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P4I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N01C02trip1.14Å1.10Å
C02C03sing1.43Å1.55Å
C04C03doub1.40Å1.39ÅAromatic
C04C05sing1.38Å1.42ÅAromatic
C03C28sing1.40Å1.41ÅAromatic
C05C06doub1.38Å1.42ÅAromatic
C28C07doub1.38Å1.43ÅAromatic
C06C07sing1.38Å1.37ÅAromatic
BR21C20sing1.89Å1.94Å
C07C08sing1.51Å1.58Å
C19C20doub1.38Å1.39ÅAromatic
C19C18sing1.38Å1.40ÅAromatic
C20C22sing1.38Å1.37ÅAromatic
C08N09sing1.47Å1.27Å
C18C17doub1.38Å1.37ÅAromatic
N09C27sing1.47Å1.38Å
N09C10sing1.47Å1.42Å
C22C23doub1.38Å1.40ÅAromatic
O25C24doub1.22Å1.20Å
C27C26sing1.50Å1.53Å
C17C23sing1.38Å1.40ÅAromatic
C17C16sing1.51Å1.55Å
C24C26sing1.41Å1.44Å
C24N15sing1.35Å1.29Å
C26C12doub1.36Å1.33Å
C10C11sing1.53Å1.59Å
C16N15sing1.46Å1.52Å
N15C14sing1.35Å1.33Å
C12C11sing1.51Å1.54Å
C12N13sing1.34Å1.36Å
C14N13doub1.30Å1.32Å
C04H1sing1.08Å1.08Å
C05H2sing1.08Å1.08Å
C06H3sing1.08Å1.08Å
C08H4sing1.09Å1.10Å
C08H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C14H10sing1.08Å1.08Å
C16H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C18H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
C22H15sing1.08Å1.08Å
C23H16sing1.08Å1.08Å
C27H17sing1.09Å1.10Å
C27H18sing1.09Å1.10Å
C28H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N01C02C03179.6°180.0°
C02C03C04119.6°120.2°
C02C03C28120.2°120.2°
C03C04C05120.0°119.9°
C04C03C28120.2°119.7°
C03C04H1120.0°120.0°
C04C05C06119.8°120.2°
C05C04H1120.0°120.1°
C04C05H2120.1°119.9°
C03C28C07119.9°119.9°
C03C28H19120.0°120.1°
C05C06C07120.3°120.3°
C06C05H2120.1°119.9°
C05C06H3119.9°119.9°
C28C07C06119.8°120.2°
C28C07C08120.8°119.9°
C07C28H19120.1°120.1°
C06C07C08119.3°119.9°
C07C06H3119.8°119.9°
BR21C20C19119.7°120.0°
BR21C20C22120.5°120.0°
C07C08N09112.5°109.4°
C07C08H4108.7°109.5°
C07C08H5108.7°109.5°
C20C19C18120.1°120.0°
C19C20C22119.8°120.0°
C20C19H14119.9°120.0°
C19C18C17120.1°120.0°
C19C18H13119.9°120.0°
C18C19H14119.9°120.0°
C20C22C23120.1°119.9°
C20C22H15120.0°120.0°
C08N09C27108.6°111.0°
C08N09C10107.1°111.0°
N09C08H4108.7°109.4°
N09C08H5108.7°109.5°
C18C17C23119.7°120.0°
C18C17C16120.1°119.9°
C17C18H13119.9°120.0°
C27N09C10114.2°110.2°
N09C27C26116.2°110.5°
N09C27H17107.8°109.3°
N09C27H18107.8°109.3°
N09C10C11114.9°108.5°
N09C10H6108.1°109.6°
N09C10H7108.1°109.8°
C22C23C17120.1°120.1°
C23C22H15120.0°120.0°
C22C23H16120.0°120.0°
O25C24C26119.9°120.6°
O25C24N15119.9°120.6°
C27C26C24121.2°118.9°
C27C26C12121.0°122.4°
C26C27H17107.8°109.3°
C26C27H18107.8°109.2°
C23C17C16120.1°120.0°
C17C23H16119.9°119.9°
C17C16N15110.6°109.5°
C17C16H11109.2°109.5°
C17C16H12109.2°109.4°
C26C24N15120.2°118.8°
C24C26C12117.8°118.7°
C24N15C16120.0°120.2°
C24N15C14120.6°119.7°
C26C12C11120.6°121.7°
C26C12N13119.4°119.6°
C10C11C12113.0°110.0°
C11C10H6108.1°109.6°
C11C10H7108.1°109.7°
C10C11H8108.6°109.4°
C10C11H9108.6°109.4°
C16N15C14119.3°120.1°
N15C16H11109.2°109.4°
N15C16H12109.2°109.5°
N15C14N13121.3°121.4°
N15C14H10119.4°119.4°
C11C12N13120.0°118.6°
C12C11H8108.5°109.4°
C12C11H9108.6°109.3°
C12N13C14120.7°121.8°
N13C14H10119.3°119.2°
H4C08H5109.5°109.5°
H6C10H7109.5°109.6°
H8C11H9109.5°109.3°
H11C16H12109.5°109.5°
H17C27H18109.4°109.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N01C02C03C0421.4°83.2°
N01C02C03C28158.6°96.6°
C02C03C04C28180.0°179.8°
C02C03C04C05180.0°180.0°
C02C03C28C07179.6°179.7°
C02C03C04H10.0°0.1°
C02C03C28H190.4°0.0°
C03C04C05H1180.0°179.9°
C03C04C05C060.0°0.1°
C04C03C28C070.4°0.5°
C03C04C05H2179.9°180.0°
C04C03C28H19179.6°179.8°
C05C04C03C280.1°0.2°
C04C05C06H2180.0°179.9°
C04C05C06C070.4°0.1°
C04C05C06H3179.6°179.9°
C03C28C07H19180.0°179.7°
C03C28C07C060.7°0.5°
C03C28C07C08179.8°179.7°
C28C03C04H1180.0°179.7°
C05C06C07C280.7°0.2°
C05C06C07H3180.0°180.0°
C05C06C07C08179.8°180.0°
C06C05C04H1180.0°180.0°
C28C07C06C08179.1°179.7°
C28C07C08N0964.5°89.7°
C28C07C06H3179.3°179.7°
C28C07C08H4175.1°30.2°
C28C07C08H556.0°150.3°
C06C07C08N09116.4°90.0°
C07C06C05H2179.6°180.0°
C06C07C08H44.1°150.1°
C06C07C08H5123.2°30.0°
C06C07C28H19179.3°179.7°
BR21C20C19C22180.0°180.0°
BR21C20C19C18179.9°180.0°
BR21C20C22C23180.0°180.0°
BR21C20C19H140.0°0.1°
BR21C20C22H150.1°0.0°
C07C08N09H4120.4°120.0°
C07C08N09H5120.5°120.0°
C07C08N09C2784.2°66.0°
C07C08N09C10152.0°171.1°
C08C07C06H30.2°0.0°
C07C08H4H5118.6°120.0°
C08C07C28H190.2°0.0°
C20C19C18H14180.0°180.0°
C20C19C18C170.2°0.0°
C19C20C22C230.0°0.1°
C20C19C18H13179.8°179.9°
C19C20C22H15180.0°179.9°
C18C19C20C220.0°0.0°
C19C18C17H13180.0°179.9°
C19C18C17C230.3°0.0°
C19C18C17C16179.9°179.8°
C20C22C23H15180.0°180.0°
C20C22C23C170.1°0.1°
C22C20C19H14180.0°180.0°
C20C22C23H16179.9°179.7°
C08N09C27C10119.4°123.3°
C08N09C27C26168.7°175.3°
C08N09C10C11170.9°166.1°
N09C08H4H5118.6°120.0°
C08N09C10H650.0°46.5°
C08N09C10H768.3°74.0°
C08N09C27H1770.3°55.1°
C08N09C27H1847.7°64.5°
C18C17C23C220.3°0.0°
C18C17C23C16179.5°179.7°
C18C17C16N1540.0°89.7°
C18C17C16H11160.2°30.3°
C18C17C16H1280.2°150.3°
C17C18C19H14179.8°179.9°
C18C17C23H16179.7°179.7°
N09C27C26H17121.0°120.3°
N09C27C26H18121.0°120.2°
N09C27C26C24156.7°162.8°
N09C27C26C1223.9°17.5°
C27N09C10C1150.5°70.5°
C27N09C08H436.3°53.9°
C27N09C08H5155.4°173.9°
C27N09C10H670.3°169.8°
C27N09C10H7171.4°49.3°
N09C27H17H18116.9°119.5°
C10N09C27C2649.3°52.0°
N09C10C11H6120.8°119.7°
N09C10C11H7120.8°120.0°
N09C10C11C1226.4°50.2°
C10N09C08H487.5°68.9°
C10N09C08H531.6°51.1°
N09C10H6H7117.5°120.6°
N09C10C11H8146.9°170.4°
N09C10C11H994.2°69.8°
C10N09C27H17170.3°68.2°
C10N09C27H1871.7°172.2°
C22C23C17H16180.0°179.7°
C22C23C17C16179.8°179.7°
O25C24C26C270.6°0.5°
O25C24C26N15179.5°180.0°
O25C24C26C12180.0°179.8°
O25C24N15C160.5°0.1°
O25C24N15C14179.9°179.9°
C27C26C24C12179.4°179.7°
C27C26C24N15180.0°179.5°
C27C26C12C110.4°0.7°
C27C26C12N13179.7°179.3°
C26C27H17H18117.0°119.4°
C23C17C16N15140.5°90.0°
C23C17C16H1120.3°150.0°
C23C17C16H1299.3°30.0°
C23C17C18H13179.7°179.9°
C17C23C22H15179.8°179.9°
C17C16N15C2493.9°90.0°
C17C16N15H11120.2°120.0°
C17C16N15H12120.2°120.0°
C17C16N15C1486.7°90.0°
C17C16H11H12119.5°120.0°
C16C17C18H130.2°0.3°
C16C17C23H160.2°0.0°
C26C24N15C16179.9°180.0°
C26C24N15C140.7°0.0°
C24C26C12C11179.9°179.6°
C24C26C12N130.3°0.4°
C24C26C27H1735.7°77.0°
C24C26C27H1882.3°42.5°
N15C24C26C120.6°0.3°
C24N15C16C14179.4°180.0°
C24N15C14N130.5°0.2°
C24N15C14H10179.5°179.9°
C24N15C16H11146.0°30.0°
C24N15C16H1226.3°150.0°
C26C12C11C102.0°17.1°
C26C12C11N13179.9°180.0°
C26C12N13C140.1°0.3°
C26C12C11H8122.5°137.3°
C26C12C11H9118.5°103.1°
C12C26C27H17144.9°102.8°
C12C26C27H1897.1°137.7°
C10C11C12H8120.5°120.2°
C10C11C12H9120.5°120.2°
C10C11C12N13178.1°162.9°
C11C10H6H7117.5°120.4°
C10C11H8H9118.4°119.8°
C16N15C14N13179.9°179.8°
C16N15C14H100.1°0.1°
N15C16H11H12119.5°120.0°
N15C14N13C120.2°0.0°
N15C14N13H10180.0°179.9°
C14N15C16H1133.4°150.0°
C14N15C16H12153.1°30.0°
C11C12N13C14180.0°179.7°
C12C11C10H694.4°169.9°
C12C11C10H7147.2°69.7°
C12C11H8H9118.4°119.6°
N13C12C11H857.6°42.7°
N13C12C11H961.4°76.9°
C12N13C14H10179.8°179.9°
H1C04C05H20.0°0.1°
H2C05C06H30.4°0.1°
H6C10C11H826.1°69.9°
H6C10C11H9145.0°49.8°
H7C10C11H892.3°50.4°
H7C10C11H926.6°170.2°
H13C18C19H140.2°0.0°
H15C22C23H160.2°0.2°

225946

PDB entries from 2024-10-09

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