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Y2I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.51Å
C2C3doub1.40Å1.41ÅAromatic
C3C4sing1.48Å1.50Å
C4N5sing1.35Å1.34Å
N5C6sing1.47Å1.46Å
C6C7sing1.53Å1.52Å
C6C8sing1.51Å1.52Å
C8C9doub1.38Å1.39ÅAromatic
C9C10sing1.39Å1.39ÅAromatic
C10C11sing1.48Å1.48Å
C11C12doub1.36Å1.38ÅAromatic
C12N13sing1.35Å1.34ÅAromatic
N13C14sing1.47Å1.46Å
C14C15sing1.53Å1.49Å
C15C16sing1.53Å1.49Å
N13N17sing1.40Å1.36ÅAromatic
N17C18doub1.31Å1.33ÅAromatic
C10C19doub1.39Å1.39ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
C20C21sing1.48Å1.48Å
C21C22doub1.36Å1.38ÅAromatic
C22N23sing1.35Å1.34ÅAromatic
N23C24sing1.47Å1.46Å
N23N25sing1.40Å1.35ÅAromatic
N25C26doub1.31Å1.32ÅAromatic
C20C27doub1.39Å1.39ÅAromatic
C4O28doub1.22Å1.23Å
C3C29sing1.40Å1.40ÅAromatic
C29C30doub1.38Å1.39ÅAromatic
C30O31sing1.36Å1.37Å
O31C32sing1.43Å1.43Å
C32C33sing1.53Å1.49Å
C33N34sing1.47Å1.49Å
N34C35sing1.47Å1.49Å
N34C36sing1.47Å1.49Å
C30C37sing1.39Å1.38ÅAromatic
C37C38doub1.38Å1.38ÅAromatic
C38C2sing1.38Å1.39ÅAromatic
C27C8sing1.38Å1.39ÅAromatic
C18C11sing1.41Å1.41ÅAromatic
C16C14sing1.53Å1.49Å
C26C21sing1.41Å1.41ÅAromatic
C1H1Bsing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Csing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C7H7Csing1.09Å1.10Å
C7H7Bsing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C24H24Asing1.09Å1.10Å
C24H24Bsing1.09Å1.10Å
C24H24Csing1.09Å1.10Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C35H35Asing1.09Å1.10Å
C35H35Csing1.09Å1.10Å
C35H35Bsing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C36H36Csing1.09Å1.10Å
C36H36Bsing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C15H15Bsing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C16H16Bsing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C29H29sing1.08Å1.08Å
C32H32Bsing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C33H33Bsing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C37H37sing1.08Å1.08Å
C38H38sing1.08Å1.08Å
N5H5sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3122.4°120.0°
C1C2C38119.7°120.0°
C2C1H1B109.5°109.4°
C2C1H1A109.5°109.5°
C2C1H1C109.5°109.5°
C2C3C4120.7°120.1°
C2C3C29120.2°119.7°
C3C2C38117.9°120.0°
C3C4N5116.7°120.0°
C3C4O28121.0°120.0°
C4C3C29119.1°120.1°
C4N5C6121.7°120.0°
N5C4O28122.3°120.0°
C4N5H5119.1°120.0°
N5C6C7109.0°109.5°
N5C6C8111.0°109.4°
N5C6H6108.6°109.5°
C6N5H5119.1°120.0°
C7C6C8112.3°109.5°
C6C7H7A109.5°109.4°
C6C7H7C109.5°109.5°
C6C7H7B109.5°109.4°
C7C6H6107.9°109.5°
C6C8C9120.4°119.9°
C6C8C27121.0°119.9°
C8C6H6107.9°109.5°
C8C9C10121.1°120.1°
C9C8C27118.6°120.2°
C8C9H9119.5°119.9°
C9C10C11120.1°120.1°
C9C10C19119.7°119.9°
C10C9H9119.4°119.9°
C10C11C12127.2°126.2°
C11C10C19120.2°120.1°
C10C11C18128.9°126.2°
C11C12N13107.2°107.6°
C12C11C18103.8°107.6°
C11C12H12126.4°126.2°
C12N13C14126.0°126.0°
C12N13N17112.5°108.2°
N13C12H12126.4°126.1°
N13C14C15122.3°117.5°
C14N13N17121.5°125.9°
N13C14C16121.7°117.5°
N13C14H14114.4°115.6°
C14C15C1660.0°60.0°
C15C14C1660.0°60.0°
C15C14H14113.9°117.5°
C14C15H15B120.0°117.5°
C14C15H15A120.0°117.5°
C15C16C1460.0°60.0°
C16C15H15B120.0°117.5°
C16C15H15A120.0°117.5°
C15C16H16B120.0°117.5°
C15C16H16A120.0°117.5°
N13N17C18104.1°108.5°
N17C18C11112.4°108.1°
N17C18H18123.8°126.0°
C10C19C20119.9°119.8°
C10C19H19120.0°120.1°
C19C20C21120.1°120.0°
C19C20C27119.7°119.9°
C20C19H19120.0°120.1°
C20C21C22127.5°126.3°
C21C20C27120.2°120.1°
C20C21C26128.9°126.2°
C21C22N23107.7°107.6°
C22C21C26103.6°107.5°
C21C22H22126.2°126.2°
C22N23C24127.8°125.9°
C22N23N25112.0°108.2°
N23C22H22126.2°126.2°
C24N23N25120.2°125.9°
N23C24H24A109.5°109.5°
N23C24H24B109.5°109.5°
N23C24H24C109.5°109.4°
N23N25C26104.6°108.5°
N25C26C21112.2°108.1°
N25C26H26123.9°125.9°
C20C27C8121.0°120.2°
C20C27H27119.5°119.9°
C3C29C30120.3°119.8°
C3C29H29119.8°120.1°
C29C30O31118.7°120.0°
C29C30C37120.1°120.0°
C30C29H29119.9°120.1°
C30O31C32117.8°117.0°
O31C30C37121.1°120.0°
O31C32C33106.0°109.5°
O31C32H32B110.3°109.4°
O31C32H32A110.3°109.4°
C32C33N34113.4°109.5°
C33C32H32B110.3°109.5°
C33C32H32A110.3°109.5°
C32C33H33B108.5°109.4°
C32C33H33A108.5°109.5°
C33N34C35111.7°111.0°
C33N34C36111.7°111.0°
N34C33H33B108.5°109.5°
N34C33H33A108.5°109.5°
C35N34C36110.6°111.0°
N34C35H35A109.5°109.5°
N34C35H35C109.5°109.5°
N34C35H35B109.5°109.4°
N34C36H36A109.5°109.4°
N34C36H36C109.5°109.5°
N34C36H36B109.5°109.5°
C30C37C38119.5°120.2°
C30C37H37120.2°119.9°
C37C38C2122.0°120.2°
C38C37H37120.3°119.9°
C37C38H38119.0°119.9°
C2C38H38119.0°119.9°
C8C27H27119.5°119.9°
C11C18H18123.8°125.9°
C16C14H14113.9°117.5°
C14C16H16B120.0°117.5°
C14C16H16A120.0°117.5°
C21C26H26123.9°126.0°
H1BC1H1A109.5°109.5°
H1BC1H1C109.4°109.4°
H1AC1H1C109.4°109.5°
H7AC7H7C109.4°109.5°
H7AC7H7B109.4°109.5°
H7CC7H7B109.5°109.5°
H24AC24H24B109.5°109.5°
H24AC24H24C109.5°109.4°
H24BC24H24C109.5°109.5°
H35AC35H35C109.4°109.5°
H35AC35H35B109.5°109.5°
H35CC35H35B109.5°109.5°
H36AC36H36C109.4°109.4°
H36AC36H36B109.4°109.5°
H36CC36H36B109.5°109.5°
H15BC15H15A109.5°115.5°
H16BC16H16A109.5°115.5°
H32BC32H32A109.5°109.5°
H33BC33H33A109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C38179.8°179.7°
C1C2C3C40.6°0.0°
C1C2C3C29179.8°180.0°
C1C2C38C37179.8°179.7°
C2C1H1BH1A120.0°120.0°
C2C1H1BH1C120.0°120.0°
C2C1H1AH1C120.0°120.0°
C1C2C38H380.2°0.3°
C2C3C4C29179.2°180.0°
C2C3C4N5105.8°173.8°
C2C3C4O2874.3°6.2°
C2C3C29C300.0°0.0°
C3C2C38C370.0°0.6°
C3C2C1H1B90.1°83.1°
C3C2C1H1A149.9°156.9°
C3C2C1H1C29.9°36.8°
C2C3C29H29180.0°179.9°
C3C2C38H38180.0°179.9°
C3C4N5O28179.9°179.9°
C3C4N5C6180.0°180.0°
C4C3C29C30179.2°180.0°
C4C3C2C38179.2°179.7°
C4C3C29H290.8°0.1°
C3C4N5H50.0°0.1°
C4N5C6H5180.0°180.0°
C4N5C6C7162.0°85.0°
C4N5C6C873.8°155.0°
N5C4C3C2975.0°6.2°
C4N5C6H644.7°35.0°
N5C6C7C8123.5°119.9°
N5C6C7H6117.8°120.0°
N5C6C8H6118.9°120.0°
N5C6C8C969.6°140.0°
C6N5C4O280.1°0.0°
N5C6C8C27110.5°39.7°
N5C6C7H7A180.0°180.0°
N5C6C7H7C60.0°60.0°
N5C6C7H7B60.0°60.0°
C7C6C8H6118.8°120.0°
C7C6C8C952.7°100.0°
C7C6C8C27127.2°80.2°
C6C7H7AH7C120.0°120.0°
C6C7H7AH7B120.0°119.9°
C6C7H7CH7B120.0°120.0°
C7C6N5H518.0°95.0°
C6C8C9C27179.9°179.7°
C6C8C9C10179.8°179.7°
C6C8C27C20179.8°179.7°
C8C6C7H7A56.5°60.0°
C8C6C7H7C63.4°60.0°
C8C6C7H7B176.5°180.0°
C6C8C9H90.2°0.3°
C6C8C27H270.2°0.2°
C8C6N5H5106.2°25.0°
C8C9C10H9180.0°180.0°
C8C9C10C11178.5°180.0°
C8C9C10C190.1°0.0°
C9C8C27C200.1°0.0°
C9C8C27H27179.9°180.0°
C9C8C6H6171.5°20.0°
C9C10C11C19178.4°180.0°
C9C10C11C1225.1°180.0°
C9C10C19C200.0°0.0°
C10C9C8C270.1°0.0°
C9C10C11C18153.3°0.2°
C9C10C19H19180.0°180.0°
C10C11C12C18178.7°179.8°
C10C11C12N13178.7°180.0°
C10C11C18N17178.7°180.0°
C11C10C19C20178.4°180.0°
C11C10C9H91.5°0.0°
C10C11C12H121.3°0.0°
C11C10C19H191.6°0.0°
C10C11C18H181.3°0.1°
C11C12N13H12180.0°180.0°
C11C12N13C14179.3°180.0°
C11C12N13N170.0°0.1°
C12C11C18N170.0°0.2°
C12C11C10C19153.3°0.1°
C12C11C18H18180.0°179.7°
C12N13C14N17179.3°179.9°
C12N13C14C15118.6°85.0°
C12N13N17C180.0°0.0°
N13C12C11C180.1°0.2°
C12N13C14C16169.1°16.4°
C12N13C14H1425.7°129.3°
N13C14C15C16110.7°107.5°
N13C14C15H14144.5°145.0°
C14N13N17C18179.3°179.8°
N13C14C16H14143.6°145.0°
C14N13C12H120.7°0.0°
N13C14C15H15B1.2°0.0°
N13C14C15H15A139.8°145.0°
N13C14C16H16B2.2°145.0°
N13C14C16H16A138.9°0.0°
C14C15C16H15B109.5°107.5°
C14C15C16H15A109.5°107.4°
C15C14N13N1760.6°94.9°
C15C14C16H14104.8°107.5°
C14C15H15BH15A144.7°145.6°
C15C14C16H16B109.5°107.5°
C15C14C16H16A109.4°107.5°
C16C15H15BH15A144.7°145.7°
C15C16H16BH16A144.7°145.7°
N13N17C18C110.0°0.1°
N17N13C14C1611.6°163.5°
N17N13C12H12180.0°179.9°
N17N13C14H14155.0°50.9°
N13N17C18H18180.0°179.8°
N17C18C11H18180.0°179.9°
C10C19C20H19180.0°180.0°
C10C19C20C21178.3°180.0°
C10C19C20C270.1°0.0°
C19C10C11C1828.3°179.7°
C19C10C9H9179.9°179.9°
C19C20C21C27178.3°180.0°
C19C20C21C22176.8°0.0°
C19C20C27C80.0°0.0°
C19C20C21C264.3°179.6°
C19C20C27H27180.0°180.0°
C20C21C22C26179.0°179.7°
C20C21C22N23179.0°180.0°
C20C21C26N25179.0°180.0°
C21C20C27C8178.4°180.0°
C21C20C19H191.7°0.0°
C20C21C26H261.0°0.0°
C21C20C27H271.6°0.0°
C20C21C22H221.0°0.0°
C21C22N23H22180.0°179.9°
C21C22N23C24179.7°180.0°
C21C22N23N250.0°0.1°
C22C21C26N250.0°0.3°
C22C21C20C274.8°180.0°
C22C21C26H26180.0°179.8°
C22N23C24N25179.7°179.9°
C22N23N25C260.0°0.1°
N23C22C21C260.0°0.3°
C22N23C24H24A179.6°90.0°
C22N23C24H24B59.6°150.0°
C22N23C24H24C60.4°30.0°
C24N23N25C26179.7°179.8°
N23C24H24AH24B120.0°120.0°
N23C24H24AH24C120.0°119.9°
N23C24H24BH24C120.0°120.0°
C24N23C22H220.3°0.1°
N23N25C26C210.0°0.2°
N25N23C24H24A0.0°90.2°
N25N23C24H24B120.0°29.8°
N25N23C24H24C120.0°149.9°
N23N25C26H26180.0°179.8°
N25N23C22H22180.0°179.8°
N25C26C21H26180.0°179.9°
C20C27C8H27180.0°179.9°
C27C20C21C26174.0°0.4°
C27C20C19H19180.0°180.0°
O28C4C3C29104.9°173.8°
O28C4N5H5179.9°180.0°
C3C29C30H29180.0°179.8°
C3C29C30O31179.6°180.0°
C3C29C30C370.0°0.1°
C29C3C2C380.0°0.3°
C29C30O31C37179.6°180.0°
C29C30O31C32178.9°179.9°
C29C30C37C380.0°0.2°
C29C30C37H37180.0°179.9°
C30O31C32C33170.0°180.0°
O31C30C37C38179.6°179.7°
O31C30C29H290.4°0.1°
C30O31C32H32B50.6°60.0°
C30O31C32H32A70.5°59.9°
O31C30C37H370.5°0.0°
O31C32C33H32B119.5°120.0°
O31C32C33H32A119.5°120.0°
O31C32C33N3460.0°65.0°
C32O31C30C371.5°0.0°
O31C32H32BH32A121.6°119.9°
O31C32C33H33B60.6°174.9°
O31C32C33H33A179.4°55.0°
C32C33N34H33B120.6°120.0°
C32C33N34H33A120.6°120.0°
C32C33N34C35121.4°66.0°
C32C33N34C36114.1°170.0°
C33C32H32BH32A121.6°120.1°
C32C33H33BH33A118.2°120.0°
C33N34C35C36125.1°123.9°
C33N34C35H35A180.0°60.0°
C33N34C35H35C60.0°180.0°
C33N34C35H35B60.0°60.0°
C33N34C36H36A180.0°60.0°
C33N34C36H36C60.0°180.0°
C33N34C36H36B60.0°60.0°
N34C33C32H32B179.5°175.0°
N34C33C32H32A59.4°55.0°
N34C33H33BH33A118.2°120.0°
N34C35H35AH35C120.0°120.0°
N34C35H35AH35B120.0°120.0°
N34C35H35CH35B120.0°120.0°
C35N34C36H36A54.9°176.0°
C35N34C36H36C174.9°56.1°
C35N34C36H36B65.0°64.0°
C35N34C33H33B118.0°53.9°
C35N34C33H33A0.8°173.9°
C36N34C35H35A54.9°64.0°
C36N34C35H35C65.0°56.1°
C36N34C35H35B174.9°176.0°
N34C36H36AH36C120.0°119.9°
N34C36H36AH36B120.0°120.0°
N34C36H36CH36B120.0°120.0°
C36N34C33H33B6.5°70.0°
C36N34C33H33A125.3°50.0°
C30C37C38H37180.0°179.7°
C30C37C38C20.0°0.6°
C37C30C29H29180.0°179.9°
C30C37C38H38180.0°180.0°
C37C38C2H38180.0°179.5°
C38C2C1H1B90.1°97.2°
C38C2C1H1A29.9°22.8°
C38C2C1H1C149.9°142.9°
C2C38C37H37180.0°179.7°
C27C8C9H9179.9°179.9°
C27C8C6H68.4°159.7°
C18C11C12H12180.0°179.8°
C14C16H16BH16A144.8°145.7°
C26C21C22H22180.0°179.7°
H1BC1H1AH1C119.9°120.0°
H7AC7H7CH7B120.0°120.0°
H7AC7C6H662.2°60.0°
H7CC7C6H6177.8°NaN°
H7BC7C6H657.7°60.0°
H24AC24H24BH24C120.0°120.0°
H35AC35H35CH35B120.0°120.0°
H36AC36H36CH36B120.0°120.1°
H6C6N5H5135.3°145.0°
H14C14C15H15B145.7°145.0°
H14C14C15H15A4.7°0.0°
H14C14C16H16B145.7°0.0°
H14C14C16H16A4.6°145.0°
H15BC15C16H16B0.0°145.0°
H15BC15C16H16A141.0°0.0°
H15AC15C16H16B141.1°0.0°
H15AC15C16H16A0.0°145.0°
H32BC32C33H33B58.9°55.0°
H32BC32C33H33A59.9°64.9°
H32AC32C33H33B180.0°65.1°
H32AC32C33H33A61.2°175.0°
H37C37C38H380.0°0.3°

222036

PDB entries from 2024-07-03

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