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167

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.51Å
C1C16sing1.53Å1.52Å
C1H12sing1.09Å1.12Å
C1H11sing1.09Å1.11Å
C2C3sing1.53Å1.51Å
C2H22sing1.09Å1.12Å
C2H21sing1.09Å1.11Å
C3C4sing1.53Å1.51Å
C3H32sing1.09Å1.11Å
C3H31sing1.09Å1.11Å
C4C5sing1.51Å1.51Å
C4H42sing1.09Å1.12Å
C4H41sing1.09Å1.12Å
C5N6sing1.37Å1.32Å
C5N7doub1.29Å1.31Å
N6H62sing0.97Å1.02Å
N6H61sing0.97Å1.02Å
N7HN7sing0.97Å1.02Å
O8C15doub1.21Å1.19Å
O8AC15sing1.34Å1.25Å
O8AH8sing0.97Å0.95Å
O9C13sing1.43Å1.41Å
O9H9sing0.97Å0.95Å
C10C12sing1.51Å1.53Å
C10C13sing1.54Å1.55Å
C10C16sing1.53Å1.56Å
C10H10sing1.09Å1.11Å
C11C12doub1.38Å1.37ÅAromatic
C11C14sing1.51Å1.50Å
C11C39sing1.38Å1.37ÅAromatic
C12C36sing1.39Å1.38ÅAromatic
C13C14sing1.54Å1.53Å
C13H13sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C14H141sing1.09Å1.12Å
C36C37doub1.38Å1.38ÅAromatic
C36H36sing1.08Å1.10Å
C37C38sing1.39Å1.40ÅAromatic
C37H37sing1.08Å1.10Å
C38C39doub1.39Å1.38ÅAromatic
C38C43sing1.48Å1.52ÅAromatic
C39H39sing1.08Å1.10Å
C43C44doub1.39Å1.40ÅAromatic
C43C6sing1.39Å1.40ÅAromatic
C44C45sing1.38Å1.38ÅAromatic
C44H44sing1.08Å1.10Å
C45C24doub1.39Å1.39ÅAromatic
C45O54sing1.36Å1.40Å
C24C25sing1.38Å1.39ÅAromatic
C24H24sing1.08Å1.10Å
C25C6doub1.38Å1.39ÅAromatic
C25H25sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
C53O54sing1.43Å1.42Å
C53H533sing1.09Å1.11Å
C53H532sing1.09Å1.11Å
C53H531sing1.09Å1.12Å
C16C15sing1.51Å1.56Å
C16H16sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C16118.4°109.5°
C2C1H12109.0°109.5°
C2C1H11109.0°109.5°
C1C2C3108.1°109.5°
C1C2H22112.7°109.5°
C1C2H21112.7°109.5°
C16C1H12109.0°109.5°
C16C1H11109.0°109.5°
C1C16C10119.8°109.5°
C1C16C15111.5°109.4°
C1C16H16101.3°109.4°
H12C1H11101.0°109.4°
C3C2H22112.7°109.4°
C3C2H21112.7°109.4°
C2C3C4111.6°109.5°
C2C3H32111.4°109.5°
C2C3H31111.4°109.4°
H22C2H2197.7°109.5°
C4C3H32111.4°109.5°
C4C3H31111.4°109.5°
C3C4C5115.4°109.5°
C3C4H42110.1°109.5°
C3C4H41110.1°109.4°
H32C3H3199.0°109.5°
C5C4H42110.0°109.5°
C5C4H41110.0°109.4°
C4C5N6124.0°120.0°
C4C5N7119.8°120.0°
H42C4H41100.1°109.5°
N6C5N7116.0°120.0°
C5N6H62124.0°120.0°
C5N6H61107.0°120.0°
C5N7HN7113.3°120.0°
H62N6H61107.1°120.0°
O8C15O8A114.8°120.0°
O8C15C16120.9°120.0°
C15O8AH8114.8°120.0°
O8AC15C16123.1°120.0°
C13O9H9116.9°106.9°
O9C13C10116.9°110.9°
O9C13C14111.0°111.0°
O9C13H13100.9°110.7°
C12C10C1398.2°105.2°
C12C10C16127.2°110.3°
C12C10H10108.5°110.3°
C10C12C11106.4°109.7°
C10C12C36134.3°130.2°
C13C10C16116.1°110.4°
C13C10H10121.8°110.3°
C10C13C14100.8°102.4°
C10C13H13111.0°110.8°
C16C10H1086.9°110.2°
C10C16C15113.3°109.5°
C10C16H1698.9°109.5°
C12C11C14111.2°109.7°
C12C11C39123.8°120.0°
C11C12C36119.3°120.1°
C14C11C39124.8°130.3°
C11C14C13100.6°105.2°
C11C14H142115.6°110.3°
C11C14H141115.6°110.3°
C11C39C38117.9°120.1°
C11C39H39120.7°119.9°
C12C36C37116.9°120.3°
C12C36H36121.5°119.8°
C14C13H13117.0°110.8°
C13C14H142115.7°110.4°
C13C14H141115.7°110.3°
H142C14H14194.8°110.3°
C37C36H36121.6°119.9°
C36C37C38123.5°119.9°
C36C37H37117.7°120.0°
C38C37H37118.7°120.1°
C37C38C39118.0°119.7°
C37C38C43121.2°120.2°
C39C38C43120.7°120.1°
C38C39H39121.4°120.0°
C38C43C44119.0°120.1°
C38C43C6122.5°120.1°
C44C43C6118.5°119.8°
C43C44C45121.7°119.9°
C43C44H44119.8°120.1°
C43C6C25120.3°120.0°
C43C6H6120.3°120.0°
C45C44H44118.5°120.1°
C44C45C24118.7°120.0°
C44C45O54119.8°120.1°
C24C45O54121.5°120.0°
C45C24C25121.0°120.2°
C45C24H24119.6°119.9°
C45O54C53112.1°106.8°
C25C24H24119.4°119.9°
C24C25C6119.8°120.2°
C24C25H25120.2°119.9°
C6C25H25120.1°119.9°
C25C6H6119.4°120.0°
O54C53H533112.1°109.5°
O54C53H532111.3°109.4°
O54C53H531111.2°109.5°
H533C53H532111.3°109.5°
H533C53H531111.2°109.4°
H532C53H53199.1°109.5°
C15C16H16110.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C16H12125.3°120.0°
C2C1C16H11125.3°120.0°
C2C1H12H11114.7°120.0°
C1C2C3H22125.2°120.0°
C1C2C3H21125.3°120.0°
C1C2H22H21118.6°120.1°
C1C2C3C463.9°180.0°
C1C2C3H32170.8°60.0°
C1C2C3H3161.3°60.0°
C2C1C16C1079.5°180.0°
C2C1C16C1556.1°60.0°
C2C1C16H16173.2°60.0°
C16C1H12H11114.7°120.0°
C16C1C2C3176.8°180.0°
C16C1C2H2258.0°60.1°
C16C1C2H2151.5°60.0°
C1C16C15O881.6°120.1°
C1C16C15O8A85.4°60.0°
C1C16C10C1225.9°61.4°
C1C16C10C13150.8°177.3°
C1C16C10C15135.0°120.0°
C1C16C10H16108.6°120.0°
C1C16C10H1085.1°60.6°
C1C16C15H16111.6°120.0°
H12C1C2C358.0°60.0°
H12C1C2H2267.3°179.9°
H12C1C2H21176.8°60.0°
H12C1C16C1045.7°60.0°
H12C1C16C15178.6°180.0°
H12C1C16H1661.6°60.0°
H11C1C2C351.5°60.0°
H11C1C2H22176.7°60.0°
H11C1C2H2173.8°179.9°
H11C1C16C10155.2°60.0°
H11C1C16C1569.1°60.0°
H11C1C16H1647.9°180.0°
C3C2H22H21118.7°119.9°
C2C3C4H32125.2°120.0°
C2C3C4H31125.3°120.0°
C2C3H32H31117.3°119.9°
C2C3C4C5164.2°180.0°
C2C3C4H4270.5°60.0°
C2C3C4H4139.0°60.1°
H22C2C3C461.3°60.0°
H22C2C3H3263.9°180.0°
H22C2C3H31173.5°60.0°
H21C2C3C4170.8°60.0°
H21C2C3H3245.6°60.0°
H21C2C3H3164.0°180.0°
C4C3H32H31117.3°120.0°
C3C4C5H42125.3°120.0°
C3C4C5H41125.3°119.9°
C3C4H42H41115.9°120.0°
C3C4C5N641.7°180.0°
C3C4C5N7142.5°0.0°
H32C3C4C539.0°60.0°
H32C3C4H42164.2°180.0°
H32C3C4H4186.3°60.0°
H31C3C4C570.5°60.0°
H31C3C4H4254.7°60.0°
H31C3C4H41164.2°180.0°
C5C4H42H41115.8°120.0°
C4C5N6N7176.0°180.0°
C4C5N6H62180.0°180.0°
C4C5N6H6154.7°0.1°
C4C5N7HN724.6°180.0°
H42C4C5N6167.0°60.0°
H42C4C5N717.2°120.0°
H41C4C5N683.6°60.1°
H41C4C5N792.2°120.0°
C5N6H62H61125.3°179.8°
N6C5N7HN7151.6°0.0°
N7C5N6H624.0°0.1°
N7C5N6H61129.3°179.9°
O8C15O8AC16167.8°180.0°
O8C15O8AH8180.0°0.0°
O8C15C16C10139.7°0.0°
O8C15C16H1630.0°120.0°
O8AC15C16C1053.2°180.0°
O8AC15C16H16162.9°60.0°
H8O8AC15C1612.3°180.0°
O9C13C10C12166.7°92.1°
O9C13C10C14120.4°118.4°
O9C13C10H13115.0°123.3°
O9C13C10C1654.6°149.0°
O9C13C10H1048.8°26.9°
O9C13C14C11164.2°92.0°
O9C13C14H13115.0°123.4°
O9C13C14H14239.0°149.2°
O9C13C14H14170.6°27.0°
H9O9C13C10180.0°180.0°
H9O9C13C1465.1°66.8°
H9O9C13H1359.5°56.6°
C12C10C13C16138.7°119.0°
C12C10C13H10117.9°118.9°
C12C10C16H10111.0°122.0°
C10C12C11C36177.9°179.9°
C10C12C11C1412.4°0.1°
C10C12C11C39170.9°179.7°
C12C10C13C1446.3°26.4°
C12C10C13H1378.3°144.6°
C10C12C36C37171.3°180.0°
C10C12C36H368.7°0.0°
C12C10C16C15160.9°178.6°
C12C10C16H1682.7°58.6°
C13C10C16H10124.2°122.1°
C13C10C12C1136.6°17.2°
C10C13C14C1139.7°26.4°
C13C10C12C36145.9°162.8°
C10C13C14H13120.5°118.3°
C10C13C14H14285.6°92.5°
C10C13C14H141164.9°145.3°
C13C10C16C1574.3°62.7°
C13C10C16H1642.2°57.3°
C16C10C12C11168.5°101.9°
C16C10C12C3614.0°78.2°
C16C10C13C14175.0°92.6°
C16C10C13H1360.4°25.7°
C10C16C15H16109.7°120.0°
H10C10C12C1191.0°136.1°
H10C10C12C3686.5°43.8°
H10C10C13C1471.6°145.3°
H10C10C13H13163.8°96.4°
H10C10C16C1549.9°59.4°
H10C10C16H16166.3°179.4°
C12C11C14C39176.7°179.7°
C12C11C14C1317.7°17.3°
C12C11C14H142107.6°101.7°
C12C11C14H141143.0°136.2°
C11C12C36C375.9°0.0°
C11C12C36H36174.1°179.9°
C12C11C39C381.0°0.5°
C12C11C39H39179.0°179.8°
C14C11C12C36169.7°180.0°
C11C14C13H142125.3°118.9°
C11C14C13H141125.2°118.9°
C11C14C13H1380.8°144.7°
C11C14H142H141121.4°122.1°
C14C11C39C38175.3°179.8°
C14C11C39H394.7°0.1°
C39C11C12C367.1°0.2°
C39C11C14C13159.0°162.5°
C39C11C14H14275.7°78.6°
C39C11C14H14133.7°43.5°
C11C39C38C375.7°0.6°
C11C39C38H39180.0°179.7°
C11C39C38C43171.1°179.7°
C12C36C37H36180.0°180.0°
C12C36C37C380.7°0.0°
C12C36C37H37179.3°180.0°
C13C14H142H141121.5°122.1°
H13C13C14H142154.0°25.8°
H13C13C14H14144.4°96.4°
C36C37C38H37180.0°180.0°
C36C37C38C396.7°0.3°
C36C37C38C43170.0°180.0°
H36C36C37C38179.3°180.0°
H36C36C37H370.7°0.1°
C37C38C39C43176.7°179.7°
C37C38C39H39174.4°179.7°
C37C38C43C44136.8°39.5°
C37C38C43C641.0°140.2°
H37C37C38C39173.4°179.7°
H37C37C38C439.9°0.0°
C39C38C43C4439.8°140.2°
C39C38C43C6142.4°40.0°
C43C38C39H398.9°0.0°
C38C43C44C6177.9°179.8°
C38C43C44C45176.2°179.8°
C38C43C44H443.8°0.2°
C38C43C6C25176.3°180.0°
C38C43C6H63.7°0.0°
C43C44C45H44180.0°179.5°
C43C44C45C240.4°0.5°
C43C44C45O54179.2°179.8°
C44C43C6C251.5°0.2°
C44C43C6H6178.4°179.8°
C6C43C44C451.7°0.5°
C6C43C44H44178.3°180.0°
C43C6C25C240.0°0.0°
C43C6C25H6180.0°180.0°
C43C6C25H25180.0°180.0°
C44C45C24O54179.5°179.8°
C44C45C24C251.2°0.2°
C44C45C24H24178.8°179.8°
C44C45O54C53106.2°179.8°
H44C44C45C24179.6°180.0°
H44C44C45O540.8°0.2°
C45C24C25H24180.0°180.0°
C45C24C25C61.4°0.0°
C45C24C25H25178.6°180.0°
C24C45O54C5373.3°0.0°
O54C45C24C25179.3°180.0°
O54C45C24H240.7°0.0°
C45O54C53H533180.0°180.0°
C45O54C53H53254.7°60.0°
C45O54C53H53154.7°60.0°
C24C25C6H25179.9°180.0°
C24C25C6H6179.9°180.0°
H24C24C25C6178.6°180.0°
H24C24C25H251.4°0.0°
H25C25C6H60.0°0.0°
O54C53H533H532125.3°120.0°
O54C53H533H531125.2°120.0°
O54C53H532H531117.1°120.0°
H533C53H532H531117.1°120.0°

226262

PDB entries from 2024-10-16

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