÅAromatic
C3C4sing1.39Å1.37ÅAromatic
C19C14sing1.38Å1.40ÅAromatic
C2C1sing1.40Å1.38ÅAromatic
C33O34sing1.43Å1.45Å
C14C13sing1.51Å1.48Å
C4N11sing1.36Å1.36ÅAromatic
C4C5doub1.40Å1.39ÅAromatic
C1C6doub1.38Å1.37ÅAromatic
N11C10doub1.31Å1.33ÅAromatic
C5C6sing1.39Å1.38ÅAromatic
C5O9sing1.35Å1.33ÅAromatic
C6O7sing1.36Å1.38Å
C10N12sing1.38Å1.32Å
C10O9sing1.34Å1.33ÅAromatic
C13N12sing1.47Å1.41Å
C13C23sing1.53Å1.58Å
O7C8sing1.43Å1.39Å
C23F24sing1.40Å1.39Å
C8H1sing1.09Å1.10Å
C8H2sing1.09Å1.10Å
C8H3sing1.09Å1.10Å
N12H4sing0.97Å1.00Å
C13H5sing1.09Å1.10Å
C15H6sing1.08Å1.08Å
C17H7sing1.08Å1.08Å
C26H8sing1.09Å1.10Å
C26H9sing1.09Å1.10Å
C26H10sing1.09Å1.10Å
C28H11sing1.09Å1.10Å
C18H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
C23H14sing1.09Å1.10Å
C23H15sing1.09Å1.10Å
C3H16sing1.08Å1.08Å
C1H17sing1.08Å1.08Å
C27H18sing1.09Å1.10Å
C27H19sing1.09Å1.10Å
C30H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C31H22sing1.09Å1.10Å
C32H23sing1.09Å1.10Å
C32H24sing1.09Å1.10Å
C33H25sing1.09Å1.10Å
C33H26sing1.09Å1.10Å
O34H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C26C28O29109.7°109.5°
C26C28C27113.4°109.5°
C28C26H8109.5°109.5°
C28C26H9109.4°109.5°
C28C26H10109.5°109.5°
C26C28H11109.0°109.5°
C30O29C28103.5°114.1°
O29C30C31112.9°109.3°
O29C30H20108.6°109.4°
O29C30H21108.6°109.5°
O29C28C27105.9°109.3°
O29C28H11109.6°109.6°
C30C31N25103.4°108.4°
C30C31C32115.9°109.7°
C31C30H20108.6°109.5°
C31C30H21108.6°109.6°
C30C31H22111.1°109.7°
C28C27N25111.6°108.4°
C27C28H11109.2°109.5°
C28C27H18108.9°109.7°
C28C27H19108.9°109.7°
CL1C16C17120.2°120.0°
CL1C16C15122.1°120.0°
N25C31C32104.7°109.7°
C31N25C27116.8°118.0°
C31N25C21117.7°121.0°
N25C31H22111.0°109.7°
C31C32C33109.3°109.4°
C32C31H22110.2°109.7°
C31C32H23109.5°109.4°
C31C32H24109.5°109.5°
C27N25C21125.4°120.9°
N25C27H18108.9°109.7°
N25C27H19108.9°109.6°
C16C17C18121.8°120.0°
C17C16C15117.7°120.0°
C16C17H7119.1°120.0°
C17C18C19119.0°120.0°
C18C17H7119.1°120.0°
C17C18H12120.5°119.9°
N25C21O22123.2°120.0°
N25C21C2118.7°120.0°
C32C33O34116.4°109.4°
C33C32H23109.5°109.5°
C33C32H24109.5°109.5°
C32C33H25107.7°109.5°
C32C33H26107.7°109.5°
C16C15C14118.2°120.0°
C16C15H6120.9°120.0°
C18C19C14119.6°120.0°
C19C18H12120.5°120.0°
C18C19H13120.2°120.0°
O22C21C2118.0°120.0°
C21C2C3121.1°119.9°
C21C2C1118.7°119.9°
C15C14C19123.4°120.0°
C15C14C13118.9°120.0°
C14C15H6120.9°120.0°
C2C3C4119.4°119.7°
C3C2C1120.2°120.1°
C2C3H16120.3°120.2°
C3C4N11134.0°133.5°
C3C4C5119.2°119.9°
C4C3H16120.3°120.1°
C19C14C13117.0°120.0°
C14C19H13120.2°120.0°
C2C1C6122.5°120.2°
C2C1H17118.8°119.9°
O34C33H25107.7°109.5°
O34C33H26107.7°109.4°
C33O34H27109.5°114.0°
C14C13N12114.0°109.5°
C14C13C23106.9°109.5°
C14C13H5110.2°109.5°
N11C4C5106.8°106.6°
C4N11C10105.1°108.7°
C4C5C6122.6°120.1°
C4C5O9109.4°106.4°
C1C6C5116.0°120.0°
C1C6O7127.8°120.0°
C6C1H17118.8°119.9°
N11C10N12126.1°125.0°
N11C10O9113.9°110.1°
C6C5O9128.0°133.5°
C5C6O7116.2°120.0°
C5O9C10104.8°108.2°
C6O7C8113.1°117.0°
N12C10O9119.9°124.9°
C10N12C13117.1°119.9°
C10N12H4107.5°120.0°
N12C13C23105.2°109.4°
C13N12H4107.5°120.0°
N12C13H5111.3°109.5°
C13C23F24118.7°109.5°
C23C13H5108.8°109.4°
C13C23H14107.1°109.5°
C13C23H15107.1°109.5°
O7C8H1109.5°109.5°
O7C8H2109.5°109.4°
O7C8H3109.5°109.5°
F24C23H14107.1°109.5°
F24C23H15107.1°109.5°
H1C8H2109.5°109.5°
H1C8H3109.5°109.5°
H2C8H3109.4°109.5°
H8C26H9109.5°109.4°
H8C26H10109.5°109.5°
H9C26H10109.5°109.5°
H14C23H15109.5°109.4°
H18C27H19109.5°109.7°
H20C30H21109.5°109.5°
H23C32H24109.5°109.5°
H25C33H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C26C28O29C30169.1°177.5°
C26C28O29C27122.7°119.9°
C26C28O29H11119.6°120.1°
C26C28C27H11121.8°120.1°
C26C28C27N25175.5°172.2°
C28C26H8H9120.0°120.0°
C28C26H8H10120.0°120.0°
C28C26H9H10120.0°120.0°
C26C28C27H1864.2°68.0°
C26C28C27H1955.2°52.5°
O29C30C31H20120.5°119.9°
O29C30C31H21120.5°120.0°
C30O29C28C2768.2°62.6°
O29C30C31N2562.7°52.3°
O29C30C31C3251.3°67.4°
C30O29C28H1149.5°57.4°
O29C30H20H21118.4°120.1°
O29C30C31H22178.2°172.1°
C28O29C30C3177.7°62.6°
O29C28C27H11118.0°120.0°
O29C28C27N2555.2°52.3°
O29C28C26H8180.0°179.8°
O29C28C26H960.0°60.2°
O29C28C26H1060.0°59.7°
O29C28C27H18175.5°172.1°
O29C28C27H1965.1°67.4°
C28O29C30H20161.7°177.5°
C28O29C30H2142.8°57.4°
C30C31N25C32121.8°119.8°
C30C31N25H22119.2°119.7°
C30C31C32H22127.3°120.5°
C30C31N25C2745.8°50.5°
C30C31N25C21130.9°129.4°
C30C31C32C33179.0°175.0°
C31C30H20H21118.4°120.2°
C30C31C32H2361.1°65.0°
C30C31C32H2459.0°55.0°
C28C27N25C3146.4°50.5°
C28C27N25H18120.3°119.8°
C28C27N25H19120.3°119.7°
C28C27N25C21130.0°129.4°
C27C28C26H861.9°60.0°
C27C28C26H9178.1°180.0°
C27C28C26H1058.1°60.0°
C28C27H18H19119.0°120.6°
CL1C16C17C15179.7°179.9°
CL1C16C17C18179.0°180.0°
CL1C16C15C14176.0°180.0°
CL1C16C15H64.0°0.4°
CL1C16C17H71.0°0.0°
N25C31C32H22119.5°120.5°
C31N25C27C21176.4°179.9°
N25C31C32C3367.8°66.0°
C31N25C21O222.4°5.6°
C31N25C21C2174.7°174.2°
C31N25C27H18166.7°170.3°
C31N25C27H1973.9°69.2°
N25C31C30H20176.8°172.2°
N25C31C30H2157.8°67.6°
N25C31C32H2352.2°53.9°
N25C31C32H24172.2°174.0°
C32C31N25C2776.1°69.3°
C32C31N25C21107.2°110.9°
C31C32C33H23120.0°119.9°
C31C32C33H24120.0°120.0°
C31C32C33O34152.1°180.0°
C32C31C30H2069.3°52.4°
C32C31C30H21171.8°172.6°
C31C32H23H24120.1°120.0°
C31C32C33H2586.9°60.1°
C31C32C33H2631.1°60.0°
C27N25C21O22174.0°174.2°
C27N25C21C28.9°5.9°
N25C27C28H1162.8°67.7°
N25C27H18H19119.0°120.5°
C27N25C31H22165.0°170.2°
C16C17C18H7180.0°180.0°
C16C17C18C194.9°0.2°
C17C16C15C143.8°0.0°
C17C16C15H6176.3°179.7°
C16C17C18H12175.1°180.0°
C18C17C16C151.3°0.0°
C17C18C19H12180.0°179.8°
C17C18C19C143.4°0.4°
C17C18C19H13176.6°180.0°
N25C21O22C2177.1°179.9°
N25C21C2C3127.2°38.9°
N25C21C2C152.3°141.2°
C21N25C27H189.7°9.6°
C21N25C27H19109.7°110.9°
C21N25C31H2211.7°9.6°
C32C33O34H25121.0°120.0°
C32C33O34H26121.0°120.0°
C33C32C31H2251.7°54.5°
C33C32H23H24120.0°120.1°
C32C33H25H26116.9°120.1°
C32C33O34H27180.0°179.9°
C16C15C14H6180.0°179.7°
C16C15C14C195.5°0.3°
C16C15C14C13176.3°179.7°
C15C16C17H7178.7°179.9°
C18C19C14C151.8°0.5°
C18C19C14H13180.0°179.5°
C18C19C14C13172.8°179.5°
C19C18C17H7175.0°179.7°
O22C21C2C355.6°141.0°
O22C21C2C1124.9°38.9°
C21C2C3C1179.5°179.9°
C21C2C3C4179.7°180.0°
C21C2C1C6176.9°179.8°
C21C2C3H160.3°0.1°
C21C2C1H173.1°0.1°
C15C14C19C13170.9°180.0°
C15C14C13N1242.7°140.0°
C15C14C13C2373.2°100.0°
C15C14C13H5168.7°20.0°
C15C14C19H13178.2°180.0°
C2C3C4H16180.0°179.9°
C2C3C4N11179.0°180.0°
C2C3C4C52.1°0.3°
C3C2C1C63.6°0.1°
C3C2C1H17176.4°180.0°
C4C3C2C10.8°0.1°
C3C4N11C5177.1°179.8°
C3C4N11C10178.1°179.7°
C3C4C5C62.5°0.2°
C3C4C5O9179.3°179.8°
C19C14C13N12145.9°40.0°
C19C14C13C2398.2°80.0°
C19C14C13H519.9°160.0°
C19C14C15H6174.5°179.9°
C14C19C18H12176.6°179.7°
C2C1C6H17180.0°179.9°
C2C1C6C53.2°0.2°
C2C1C6O7174.9°179.8°
C1C2C3H16179.2°179.9°
O34C33C32H2332.1°60.0°
O34C33C32H2488.0°60.0°
O34C33H25H26116.8°120.0°
C14C13N12C1084.1°155.0°
C14C13N12C23116.8°120.0°
C14C13N12H5125.4°120.0°
C14C13C23H5119.0°120.0°
C14C13C23F24174.8°180.0°
C14C13N12H437.0°25.0°
C13C14C15H63.8°0.1°
C13C14C19H137.2°0.0°
C14C13C23H1463.9°60.0°
C14C13C23H1553.5°59.9°
N11C4C5C6179.9°180.0°
N11C4C5O91.6°0.0°
C4N11C10N12176.5°180.0°
C4N11C10O90.0°0.1°
N11C4C3H161.0°0.0°
C4C5C6C10.2°0.0°
C5C4N11C101.0°0.1°
C4C5C6O9177.9°180.0°
C4C5C6O7178.1°180.0°
C4C5O9C101.6°0.0°
C5C4C3H16177.9°179.8°
C1C6C5O7178.3°180.0°
C1C6C5O9177.8°180.0°
C1C6O7C810.4°0.0°
N11C10O9C51.0°0.0°
N11C10N12O9176.4°179.9°
N11C10N12C1318.8°0.0°
N11C10N12H4102.3°180.0°
C6C5O9C10179.7°180.0°
C5C6O7C8167.6°180.0°
C5C6C1H17176.8°180.0°
O9C5C6O74.0°0.0°
C5O9C10N12177.8°180.0°
C6O7C8H1180.0°180.0°
C6O7C8H260.0°60.0°
C6O7C8H360.0°60.0°
O7C6C1H175.2°0.0°
C10N12C13H4121.1°180.0°
C10N12C13C23159.1°85.0°
C10N12C13H541.4°35.0°
O9C10N12C13164.8°180.0°
O9C10N12H474.1°0.1°
N12C13C23H5119.4°120.0°
N12C13C23F2453.2°60.1°
N12C13C23H14174.5°179.9°
N12C13C23H1568.1°60.1°
C13C23F24H14121.3°120.0°
C13C23F24H15121.3°120.1°
C23C13N12H479.8°95.0°
C13C23H14H15115.8°120.0°
O7C8H1H2120.0°119.9°
O7C8H1H3120.0°120.0°
O7C8H2H3120.0°120.0°
F24C23C13H566.2°59.9°
F24C23H14H15115.8°120.0°
H1C8H2H3120.0°120.1°
H4N12C13H5162.5°145.0°
H5C13C23H1455.1°60.1°
H5C13C23H15172.5°180.0°
H7C17C18H125.0°0.1°
H8C26H9H10120.0°120.0°
H8C26C28H1160.0°60.1°
H9C26C28H1160.0°59.9°
H10C26C28H11180.0°179.9°
H11C28C27H1857.6°52.0°
H11C28C27H19176.9°172.6°
H12C18C19H133.4°0.2°
H20C30C31H2257.6°68.1°
H21C30C31H2261.3°52.1°
H22C31C32H23171.6°174.4°
H22C31C32H2468.3°65.5°
H23C32C33H25153.1°180.0°
H23C32C33H2688.9°59.9°
H24C32C33H2533.1°59.9°
H24C32C33H26151.1°180.0°
H25C33O34H2759.0°60.0°
H26C33O34H2759.0°60.1°

223532

PDB entries from 2024-08-07

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