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939

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.33Å1.30ÅAromatic
N1C6doub1.32Å1.41ÅAromatic
C2N3doub1.32Å1.42ÅAromatic
C2N7sing1.38Å1.40Å
N3C4sing1.33Å1.28ÅAromatic
C4C5doub1.40Å1.47ÅAromatic
C4C8sing1.48Å1.49Å
C5C6sing1.38Å1.34ÅAromatic
N7C16sing1.40Å1.44Å
C8N9sing1.37Å1.43ÅAromatic
C8C12doub1.36Å1.33ÅAromatic
N9C10sing1.35Å1.39ÅAromatic
N9C27sing1.46Å1.44Å
C10C11doub1.38Å1.33ÅAromatic
C11C12sing1.42Å1.46ÅAromatic
C11C13sing1.47Å1.47Å
C13N14sing1.35Å1.38Å
C13O15doub1.22Å1.23Å
C16C17sing1.39Å1.34ÅAromatic
C16C21doub1.39Å1.51ÅAromatic
C17C18doub1.38Å1.51ÅAromatic
C17O22sing1.36Å1.45Å
C18C19sing1.38Å1.35ÅAromatic
C19C20doub1.39Å1.49ÅAromatic
C20C21sing1.39Å1.38ÅAromatic
C20N28sing1.40Å1.45Å
O22C23sing1.43Å1.46Å
C23F24sing1.40Å1.37Å
C23F25sing1.40Å1.39Å
C23F26sing1.40Å1.37Å
N28C29sing1.47Å1.48Å
N28C33sing1.47Å1.48Å
C29C30sing1.53Å1.55Å
C30N31sing1.47Å1.50Å
N31C32sing1.47Å1.47Å
N31C34sing1.47Å1.48Å
C32C33sing1.53Å1.56Å
C6H6sing1.08Å1.08Å
N7H7sing0.97Å1.00Å
C5H5sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
N14H141sing0.97Å1.00Å
N14H142sing0.97Å1.00Å
C21H21sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C34H343sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6120.6°121.0°
N1C2N3120.7°121.7°
N1C2N7118.5°119.2°
N1C6C5119.4°119.3°
N1C6H6120.3°120.3°
N3C2N7120.8°119.1°
C2N3C4121.7°120.6°
C2N7C16127.1°120.0°
C2N7H7116.5°120.0°
N3C4C5118.5°118.9°
N3C4C8119.7°120.5°
C5C4C8121.8°120.5°
C4C5C6119.1°118.4°
C4C5H5120.4°120.8°
C4C8N9127.0°125.8°
C4C8C12124.6°125.8°
C5C6H6120.3°120.4°
C6C5H5120.5°120.8°
N7C16C17115.9°120.1°
N7C16C21124.2°120.0°
C16N7H7116.4°120.0°
N9C8C12108.3°108.4°
C8N9C10109.2°109.2°
C8N9C27127.3°125.4°
C8C12C11105.7°107.0°
C8C12H12127.2°126.5°
C10N9C27123.5°125.4°
N9C10C11106.1°108.3°
N9C10H10127.0°125.8°
N9C27H271109.5°109.5°
N9C27H272109.4°109.5°
N9C27H273109.5°109.5°
C10C11C12110.7°107.0°
C10C11C13124.5°126.5°
C11C10H10127.0°125.9°
C12C11C13124.7°126.5°
C11C12H12127.2°126.5°
C11C13N14119.7°120.1°
C11C13O15120.9°119.9°
N14C13O15119.4°120.0°
C13N14H141120.0°120.0°
C13N14H142120.0°120.0°
C17C16C21119.9°119.9°
C16C17C18119.5°120.0°
C16C17O22116.1°120.0°
C16C21C20120.7°119.9°
C16C21H21119.7°120.0°
C18C17O22124.5°120.0°
C17C18C19120.7°120.1°
C17C18H18119.7°120.0°
C17O22C23117.2°117.0°
C18C19C20120.8°120.1°
C19C18H18119.6°119.9°
C18C19H19119.6°120.0°
C19C20C21118.6°120.0°
C19C20N28119.1°120.0°
C20C19H19119.6°119.9°
C21C20N28122.4°120.0°
C20C21H21119.7°120.1°
C20N28C29119.2°111.0°
C20N28C33119.0°111.0°
O22C23F24110.3°109.5°
O22C23F25111.9°109.5°
O22C23F26108.8°109.5°
F24C23F25109.2°109.5°
F24C23F26108.5°109.4°
F25C23F26108.1°109.5°
C29N28C33121.7°110.9°
N28C29C30113.6°109.3°
N28C29H291108.1°109.5°
N28C29H292108.1°109.5°
N28C33C32114.2°109.3°
N28C33H331107.9°109.5°
N28C33H332107.9°109.5°
C29C30N31111.9°109.4°
C30C29H291108.1°109.5°
C30C29H292108.1°109.5°
C29C30H301108.7°109.5°
C29C30H302108.7°109.5°
C30N31C32108.9°110.9°
C30N31C34109.8°111.0°
N31C30H301108.7°109.5°
N31C30H302108.7°109.5°
C32N31C34108.5°111.0°
N31C32C33112.0°109.4°
N31C32H321108.7°109.5°
N31C32H322108.6°109.5°
N31C34H341109.5°109.5°
N31C34H342109.4°109.5°
N31C34H343109.5°109.4°
C32C33H331107.9°109.5°
C32C33H332107.9°109.5°
C33C32H321108.6°109.5°
C33C32H322108.7°109.5°
H271C27H272109.5°109.5°
H271C27H273109.4°109.5°
H272C27H273109.5°109.4°
H141N14H142120.0°120.0°
H291C29H292110.8°109.5°
H331C33H332111.0°109.5°
H301C30H302110.2°109.5°
H321C32H322110.3°109.5°
H341C34H342109.4°109.5°
H341C34H343109.5°109.5°
H342C34H343109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3N7179.5°180.0°
N1C2N3C40.1°0.0°
C2N1C6C50.2°0.0°
N1C2N7C16174.5°5.6°
C2N1C6H6179.7°180.0°
N1C2N7H75.5°174.4°
C6N1C2N30.0°0.0°
C6N1C2N7179.6°180.0°
N1C6C5C40.3°0.0°
N1C6C5H6180.0°180.0°
N1C6C5H5179.7°179.9°
C2N3C4C50.0°0.1°
C2N3C4C8178.7°180.0°
N3C2N7C165.0°174.4°
N3C2N7H7175.0°5.6°
N7C2N3C4179.4°180.0°
C2N7C16H7180.0°180.0°
C2N7C16C17144.9°147.6°
C2N7C16C2135.7°32.1°
N3C4C5C8178.7°180.0°
N3C4C5C60.2°0.1°
N3C4C8N915.6°5.2°
N3C4C8C12162.9°175.1°
N3C4C5H5179.8°180.0°
C4C5C6H5180.0°179.9°
C5C4C8N9165.7°174.7°
C5C4C8C1215.9°4.9°
C4C5C6H6179.7°180.0°
C8C4C5C6178.9°180.0°
C4C8N9C12178.7°179.7°
C4C8N9C10178.7°180.0°
C4C8N9C270.8°0.1°
C4C8C12C11178.6°179.8°
C8C4C5H51.1°0.1°
C4C8C12H121.4°0.0°
N7C16C17C21179.4°179.7°
N7C16C17C18179.6°180.0°
N7C16C17O220.1°0.1°
N7C16C21C20179.5°179.7°
N7C16C21H210.5°0.1°
C8N9C10C27179.6°180.0°
C8N9C10C110.2°0.0°
N9C8C12C110.1°0.5°
N9C8C12H12179.9°179.7°
C8N9C10H10179.9°179.9°
C8N9C27H271180.0°81.8°
C8N9C27H27260.0°158.3°
C8N9C27H27360.0°38.3°
C12C8N9C100.1°0.3°
C12C8N9C27179.5°179.7°
C8C12C11C100.2°0.5°
C8C12C11H12180.0°179.8°
C8C12C11C13179.2°179.8°
N9C10C11H10180.0°179.9°
N9C10C11C120.2°0.3°
N9C10C11C13179.2°180.0°
C10N9C27H2710.5°98.3°
C10N9C27H272120.5°21.7°
C10N9C27H273119.5°141.7°
C27N9C10C11179.4°180.0°
C27N9C10H100.6°0.1°
N9C27H271H272120.0°120.0°
N9C27H271H273120.0°120.0°
N9C27H272H273120.0°120.0°
C10C11C12C13179.4°179.7°
C10C11C13N1430.1°0.0°
C10C11C13O15151.8°180.0°
C10C11C12H12179.8°179.7°
C12C11C13N14149.2°179.7°
C12C11C13O1528.9°0.3°
C12C11C10H10179.8°179.8°
C11C13N14O15178.1°180.0°
C13C11C12H120.8°0.0°
C13C11C10H100.8°0.1°
C11C13N14H141178.1°0.0°
C11C13N14H1421.9°180.0°
C13N14H141H142180.0°180.0°
O15C13N14H1410.0°180.0°
O15C13N14H142180.0°0.0°
C16C17C18O22179.4°179.9°
C16C17C18C190.1°0.0°
C17C16C21C200.1°0.6°
C16C17O22C23133.6°180.0°
C17C16N7H735.1°32.4°
C17C16C21H21179.9°179.7°
C16C17C18H18179.9°180.0°
C21C16C17C180.1°0.3°
C21C16C17O22179.4°179.7°
C16C21C20C190.1°0.5°
C16C21C20H21180.0°179.7°
C16C21C20N28179.4°179.7°
C21C16N7H7144.3°147.9°
C17C18C19H18180.0°180.0°
C17C18C19C200.1°0.1°
C18C17O22C2345.9°0.0°
C17C18C19H19179.9°180.0°
O22C17C18C19179.3°179.9°
C17O22C23F2474.3°60.0°
C17O22C23F2547.4°180.0°
C17O22C23F26166.8°60.0°
O22C17C18H180.7°0.0°
C18C19C20H19180.0°180.0°
C18C19C20C210.1°0.2°
C18C19C20N28179.4°180.0°
C19C20C21N28179.4°179.8°
C19C20N28C29143.5°0.0°
C19C20N28C3333.2°123.8°
C19C20C21H21179.9°179.8°
C20C19C18H18179.9°180.0°
C21C20N28C2935.9°179.8°
C21C20N28C33147.4°56.4°
C21C20C19H19179.9°179.8°
C20N28C29C33176.6°123.9°
C20N28C29C30159.3°176.8°
C20N28C33C32159.9°176.8°
N28C20C21H210.6°0.0°
N28C20C19H190.6°0.0°
C20N28C29H29180.8°63.2°
C20N28C29H29239.3°56.9°
C20N28C33H33139.9°56.8°
C20N28C33H33280.1°63.2°
O22C23F24F25123.3°120.0°
O22C23F24F26119.1°120.0°
O22C23F25F26119.8°120.0°
F24C23F25F26117.8°120.0°
N28C29C30H291120.0°120.0°
N28C29C30H292120.0°120.0°
N28C29C30N3142.8°58.4°
C29N28C33C3223.4°59.3°
N28C29H291H292118.3°120.1°
C29N28C33H331143.4°179.3°
C29N28C33H33296.6°60.6°
N28C29C30H301162.8°178.4°
N28C29C30H30277.3°61.6°
C33N28C29C3024.1°59.3°
N28C33C32N3141.9°58.4°
N28C33C32H331120.0°119.9°
N28C33C32H332120.0°120.0°
C33N28C29H29195.9°60.6°
C33N28C29H292144.1°179.3°
N28C33H331H332118.0°120.1°
N28C33C32H321161.9°178.4°
N28C33C32H32278.1°61.6°
C29C30N31H301120.0°120.0°
C29C30N31H302120.0°120.0°
C29C30N31C3262.7°59.3°
C29C30N31C34178.6°176.8°
C30C29H291H292118.3°120.1°
C29C30H301H302119.0°120.0°
C30N31C32C34119.4°123.9°
C30N31C32C3361.8°59.3°
N31C30C29H29177.2°61.6°
N31C30C29H292162.7°178.4°
N31C30H301H302119.0°120.1°
C30N31C32H321178.2°179.3°
C30N31C32H32258.2°60.7°
C30N31C34H341180.0°60.0°
C30N31C34H34260.0°180.0°
C30N31C34H34360.0°60.0°
N31C32C33H321120.0°120.0°
N31C32C33H322120.0°120.0°
N31C32C33H331161.9°178.4°
N31C32C33H33278.0°61.6°
C32N31C30H301177.3°179.2°
C32N31C30H30257.3°60.7°
N31C32H321H322119.0°120.0°
C32N31C34H34161.1°63.8°
C32N31C34H342178.9°56.2°
C32N31C34H34358.9°176.2°
C34N31C32C33178.7°176.8°
C34N31C30H30158.6°56.8°
C34N31C30H30261.3°63.2°
C34N31C32H32158.8°56.8°
C34N31C32H32261.2°63.2°
N31C34H341H342120.0°120.0°
N31C34H341H343120.0°120.0°
N31C34H342H343120.0°120.0°
C32C33H331H332118.1°120.1°
C33C32H321H322119.0°120.1°
H6C6C5H50.4°0.1°
H271C27H272H273120.0°120.0°
H18C18C19H190.1°0.0°
H291C29C30H30142.8°58.4°
H291C29C30H302162.7°178.4°
H292C29C30H30177.3°61.7°
H292C29C30H30242.7°58.3°
H331C33C32H32178.1°61.7°
H331C33C32H32241.9°58.4°
H332C33C32H32141.9°58.4°
H332C33C32H322162.0°178.4°
H341C34H342H343120.0°120.0°

220472

PDB entries from 2024-05-29

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