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59T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N3C4doub1.33Å1.33ÅAromatic
N3C2sing1.32Å1.33ÅAromatic
C4C5sing1.39Å1.39ÅAromatic
C4C8sing1.48Å1.49Å
C5C6doub1.38Å1.39ÅAromatic
C6C7sing1.39Å1.38ÅAromatic
C7C2doub1.38Å1.38ÅAromatic
C8C13doub1.40Å1.40ÅAromatic
C8C9sing1.40Å1.39ÅAromatic
C10C9doub1.38Å1.38ÅAromatic
C10C11sing1.40Å1.40ÅAromatic
C10CL1sing1.74Å1.73Å
C13C12sing1.38Å1.38ÅAromatic
C15C14sing1.46Å1.46Å
C15O16doub1.22Å1.22Å
C15N17sing1.35Å1.35Å
C20N19doub1.32Å1.32ÅAromatic
C20N21sing1.33Å1.33ÅAromatic
C20N25sing1.38Å1.38Å
C22N21doub1.32Å1.33ÅAromatic
C22C23sing1.40Å1.41ÅAromatic
C24C14doub1.37Å1.36Å
C24C23sing1.41Å1.43Å
C26N25sing1.47Å1.47Å
C28O30sing1.43Å1.43Å
C28O35sing1.43Å1.42Å
C1C2sing1.51Å1.50Å
C11C12doub1.40Å1.40ÅAromatic
C11C14sing1.48Å1.49Å
N17C18sing1.37Å1.37Å
N17C27sing1.47Å1.48Å
C18N19sing1.33Å1.34ÅAromatic
C18C23doub1.41Å1.42ÅAromatic
O30C31sing1.43Å1.44Å
C31C32sing1.53Å1.53Å
C32C34sing1.53Å1.53Å
C32N36sing1.47Å1.47Å
C34O35sing1.43Å1.44Å
C27C28sing1.53Å1.54Å
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C13H4sing1.08Å1.08Å
C22H5sing1.08Å1.08Å
C24H6sing1.08Å1.08Å
C26H7sing1.09Å1.10Å
C26H8sing1.09Å1.10Å
C26H9sing1.09Å1.10Å
C28H10sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C9H14sing1.08Å1.08Å
C12H15sing1.08Å1.08Å
N25H16sing0.97Å1.00Å
C27H17sing1.09Å1.10Å
C27H18sing1.09Å1.10Å
C31H19sing1.09Å1.10Å
C31H20sing1.09Å1.10Å
C32H21sing1.09Å1.10Å
C34H22sing1.09Å1.10Å
C34H23sing1.09Å1.10Å
N36H24sing1.01Å1.00Å
N36H25sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4N3C2121.6°121.6°
N3C4C5119.9°120.6°
N3C4C8118.8°119.7°
N3C2C7121.6°120.9°
N3C2C1120.0°119.5°
C5C4C8121.3°119.7°
C4C5C6119.3°119.0°
C4C5H1120.3°120.5°
C4C8C13121.2°120.0°
C4C8C9119.1°120.0°
C5C6C7119.0°118.5°
C6C5H1120.3°120.5°
C5C6H2120.5°120.7°
C6C7C2118.5°119.4°
C7C6H2120.5°120.7°
C6C7H3120.7°120.3°
C7C2C1118.3°119.6°
C2C7H3120.7°120.4°
C13C8C9119.7°120.1°
C8C13C12119.6°120.0°
C8C13H4120.2°120.0°
C8C9C10120.7°120.0°
C8C9H14119.6°120.0°
C9C10C11120.0°120.0°
C9C10CL1118.5°120.0°
C10C9H14119.7°120.0°
C11C10CL1121.5°120.0°
C10C11C12119.2°120.0°
C10C11C14122.3°120.0°
C13C12C11120.8°120.0°
C12C13H4120.2°120.0°
C13C12H15119.6°120.0°
C14C15O16118.3°119.9°
C14C15N17121.9°120.3°
C15C14C24118.8°119.4°
C15C14C11117.1°120.3°
O16C15N17119.8°119.8°
C15N17C18119.8°120.7°
C15N17C27120.1°119.7°
N19C20N21122.2°122.4°
N19C20N25118.6°118.8°
C20N19C18120.7°120.5°
N21C20N25119.2°118.8°
C20N21C22121.0°121.1°
C20N25C26119.1°120.0°
C20N25H16107.0°120.0°
N21C22C23119.4°118.6°
N21C22H5120.3°120.7°
C22C23C24121.7°121.2°
C22C23C18117.6°118.6°
C23C22H5120.3°120.7°
C14C24C23118.7°118.9°
C24C14C11124.1°120.3°
C14C24H6120.7°120.5°
C24C23C18120.6°120.3°
C23C24H6120.7°120.5°
N25C26H7109.5°109.5°
N25C26H8109.5°109.5°
N25C26H9109.4°109.5°
C26N25H16107.0°120.0°
O30C28O35108.2°109.5°
C28O30C31114.4°113.7°
O30C28C27112.1°109.4°
O30C28H10108.9°109.4°
C28O35C34113.7°113.8°
O35C28C27111.3°109.5°
O35C28H10108.9°109.5°
C2C1H11109.5°109.4°
C2C1H12109.5°109.5°
C2C1H13109.5°109.5°
C12C11C14118.4°120.0°
C11C12H15119.6°120.0°
C18N17C27120.0°119.7°
N17C18N19121.0°120.9°
N17C18C23120.0°120.4°
N17C27C28110.3°109.4°
N17C27H17109.3°109.5°
N17C27H18109.3°109.5°
N19C18C23118.9°118.7°
O30C31C32111.0°109.0°
O30C31H19109.1°109.6°
O30C31H20109.1°109.6°
C31C32C34108.7°108.8°
C31C32N36110.1°109.6°
C32C31H19109.1°109.5°
C32C31H20109.1°109.6°
C31C32H21109.6°109.6°
C34C32N36108.5°109.6°
C32C34O35110.2°109.0°
C34C32H21109.6°109.5°
C32C34H22109.3°109.6°
C32C34H23109.3°109.6°
N36C32H21110.4°109.7°
C32N36H24109.5°111.0°
C32N36H25109.5°111.0°
O35C34H22109.3°109.5°
O35C34H23109.3°109.6°
C27C28H10107.4°109.4°
C28C27H17109.3°109.5°
C28C27H18109.3°109.4°
H7C26H8109.4°109.5°
H7C26H9109.5°109.5°
H8C26H9109.5°109.5°
H11C1H12109.5°109.5°
H11C1H13109.5°109.6°
H12C1H13109.4°109.5°
H17C27H18109.5°109.5°
H19C31H20109.4°109.6°
H22C34H23109.5°109.6°
H24N36H25109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3C4C5C8179.2°179.9°
N3C4C5C60.3°0.1°
C4N3C2C70.5°0.1°
N3C4C8C13137.0°0.0°
N3C4C8C941.6°179.8°
C4N3C2C1180.0°179.9°
N3C4C5H1179.7°179.9°
C2N3C4C50.1°0.1°
C2N3C4C8179.3°180.0°
N3C2C7C60.7°0.0°
N3C2C7C1179.6°180.0°
N3C2C7H3179.3°179.9°
N3C2C1H110.0°90.0°
N3C2C1H12120.0°150.0°
N3C2C1H13120.0°30.0°
C4C5C6H1180.0°179.9°
C4C5C6C70.0°0.1°
C5C4C8C1342.2°179.9°
C5C4C8C9139.1°0.3°
C4C5C6H2180.0°180.0°
C8C4C5C6179.5°180.0°
C4C8C13C9178.6°179.8°
C4C8C9C10179.4°180.0°
C4C8C13C12179.2°180.0°
C8C4C5H10.5°0.0°
C4C8C13H40.8°0.0°
C4C8C9H140.6°0.0°
C5C6C7H2180.0°179.9°
C5C6C7C20.5°0.0°
C5C6C7H3179.5°179.9°
C6C7C2H3180.0°180.0°
C6C7C2C1179.7°180.0°
C7C6C5H1180.0°180.0°
C2C7C6H2179.6°179.9°
C7C2C1H11179.6°90.0°
C7C2C1H1260.4°30.0°
C7C2C1H1359.6°150.0°
C13C8C9C100.7°0.2°
C8C13C12H4180.0°179.9°
C8C13C12C110.2°0.0°
C13C8C9H14179.3°179.8°
C8C13C12H15179.8°180.0°
C8C9C10H14180.0°180.0°
C8C9C10C110.2°0.0°
C8C9C10CL1179.7°180.0°
C9C8C13C120.5°0.2°
C9C8C13H4179.5°179.7°
C9C10C11CL1179.8°180.0°
C9C10C11C120.6°0.2°
C9C10C11C14178.5°180.0°
C10C11C12C130.8°0.2°
C10C11C14C1571.2°105.0°
C10C11C14C24111.0°75.1°
C10C11C12C14178.0°179.8°
C11C10C9H14179.8°180.0°
C10C11C12H15179.2°179.8°
CL1C10C11C12179.6°179.8°
CL1C10C11C141.7°0.0°
CL1C10C9H140.4°0.0°
C13C12C11H15180.0°180.0°
C13C12C11C14178.8°180.0°
C14C15O16N17178.8°179.7°
C15C14C24C11177.7°180.0°
C15C14C24C231.3°0.5°
C15C14C11C12106.7°75.2°
C14C15N17C182.5°0.0°
C14C15N17C27179.6°180.0°
C15C14C24H6178.7°180.0°
O16C15C14C24177.8°180.0°
O16C15C14C114.4°0.0°
O16C15N17C18178.8°179.7°
O16C15N17C270.9°0.3°
N17C15C14C243.5°0.3°
N17C15C14C11174.4°179.7°
C15N17C18C27177.8°179.9°
C15N17C18N19178.7°180.0°
C15N17C18C230.5°0.0°
C15N17C27C2869.5°90.0°
C15N17C27H1750.6°30.0°
C15N17C27H18170.4°150.0°
N19C20N21N25179.9°179.9°
N19C20N21C220.1°0.3°
N19C20N25C269.5°180.0°
C20N19C18N17179.8°179.9°
C20N19C18C231.6°0.0°
N19C20N25H16111.9°0.1°
C20N21C22C230.1°0.5°
N21C20N25C26170.6°0.1°
N21C20N19C181.0°0.0°
C20N21C22H5179.9°180.0°
N21C20N25H1668.0°180.0°
N25C20N21C22180.0°179.6°
C20N25C26H16121.4°179.9°
N25C20N19C18179.1°179.9°
C20N25C26H7180.0°60.0°
C20N25C26H860.0°60.1°
C20N25C26H960.0°180.0°
N21C22C23H5180.0°179.5°
N21C22C23C24178.3°180.0°
N21C22C23C180.6°0.5°
C22C23C24C14179.3°180.0°
C22C23C24C18177.6°179.5°
C22C23C18N17179.6°179.8°
C22C23C18N191.4°0.3°
C22C23C24H60.7°0.6°
C14C24C23H6180.0°179.4°
C24C14C11C1271.0°104.7°
C14C24C23C181.6°0.6°
C23C24C14C11176.4°179.4°
C24C23C18N172.7°0.3°
C24C23C18N19179.2°179.7°
C24C23C22H51.7°0.5°
N25C26H7H8120.0°120.0°
N25C26H7H9120.0°120.0°
N25C26H8H9120.0°120.0°
O30C28O35C27123.5°120.0°
O30C28O35H10118.2°120.0°
O30C28C27N17179.5°60.0°
C28O30C31C3255.6°57.9°
O30C28O35C3460.8°58.8°
O30C28C27H10119.5°119.9°
O30C28C27H1760.3°60.0°
O30C28C27H1859.4°180.0°
C28O30C31H1964.7°61.9°
C28O30C31H20175.8°177.8°
O35C28C27N1758.3°60.0°
O35C28O30C3159.1°58.8°
C28O35C34C3259.0°57.9°
O35C28C27H10119.2°120.0°
O35C28C27H17178.4°180.0°
O35C28C27H1861.8°59.9°
C28O35C34H2261.1°62.0°
C28O35C34H23179.1°177.8°
C1C2C7H30.3°0.1°
C2C1H11H12120.0°119.9°
C2C1H11H13120.0°120.0°
C2C1H12H13120.0°120.0°
C11C12C13H4179.8°179.9°
C11C14C24H63.6°0.0°
C14C11C12H151.2°0.0°
N17C18N19C23178.2°179.9°
C18N17C27C28112.7°90.0°
C18N17C27H17127.2°150.0°
C18N17C27H187.4°29.9°
C27N17C18N190.8°0.1°
C27N17C18C23177.3°180.0°
N17C27C28H17120.1°120.0°
N17C27C28H18120.1°120.0°
N17C27C28H1060.9°180.0°
N17C27H17H18119.6°120.0°
C18C23C22H5179.4°180.0°
C18C23C24H6178.4°180.0°
O30C31C32H19120.3°119.8°
O30C31C32H20120.2°119.9°
O30C31C32C3449.5°54.5°
O30C31C32N36168.2°174.3°
C31O30C28C27177.8°178.8°
C31O30C28H1059.1°61.3°
O30C31H19H20119.3°120.3°
O30C31C32H2170.2°65.3°
C31C32C34N36119.7°119.9°
C31C32C34H21119.7°119.8°
C31C32N36H21121.1°120.3°
C31C32C34O3551.0°54.5°
C32C31H19H20119.3°120.2°
C31C32C34H2269.1°65.4°
C31C32C34H23171.1°174.4°
C31C32N36H24180.0°180.0°
C31C32N36H2560.0°56.1°
C34C32N36H21120.1°120.3°
C32C34O35H22120.1°119.9°
C32C34O35H23120.1°119.9°
C34C32C31H1970.7°65.4°
C34C32C31H20169.8°174.4°
C32C34H22H23119.7°120.3°
C34C32N36H2461.2°60.6°
C34C32N36H2558.8°63.3°
N36C32C34O35170.7°174.3°
N36C32C31H1947.9°54.5°
N36C32C31H2071.6°65.8°
N36C32C34H2250.6°54.5°
N36C32C34H2369.2°65.8°
C32N36H24H25120.0°123.9°
C34O35C28C27175.6°178.8°
C34O35C28H1057.3°61.2°
O35C34C32H2168.7°65.3°
O35C34H22H23119.7°120.2°
C28C27H17H18119.6°120.0°
H1C5C6H20.1°0.1°
H2C6C7H30.5°0.1°
H4C13C12H150.2°0.1°
H7C26H8H9120.0°120.0°
H7C26N25H1658.6°120.0°
H8C26N25H16178.6°120.0°
H9C26N25H1661.4°0.0°
H10C28C27H1759.2°60.0°
H10C28C27H18179.0°60.1°
H11C1H12H13120.0°120.1°
H19C31C32H21169.5°174.9°
H20C31C32H2150.0°54.6°
H21C32C34H22171.2°174.8°
H21C32C34H2351.4°54.6°
H21C32N36H2458.9°59.7°
H21C32N36H25178.9°176.4°

222926

PDB entries from 2024-07-24

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