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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13N4doub1.31Å1.32ÅAromatic
C13C14sing1.40Å1.41ÅAromatic
C15C16doub1.36Å1.37ÅAromatic
C15C14sing1.40Å1.42ÅAromatic
N4C12sing1.33Å1.34ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C14C19doub1.42Å1.43ÅAromatic
C12C11doub1.38Å1.39ÅAromatic
C17C18doub1.36Å1.37ÅAromatic
C19C11sing1.41Å1.44ÅAromatic
C19C18sing1.40Å1.42ÅAromatic
C11N3sing1.40Å1.41Å
N3C10sing1.35Å1.35Å
O1C9doub1.22Å1.22Å
CC1sing1.53Å1.53Å
C7C8sing1.53Å1.50Å
C7C6sing1.53Å1.49Å
C3N1sing1.46Å1.45Å
C3C2sing1.51Å1.52Å
C9N1sing1.34Å1.36Å
C9N2sing1.34Å1.37Å
NC2sing1.35Å1.34Å
NC1sing1.47Å1.47Å
C8C6sing1.53Å1.49Å
C10C1sing1.51Å1.57Å
C10O2doub1.21Å1.22Å
N1C4sing1.47Å1.47Å
C2Odoub1.21Å1.23Å
C1C20sing1.51Å1.54Å
C6N2sing1.46Å1.47Å
N2C5sing1.47Å1.47Å
C4C5sing1.54Å1.52Å
C20C25doub1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C25C24sing1.38Å1.39ÅAromatic
C21C22doub1.38Å1.38ÅAromatic
C24CL1sing1.74Å1.73Å
C24C23doub1.38Å1.39ÅAromatic
C22C23sing1.38Å1.38ÅAromatic
C23CLsing1.74Å1.73Å
N3H1sing0.97Å1.00Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C13H11sing1.08Å1.08Å
C15H12sing1.08Å1.08Å
C17H13sing1.08Å1.08Å
C21H14sing1.08Å1.08Å
C22H15sing1.08Å1.08Å
C25H16sing1.08Å1.08Å
CH17sing1.09Å1.10Å
CH18sing1.09Å1.10Å
CH19sing1.09Å1.10Å
C18H20sing1.08Å1.08Å
C16H21sing1.08Å1.08Å
C12H22sing1.08Å1.08Å
NH23sing0.97Å1.00Å
C3H24sing1.09Å1.10Å
C3H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4C13C14124.3°120.1°
C13N4C12117.4°122.9°
N4C13H11117.9°119.9°
C13C14C15122.7°122.0°
C13C14C19117.9°118.8°
C14C13H11117.8°119.9°
C16C15C14120.7°119.5°
C15C16C17120.5°121.1°
C16C15H12119.7°120.2°
C15C16H21119.8°119.5°
C15C14C19119.2°119.3°
C14C15H12119.7°120.2°
N4C12C11125.7°121.6°
N4C12H22117.1°119.1°
C16C17C18120.8°121.0°
C16C17H13119.6°119.5°
C17C16H21119.7°119.4°
C14C19C11118.0°118.2°
C14C19C18117.7°119.6°
C12C11C19116.7°118.4°
C12C11N3118.4°120.8°
C11C12H22117.1°119.2°
C17C18C19121.2°119.5°
C18C17H13119.6°119.5°
C17C18H20119.4°120.3°
C11C19C18123.9°122.2°
C19C11N3122.6°120.8°
C19C18H20119.4°120.2°
C11N3C10134.4°120.0°
C11N3H1112.8°120.0°
N3C10C1116.4°120.0°
N3C10O2122.4°120.0°
C10N3H1112.8°120.0°
O1C9N1125.9°123.0°
O1C9N2126.0°123.0°
CC1N108.4°109.4°
CC1C10112.5°109.5°
CC1C20109.4°109.5°
C1CH17109.5°109.4°
C1CH18109.5°109.5°
C1CH19109.5°109.5°
C8C7C659.8°60.0°
C7C8C659.8°60.0°
C8C7H7120.1°117.5°
C8C7H8120.0°117.5°
C7C8H9120.0°117.5°
C7C8H10120.0°117.5°
C7C6C860.3°60.0°
C7C6N2120.6°117.5°
C7C6H6115.0°117.5°
C6C7H7120.0°117.5°
C6C7H8120.0°117.5°
N1C3C2113.1°109.5°
C3N1C9122.6°125.4°
C3N1C4122.7°125.4°
N1C3H24108.5°109.5°
N1C3H25108.6°109.5°
C3C2N115.3°120.0°
C3C2O120.9°120.0°
C2C3H24108.6°109.5°
C2C3H25108.5°109.4°
N1C9N2108.1°114.0°
C9N1C4110.6°109.2°
C9N2C6123.2°125.4°
C9N2C5106.8°109.1°
C2NC1128.4°120.0°
NC2O123.8°120.0°
C2NH23115.8°120.0°
NC1C10108.4°109.5°
NC1C20110.3°109.5°
C1NH23115.8°120.0°
C8C6N2119.4°117.5°
C8C6H6115.1°117.5°
C6C8H9120.0°117.5°
C6C8H10120.0°117.5°
C1C10O2121.2°120.0°
C10C1C20107.8°109.5°
N1C4C5102.5°103.8°
N1C4H2111.2°110.6°
N1C4H3111.2°110.6°
C1C20C25120.7°120.0°
C1C20C21120.4°120.0°
C6N2C5115.1°125.4°
N2C6H6115.4°115.6°
N2C5C4102.3°103.9°
N2C5H4111.2°110.6°
N2C5H5111.2°110.7°
C5C4H2111.2°110.5°
C5C4H3111.2°110.6°
C4C5H4111.2°110.6°
C4C5H5111.2°110.5°
C25C20C21118.9°120.1°
C20C25C24119.9°120.0°
C20C25H16120.0°120.0°
C20C21C22121.0°120.0°
C20C21H14119.5°120.0°
C25C24CL1118.8°120.0°
C25C24C23120.4°120.0°
C24C25H16120.0°120.0°
C21C22C23119.9°120.0°
C22C21H14119.5°119.9°
C21C22H15120.0°120.1°
CL1C24C23120.9°120.1°
C24C23C22119.9°120.0°
C24C23CL121.3°120.0°
C22C23CL118.8°120.0°
C23C22H15120.0°120.0°
H2C4H3109.4°110.6°
H4C5H5109.5°110.5°
H7C7H8109.4°115.5°
H9C8H10109.5°115.5°
H17CH18109.5°109.5°
H17CH19109.5°109.4°
H18CH19109.5°109.5°
H24C3H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C13C14H11180.0°179.8°
N4C13C14C15171.8°180.0°
N4C13C14C192.5°0.0°
C13N4C12C112.9°0.1°
C13N4C12H22177.1°180.0°
C13C14C15C16173.3°180.0°
C13C14C15C19174.3°180.0°
C14C13N4C120.3°0.0°
C13C14C19C111.6°0.0°
C13C14C19C18174.3°180.0°
C13C14C15H126.7°0.0°
C16C15C14H12180.0°179.9°
C15C16C17H21180.0°180.0°
C16C15C14C190.9°0.0°
C15C16C17C180.1°0.0°
C15C16C17H13179.9°180.0°
C14C15C16C170.8°0.0°
C15C14C19C11173.0°180.0°
C15C14C19C180.3°0.0°
C15C14C13H118.1°0.3°
C14C15C16H21179.2°180.0°
N4C12C11H22180.0°180.0°
N4C12C11C193.7°0.1°
N4C12C11N3159.4°180.0°
C12N4C13H11179.7°179.7°
C16C17C18H13180.0°180.0°
C16C17C18C190.7°0.1°
C17C16C15H12179.2°180.0°
C16C17C18H20179.2°179.9°
C14C19C11C121.2°0.1°
C14C19C18C170.6°0.1°
C14C19C11C18172.2°179.9°
C14C19C11N3161.2°180.0°
C19C14C13H11177.5°179.7°
C19C14C15H12179.0°180.0°
C14C19C18H20179.4°179.9°
C12C11C19N3162.4°180.0°
C12C11C19C18171.0°180.0°
C12C11N3C10119.2°24.8°
C12C11N3H160.8°155.3°
C17C18C19C11171.7°180.0°
C17C18C19H20180.0°179.9°
C18C17C16H21179.9°180.0°
C19C11N3C1042.9°155.2°
C19C11N3H1137.1°24.8°
C11C19C18H208.3°0.1°
C19C11C12H22176.3°180.0°
C18C19C11N326.6°0.0°
C19C18C17H13179.2°179.9°
C11N3C10H1180.0°179.9°
C11N3C10C1155.6°174.4°
C11N3C10O227.5°5.5°
N3C11C12H2220.5°0.0°
N3C10C1C23.4°85.0°
N3C10C1N96.6°35.0°
N3C10C1O2176.9°180.0°
N3C10C1C20144.1°155.0°
O1C9N1C33.7°0.2°
O1C9N1N2177.6°179.5°
O1C9N1C4161.4°180.0°
O1C9N2C675.7°0.5°
O1C9N2C5147.6°180.0°
CC1NC2148.4°60.0°
CC1NC10122.4°120.0°
CC1NC20119.8°120.0°
CC1C10C20120.7°120.0°
CC1C10O2153.5°95.0°
CC1C20C2533.5°60.0°
CC1C20C21146.8°119.7°
C1CH17H18120.0°120.0°
C1CH17H19120.0°120.0°
C1CH18H19120.0°120.1°
CC1NH2331.6°120.0°
C8C7C6H7109.5°107.5°
C8C7C6H8109.4°107.5°
C7C8C6H9109.4°107.5°
C7C8C6H10109.4°107.5°
C8C7C6N2108.6°107.5°
C8C7C6H6105.8°107.5°
C8C7H7H8144.8°145.7°
C7C8H9H10144.8°145.7°
C7C6N2C94.1°59.9°
C7C6N2H6145.5°145.7°
C7C6N2C5137.6°119.5°
C6C7H7H8144.8°145.6°
N1C3C2H24120.5°120.0°
N1C3C2H25120.5°120.0°
C3N1C9C4157.7°179.8°
C3N1C9N2173.9°179.8°
N1C3C2N128.8°180.0°
N1C3C2O52.7°0.0°
C3N1C4C5154.0°180.0°
C3N1C4H287.1°61.4°
C3N1C4H335.2°61.4°
N1C3H24H25118.4°120.0°
C2C3N1C9113.2°89.7°
C3C2NO178.5°180.0°
C3C2NC1155.6°180.0°
C2C3N1C441.8°90.0°
C3C2NH2324.4°0.0°
C2C3H24H25118.3°120.0°
N1C9N2C6106.7°180.0°
N1C9N2C530.0°0.5°
C9N1C4C53.6°0.2°
C9N1C4H2115.3°118.3°
C9N1C4H3122.5°118.8°
C9N1C3H24126.2°30.3°
C9N1C3H257.3°150.3°
C9N2C6C875.0°8.8°
N2C9N1C416.3°0.5°
C9N2C6C5133.5°179.4°
C9N2C5C430.9°0.3°
C9N2C5H488.0°118.3°
C9N2C5H5149.7°118.9°
C9N2C6H6141.4°154.4°
C2NC1H23180.0°180.0°
C2NC1C1026.0°180.0°
C2NC1C2091.8°60.0°
NC2C3H248.3°60.0°
NC2C3H25110.7°60.0°
NC1C10C20119.4°120.0°
NC1C10O286.6°145.0°
C1NC2O22.9°0.0°
NC1C20C25152.6°180.0°
NC1C20C2127.7°0.3°
NC1CH17180.0°180.0°
NC1CH1860.0°60.0°
NC1CH1960.0°60.0°
C8C6N2H6143.6°145.6°
C8C6N2C5151.5°171.8°
C6C8H9H10144.8°145.7°
C10C1C20C2589.2°60.0°
C10C1C20C2190.5°120.3°
C1C10N3H124.4°5.6°
C10C1CH1760.1°60.0°
C10C1CH18179.9°180.0°
C10C1CH1959.9°60.0°
C10C1NH23154.0°0.0°
O2C10C1C2032.8°25.0°
O2C10N3H1152.4°174.4°
N1C4C5N220.2°0.0°
N1C4C5H2118.9°118.6°
N1C4C5H3118.9°118.6°
N1C4H2H3123.3°122.8°
N1C4C5H498.7°118.6°
N1C4C5H5139.0°118.7°
C4N1C3H2478.8°150.0°
C4N1C3H25162.3°30.0°
OC2NH23157.1°180.0°
OC2C3H24173.2°120.0°
OC2C3H2567.9°120.0°
C1C20C25C21179.7°179.7°
C1C20C25C24179.7°179.7°
C1C20C21C22179.4°179.8°
C1C20C21H140.6°0.3°
C1C20C25H160.3°0.2°
C20C1CH1759.7°60.0°
C20C1CH1860.3°60.0°
C20C1CH19179.7°180.0°
C20C1NH2388.2°120.0°
C6N2C5C4109.7°179.8°
C6N2C5H4131.4°61.1°
C6N2C5H59.1°61.6°
N2C6C7H7141.9°0.1°
N2C6C7H80.8°145.0°
N2C6C8H91.1°145.0°
N2C6C8H10140.0°0.0°
N2C5C4H4118.8°118.6°
N2C5C4H5118.8°118.7°
N2C5C4H298.7°118.6°
N2C5C4H3139.1°118.6°
N2C5H4H5123.3°122.9°
C5N2C6H67.9°26.2°
C5C4H2H3123.2°122.8°
C4C5H4H5123.3°122.7°
C20C25C24H16180.0°179.9°
C25C20C21C220.3°0.1°
C20C25C24CL1178.8°180.0°
C20C25C24C230.7°0.1°
C25C20C21H14179.6°180.0°
C21C20C25C240.6°0.0°
C20C21C22H14180.0°179.9°
C20C21C22C231.2°0.1°
C20C21C22H15178.8°179.9°
C21C20C25H16179.4°179.9°
C25C24CL1C23179.5°179.9°
C25C24C23C220.2°0.1°
C25C24C23CL177.5°179.9°
C21C22C23C241.2°0.0°
C21C22C23H15180.0°180.0°
C21C22C23CL176.6°180.0°
CL1C24C23C22179.7°180.0°
CL1C24C23CL2.0°0.0°
CL1C24C25H161.2°0.1°
C24C23C22CL177.7°180.0°
C24C23C22H15178.9°180.0°
C23C24C25H16179.3°180.0°
C23C22C21H14178.7°180.0°
CLC23C22H153.4°0.0°
H2C4C5H4142.4°0.0°
H2C4C5H520.1°122.7°
H3C4C5H420.2°122.8°
H3C4C5H5102.1°0.1°
H6C6C7H73.7°145.0°
H6C6C7H8144.8°0.0°
H6C6C8H9144.8°0.0°
H6C6C8H103.7°145.0°
H7C7C8H9141.1°145.0°
H7C7C8H100.0°0.0°
H8C7C8H90.0°0.1°
H8C7C8H10141.1°145.0°
H12C15C16H210.8°0.0°
H13C17C18H200.8°0.1°
H13C17C16H210.1°0.0°
H14C21C22H151.2°0.0°
H17CH18H19120.0°120.0°

221371

PDB entries from 2024-06-19

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