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YJK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub0.00Å1.36ÅAromatic
C1F1sing0.00Å1.36Å
C1C35sing0.00Å1.36ÅAromatic
C2C3sing0.00Å1.39ÅAromatic
C4C5sing0.00Å1.51Å
C4C3doub0.00Å1.39ÅAromatic
C4C34sing0.00Å1.39ÅAromatic
C5C6sing0.00Å1.51Å
C6N1sing0.00Å1.45Å
C9C10sing0.00Å1.43ÅAromatic
C9C8doub0.00Å1.36ÅAromatic
O3C7doub0.00Å1.23Å
C10C11doub0.00Å1.35ÅAromatic
C12C11sing0.00Å1.49Å
C12N2sing0.00Å1.46Å
C13N2sing0.00Å1.36Å
C13N3sing0.00Å1.38Å
C13O1doub0.00Å1.23Å
C14C15sing0.00Å1.51Å
C14N3sing0.00Å1.47Å
C15N4sing0.00Å1.51Å
C16C17sing0.00Å1.53Å
C16N4sing0.00Å1.52Å
C17C18sing0.00Å1.54Å
C18C19sing0.00Å1.51Å
C19C20doub0.00Å1.39ÅAromatic
C19C24sing0.00Å1.39ÅAromatic
C20C21sing0.00Å1.39ÅAromatic
C21C22doub0.00Å1.38ÅAromatic
C23C24doub0.00Å1.39ÅAromatic
C23C22sing0.00Å1.37ÅAromatic
C25C26sing0.00Å1.50Å
C25N4sing0.00Å1.53Å
C26C27doub0.00Å1.39ÅAromatic
C26C31sing0.00Å1.38ÅAromatic
C27C28sing0.00Å1.38ÅAromatic
N1C7sing0.00Å1.34Å
C7C8sing0.00Å1.46Å
C8O2sing0.00Å1.37ÅAromatic
C11O2sing0.00Å1.37ÅAromatic
N3C33sing0.00Å1.46Å
N4C32sing0.00Å1.51Å
C28C29doub0.00Å1.38ÅAromatic
C29CL1sing0.00Å1.72Å
C29C30sing0.00Å1.38ÅAromatic
C30CL2sing0.00Å1.73Å
C30C31doub0.00Å1.38ÅAromatic
C32C33sing0.00Å1.51Å
C34C35doub0.00Å1.39ÅAromatic
C2H1sing0.00Å1.08Å
C5H2sing0.00Å1.10Å
C5H3sing0.00Å1.10Å
C6H4sing0.00Å1.10Å
C6H5sing0.00Å1.10Å
C9H6sing0.00Å1.08Å
C10H7sing0.00Å1.08Å
C12H8sing0.00Å1.10Å
C12H9sing0.00Å1.10Å
C14H10sing0.00Å1.10Å
C14H11sing0.00Å1.10Å
C15H12sing0.00Å1.10Å
C15H13sing0.00Å1.10Å
C16H14sing0.00Å1.10Å
C16H15sing0.00Å1.10Å
C17H16sing0.00Å1.10Å
C17H17sing0.00Å1.10Å
C18H18sing0.00Å1.10Å
C18H19sing0.00Å1.10Å
C20H20sing0.00Å1.08Å
C21H21sing0.00Å1.08Å
C23H22sing0.00Å1.08Å
C24H23sing0.00Å1.08Å
C25H24sing0.00Å1.10Å
C25H25sing0.00Å1.10Å
C27H26sing0.00Å1.08Å
C3H27sing0.00Å1.08Å
N1H28sing0.00Å1.00Å
N2H29sing0.00Å1.00Å
C22H30sing0.00Å1.08Å
C28H31sing0.00Å1.08Å
C31H32sing0.00Å1.08Å
C32H33sing0.00Å1.10Å
C32H34sing0.00Å1.10Å
C33H35sing0.00Å1.10Å
C33H36sing0.00Å1.10Å
C34H37sing0.00Å1.08Å
C35H38sing0.00Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1F1118.7°90.0°
C2C1C35123.0°90.0°
C1C2C3118.1°90.0°
C1C2H1121.0°90.0°
F1C1C35118.3°90.0°
C1C35C34118.3°90.0°
C1C35H38120.9°90.0°
C2C3C4121.4°90.0°
C3C2H1121.0°90.0°
C2C3H27119.3°90.0°
C5C4C3121.2°90.0°
C5C4C34120.7°90.0°
C4C5C6111.6°90.0°
C4C5H2108.9°90.0°
C4C5H3108.9°90.0°
C3C4C34118.0°90.0°
C4C3H27119.3°90.0°
C4C34C35121.2°90.0°
C4C34H37119.4°90.0°
C5C6N1111.4°90.0°
C6C5H2108.9°90.0°
C6C5H3108.9°90.0°
C5C6H4109.0°90.0°
C5C6H5109.0°90.0°
C6N1C7124.6°90.0°
N1C6H4109.0°90.0°
N1C6H5109.0°90.0°
C6N1H28117.7°90.0°
C10C9C8106.4°90.0°
C9C10C11107.1°90.0°
C10C9H6126.8°90.0°
C9C10H7126.5°90.0°
C9C8C7134.3°90.0°
C9C8O2109.9°90.0°
C8C9H6126.8°90.0°
O3C7N1123.1°90.0°
O3C7C8122.1°90.0°
C10C11C12134.6°90.0°
C10C11O2109.5°90.0°
C11C10H7126.4°90.0°
C11C12N2115.5°90.0°
C12C11O2115.8°90.0°
C11C12H8107.9°90.0°
C11C12H9107.9°90.0°
C12N2C13125.3°90.0°
N2C12H8107.9°90.0°
N2C12H9108.0°90.0°
C12N2H29117.3°90.0°
N2C13N3123.9°90.0°
N2C13O1118.2°90.0°
C13N2H29117.4°90.0°
N3C13O1117.9°90.0°
C13N3C14127.7°90.0°
C13N3C33118.5°90.0°
C15C14N3112.6°90.0°
C14C15N4110.5°90.0°
C15C14H10108.7°90.0°
C15C14H11108.7°90.0°
C14C15H12109.2°90.0°
C14C15H13109.2°90.0°
C14N3C33113.7°90.0°
N3C14H10108.7°90.0°
N3C14H11108.7°90.0°
C15N4C16111.9°90.0°
C15N4C25109.9°90.0°
C15N4C32105.7°90.0°
N4C15H12109.2°90.0°
N4C15H13109.2°90.0°
C17C16N4113.5°90.0°
C16C17C18112.7°90.0°
C17C16H14108.5°90.0°
C17C16H15108.5°90.0°
C16C17H16108.6°90.0°
C16C17H17108.7°90.0°
C16N4C25111.3°90.0°
C16N4C32110.1°90.0°
N4C16H14108.4°90.0°
N4C16H15108.5°90.0°
C17C18C19115.3°90.0°
C18C17H16108.7°90.0°
C18C17H17108.7°90.0°
C17C18H18108.0°90.0°
C17C18H19108.0°90.0°
C18C19C20121.1°90.0°
C18C19C24120.7°90.0°
C19C18H18108.0°90.0°
C19C18H19108.0°90.0°
C20C19C24118.2°90.0°
C19C20C21120.6°90.0°
C19C20H20119.7°90.0°
C19C24C23121.0°90.0°
C19C24H23119.5°90.0°
C20C21C22120.4°90.0°
C21C20H20119.7°90.0°
C20C21H21119.8°90.0°
C21C22C23119.6°90.0°
C22C21H21119.8°90.0°
C21C22H30120.2°90.0°
C24C23C22120.2°90.0°
C24C23H22119.9°90.0°
C23C24H23119.5°90.0°
C22C23H22119.9°90.0°
C23C22H30120.2°90.0°
C26C25N4112.6°90.0°
C25C26C27121.3°90.0°
C25C26C31119.5°90.0°
C26C25H24108.7°90.0°
C26C25H25108.7°90.0°
C25N4C32107.7°90.0°
N4C25H24108.7°90.0°
N4C25H25108.7°90.0°
C27C26C31119.2°90.0°
C26C27C28121.0°90.0°
C26C27H26119.5°90.0°
C26C31C30120.0°90.0°
C26C31H32120.0°90.0°
C27C28C29119.2°90.0°
C28C27H26119.5°90.0°
C27C28H31120.4°90.0°
N1C7C8114.7°90.0°
C7N1H28117.7°90.0°
C7C8O2115.7°90.0°
C8O2C11107.1°90.0°
N3C33C32110.7°90.0°
N3C33H35109.2°90.0°
N3C33H36109.2°90.0°
N4C32C33108.8°90.0°
N4C32H33109.7°90.0°
N4C32H34109.6°90.0°
C28C29CL1119.1°90.0°
C28C29C30120.3°90.0°
C29C28H31120.4°90.0°
CL1C29C30120.6°90.0°
C29C30CL2121.3°90.0°
C29C30C31120.3°90.0°
CL2C30C31118.4°90.0°
C30C31H32120.0°90.0°
C33C32H33109.6°90.0°
C33C32H34109.6°90.0°
C32C33H35109.1°90.0°
C32C33H36109.2°90.0°
C35C34H37119.4°90.0°
C34C35H38120.9°90.0°
H2C5H3109.5°90.0°
H4C6H5109.5°90.0°
H8C12H9109.5°90.0°
H10C14H11109.5°90.0°
H12C15H13109.5°90.0°
H14C16H15109.5°90.0°
H16C17H17109.5°90.0°
H18C18H19109.5°90.0°
H24C25H25109.5°90.0°
H33C32H34109.5°90.0°
H35C33H36109.4°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1F1C35178.1°90.0°
C1C2C3H1180.0°90.0°
C1C2C3C40.6°90.0°
C2C1C35C341.3°90.0°
C1C2C3H27179.4°90.0°
C2C1C35H38178.7°90.0°
F1C1C2C3178.6°90.0°
F1C1C35C34179.2°90.0°
F1C1C2H11.3°90.0°
F1C1C35H380.8°90.0°
C35C1C2C30.7°90.0°
C1C35C34C40.5°90.0°
C1C35C34H38180.0°90.0°
C35C1C2H1179.3°90.0°
C1C35C34H37179.5°90.0°
C2C3C4C5179.7°90.0°
C2C3C4H27180.0°90.0°
C2C3C4C341.3°90.0°
C5C4C3C34179.0°90.0°
C4C5C6H2120.3°90.0°
C4C5C6H3120.3°90.0°
C4C5C6N163.8°90.0°
C5C4C34C35179.7°90.0°
C4C5H2H3119.0°90.0°
C4C5C6H456.5°90.0°
C4C5C6H5176.0°90.0°
C5C4C3H270.3°90.0°
C5C4C34H370.3°90.0°
C3C4C5C693.4°90.0°
C3C4C34C350.7°90.0°
C4C3C2H1179.4°90.0°
C3C4C5H2146.3°90.0°
C3C4C5H327.0°90.0°
C3C4C34H37179.3°90.0°
C34C4C5C685.6°90.0°
C4C34C35H37180.0°90.0°
C34C4C5H234.7°90.0°
C34C4C5H3154.0°90.0°
C34C4C3H27178.7°90.0°
C4C34C35H38179.4°90.0°
C5C6N1H4120.3°90.0°
C5C6N1H5120.3°90.0°
C5C6N1C797.7°90.0°
C6C5H2H3119.0°90.0°
C5C6H4H5119.1°90.0°
C5C6N1H2882.3°90.0°
C6N1C7O32.4°90.0°
C6N1C7H28180.0°90.0°
C6N1C7C8177.7°90.0°
N1C6C5H2175.9°90.0°
N1C6C5H356.5°90.0°
N1C6H4H5119.1°90.0°
C10C9C8H6180.0°90.0°
C9C10C11H7180.0°90.0°
C9C10C11C12179.2°90.0°
C10C9C8C7177.1°90.0°
C10C9C8O20.2°90.0°
C9C10C11O21.1°90.0°
C9C8C7O37.2°90.0°
C8C9C10C110.5°90.0°
C9C8C7N1177.4°90.0°
C9C8C7O2176.7°90.0°
C9C8O2C110.8°90.0°
C8C9C10H7179.5°90.0°
O3C7N1C8175.4°90.0°
O3C7C8O2169.6°90.0°
O3C7N1H28177.6°90.0°
C10C11C12O2178.0°90.0°
C10C11C12N235.0°90.0°
C10C11O2C81.2°90.0°
C11C10C9H6179.4°90.0°
C10C11C12H885.8°90.0°
C10C11C12H9156.0°90.0°
C11C12N2H8120.9°90.0°
C11C12N2H9120.9°90.0°
C11C12N2C1392.8°90.0°
C12C11O2C8179.7°90.0°
C12C11C10H70.8°90.0°
C11C12H8H9117.2°90.0°
C11C12N2H2987.1°90.0°
C12N2C13H29180.0°90.0°
C12N2C13N317.4°90.0°
C12N2C13O1164.5°90.0°
N2C12C11O2146.9°90.0°
N2C12H8H9117.3°90.0°
N2C13N3O1178.1°90.0°
N2C13N3C1425.6°90.0°
N2C13N3C33151.8°90.0°
C13N2C12H8146.3°90.0°
C13N2C12H928.0°90.0°
C13N3C14C15133.8°90.0°
C13N3C14C33177.5°90.0°
C13N3C33C32129.9°90.0°
C13N3C14H10105.7°90.0°
C13N3C14H1113.3°90.0°
N3C13N2H29162.6°90.0°
C13N3C33H35110.0°90.0°
C13N3C33H369.7°90.0°
O1C13N3C14152.5°90.0°
O1C13N3C3330.1°90.0°
O1C13N2H2915.5°90.0°
C15C14N3H10120.5°90.0°
C15C14N3H11120.5°90.0°
C14C15N4H12120.2°90.0°
C14C15N4H13120.1°90.0°
C14C15N4C16178.8°90.0°
C14C15N4C2554.6°90.0°
C15C14N3C3348.7°90.0°
C14C15N4C3261.3°90.0°
C15C14H10H11118.6°90.0°
C14C15H12H13119.5°90.0°
N3C14C15N453.8°90.0°
C14N3C33C3252.4°90.0°
N3C14H10H11118.5°90.0°
N3C14C15H1266.4°90.0°
N3C14C15H13173.9°90.0°
C14N3C33H3567.8°90.0°
C14N3C33H36172.6°90.0°
C15N4C16C17114.9°90.0°
C15N4C16C25123.4°90.0°
C15N4C16C32117.2°90.0°
C15N4C25C26111.9°90.0°
C15N4C25C32114.7°90.0°
C15N4C32C3365.2°90.0°
N4C15C14H1066.7°90.0°
N4C15C14H11174.2°90.0°
N4C15H12H13119.5°90.0°
C15N4C16H14124.5°90.0°
C15N4C16H155.7°90.0°
C15N4C25H248.6°90.0°
C15N4C25H25127.7°90.0°
C15N4C32H3354.7°90.0°
C15N4C32H34174.9°90.0°
C17C16N4H14120.6°90.0°
C17C16N4H15120.6°90.0°
C16C17C18H16120.5°90.0°
C16C17C18H17120.5°90.0°
C16C17C18C19172.4°90.0°
C17C16N4C25121.7°90.0°
C17C16N4C322.4°90.0°
C17C16H14H15118.2°90.0°
C16C17H16H17118.5°90.0°
C16C17C18H1866.7°90.0°
C16C17C18H1951.6°90.0°
N4C16C17C184.1°90.0°
C16N4C25C26123.6°90.0°
C16N4C25C32120.8°90.0°
C16N4C32C33173.8°90.0°
C16N4C15H1261.0°90.0°
C16N4C15H1358.7°90.0°
N4C16H14H15118.2°90.0°
N4C16C17H16116.3°90.0°
N4C16C17H17124.6°90.0°
C16N4C25H24115.9°90.0°
C16N4C25H253.1°90.0°
C16N4C32H3366.3°90.0°
C16N4C32H3453.9°90.0°
C17C18C19H18120.8°90.0°
C17C18C19H19120.9°90.0°
C17C18C19C2031.4°90.0°
C17C18C19C24149.2°90.0°
C18C17C16H14116.4°90.0°
C18C17C16H15124.8°90.0°
C18C17H16H17118.5°90.0°
C17C18H18H19117.3°90.0°
C18C19C20C24179.4°90.0°
C18C19C20C21179.6°90.0°
C18C19C24C23179.6°90.0°
C19C18C17H1652.0°90.0°
C19C18C17H1767.1°90.0°
C19C18H18H19117.4°90.0°
C18C19C20H200.4°90.0°
C18C19C24H230.4°90.0°
C19C20C21H20180.0°90.0°
C19C20C21C220.2°90.0°
C20C19C24C230.2°90.0°
C20C19C18H1889.5°90.0°
C20C19C18H19152.2°90.0°
C19C20C21H21179.8°90.0°
C20C19C24H23179.8°90.0°
C24C19C20C210.2°90.0°
C19C24C23H23180.0°90.0°
C19C24C23C220.2°90.0°
C24C19C18H1889.9°90.0°
C24C19C18H1928.4°90.0°
C24C19C20H20179.8°90.0°
C19C24C23H22179.8°90.0°
C20C21C22H21180.0°90.0°
C20C21C22C230.2°90.0°
C20C21C22H30179.8°90.0°
C21C22C23C240.2°90.0°
C21C22C23H30180.0°90.0°
C22C21C20H20179.8°90.0°
C21C22C23H22179.8°90.0°
C24C23C22H22180.0°90.0°
C24C23C22H30179.8°90.0°
C23C22C21H21179.8°90.0°
C22C23C24H23179.8°90.0°
C26C25N4H24120.5°90.0°
C26C25N4H25120.5°90.0°
C25C26C27C31177.0°90.0°
C25C26C27C28178.6°90.0°
C26C25N4C322.8°90.0°
C25C26C31C30178.7°90.0°
C26C25H24H25118.6°90.0°
C25C26C27H261.4°90.0°
C25C26C31H321.4°90.0°
N4C25C26C27100.7°90.0°
N4C25C26C3176.3°90.0°
C25N4C32C3352.3°90.0°
C25N4C15H12174.8°90.0°
C25N4C15H1365.5°90.0°
C25N4C16H141.1°90.0°
C25N4C16H15117.7°90.0°
N4C25H24H25118.6°90.0°
C25N4C32H33172.2°90.0°
C25N4C32H3467.6°90.0°
C26C27C28H26180.0°90.0°
C26C27C28C290.8°90.0°
C27C26C31C301.6°90.0°
C27C26C25H2419.8°90.0°
C27C26C25H25138.8°90.0°
C26C27C28H31179.2°90.0°
C27C26C31H32178.5°90.0°
C31C26C27C281.5°90.0°
C26C31C30C290.9°90.0°
C26C31C30CL2178.9°90.0°
C26C31C30H32180.0°90.0°
C31C26C25H24163.2°90.0°
C31C26C25H2544.1°90.0°
C31C26C27H26178.5°90.0°
C27C28C29H31180.0°90.0°
C27C28C29CL1179.9°90.0°
C27C28C29C300.1°90.0°
N1C7C8O25.9°90.0°
C7N1C6H422.6°90.0°
C7N1C6H5142.0°90.0°
C7C8O2C11178.4°90.0°
C7C8C9H62.9°90.0°
C8C7N1H282.2°90.0°
O2C8C9H6179.8°90.0°
O2C11C10H7178.9°90.0°
O2C11C12H892.2°90.0°
O2C11C12H926.0°90.0°
N3C33C32N461.4°90.0°
N3C33C32H35120.2°90.0°
N3C33C32H36120.2°90.0°
C33N3C14H1071.7°90.0°
C33N3C14H11169.2°90.0°
N3C33C32H3358.5°90.0°
N3C33C32H34178.7°90.0°
N3C33H35H36119.5°90.0°
N4C32C33H33119.9°90.0°
N4C32C33H34119.9°90.0°
C32N4C15H1258.9°90.0°
C32N4C15H13178.6°90.0°
C32N4C16H14118.2°90.0°
C32N4C16H15123.0°90.0°
C32N4C25H24123.3°90.0°
C32N4C25H25117.7°90.0°
N4C32H33H34120.3°90.0°
N4C32C33H3558.8°90.0°
N4C32C33H36178.4°90.0°
C28C29CL1C30179.9°90.0°
C28C29C30CL2179.6°90.0°
C28C29C30C310.1°90.0°
C29C28C27H26179.2°90.0°
CL1C29C30CL20.3°90.0°
CL1C29C30C31180.0°90.0°
CL1C29C28H310.1°90.0°
C29C30CL2C31179.7°90.0°
C30C29C28H31179.9°90.0°
C29C30C31H32179.1°90.0°
CL2C30C31H321.1°90.0°
C33C32H33H34120.3°90.0°
C32C33H35H36119.4°90.0°
H1C2C3H270.6°90.0°
H2C5C6H463.8°90.0°
H2C5C6H555.6°90.0°
H3C5C6H4176.8°90.0°
H3C5C6H563.7°90.0°
H4C6N1H28157.4°90.0°
H5C6N1H2838.0°90.0°
H6C9C10H70.5°90.0°
H8C12N2H2933.7°90.0°
H9C12N2H29152.0°90.0°
H10C14C15H12173.1°90.0°
H10C14C15H1353.4°90.0°
H11C14C15H1254.0°90.0°
H11C14C15H1365.7°90.0°
H14C16C17H16123.1°90.0°
H14C16C17H174.1°90.0°
H15C16C17H164.3°90.0°
H15C16C17H17114.7°90.0°
H16C17C18H18172.9°90.0°
H16C17C18H1968.9°90.0°
H17C17C18H1853.8°90.0°
H17C17C18H19172.1°90.0°
H20C20C21H210.2°90.0°
H21C21C22H300.2°90.0°
H22C23C24H230.2°90.0°
H22C23C22H300.2°90.0°
H26C27C28H310.8°90.0°
H33C32C33H35178.7°90.0°
H33C32C33H3661.7°90.0°
H34C32C33H3561.1°90.0°
H34C32C33H3658.5°90.0°
H37C34C35H380.5°90.0°

222415

PDB entries from 2024-07-10

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