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P9C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O16C10sing1.46Å1.45Å
O16C15sing1.45Å1.46Å
C5O19doub1.21Å1.22Å
C1O20doub1.21Å1.25Å
C25O30sing1.36Å1.36Å
O30HO30sing0.97Å0.95Å
C23O31sing1.36Å1.40Å
O31HO31sing0.97Å0.95Å
C21O32sing1.35Å1.26Å
O32HO32sing0.97Å0.95Å
O33C21doub1.22Å1.28Å
C24N28sing1.40Å1.46Å
N28C1sing1.35Å1.33Å
N28HN28sing0.97Å1.00Å
C1C2sing1.51Å1.50Å
C2C3sing1.53Å1.52Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3C4sing1.54Å1.56Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C9C4sing1.51Å1.54Å
C18C4sing1.53Å1.56Å
C4C5sing1.52Å1.56Å
C5C6sing1.51Å1.49Å
C7C6sing1.54Å1.52Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C8C7sing1.51Å1.51Å
C7C39sing1.51Å1.52Å
C7H7sing1.09Å1.10Å
C9C8sing1.52Å1.57Å
C13C8sing1.54Å1.59Å
C14C8sing1.56Å1.55Å
C10C9sing1.53Å1.57Å
C9H9sing1.13Å1.10Å
C11C10sing1.55Å1.54Å
C10H10sing1.09Å1.10Å
C11C12sing1.56Å1.55Å
C11H11sing1.08Å1.10Å
C11H11Asing1.10Å1.10Å
C12C15sing1.56Å1.57Å
C12C13sing1.56Å1.56Å
C12H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15C14sing1.56Å1.57Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C17C15sing1.53Å1.56Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C18H18Bsing1.09Å1.10Å
C21C22sing1.47Å1.56Å
C27C22doub1.40Å1.41ÅAromatic
C22C23sing1.40Å1.43ÅAromatic
C23C24doub1.39Å1.41ÅAromatic
C25C24sing1.39Å1.40ÅAromatic
C26C25doub1.39Å1.42ÅAromatic
C27C26sing1.38Å1.38ÅAromatic
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C39C34doub1.38Å1.40ÅAromatic
C34C36sing1.38Å1.41ÅAromatic
C34H34sing1.08Å1.08Å
C39C35sing1.38Å1.39ÅAromatic
C35C38doub1.38Å1.40ÅAromatic
C35H35sing1.08Å1.08Å
C36C37doub1.38Å1.39ÅAromatic
C36H36sing1.08Å1.08Å
C38C37sing1.38Å1.40ÅAromatic
C37H37sing1.08Å1.08Å
C38H38sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10O16C15102.8°104.7°
O16C10C9108.8°106.4°
O16C10C1199.5°99.4°
O16C10H10117.9°111.1°
O16C15C12104.4°105.8°
O16C15C14106.8°104.4°
O16C15C17105.6°113.5°
O19C5C4120.9°120.4°
O19C5C6120.0°121.0°
O20C1N28122.2°120.0°
O20C1C2120.3°120.0°
C25O30HO30109.5°114.1°
O30C25C24122.3°119.9°
O30C25C26117.7°119.9°
C23O31HO31109.5°114.0°
O31C23C22123.3°120.2°
O31C23C24116.8°120.1°
C21O32HO32109.5°117.0°
O32C21O33122.3°120.0°
O32C21C22120.7°120.0°
O33C21C22117.0°120.0°
C24N28C1126.8°119.9°
C24N28HN28116.6°120.1°
N28C24C23117.3°120.1°
N28C24C25122.8°120.0°
C1N28HN28116.6°120.0°
N28C1C2117.5°120.0°
C1C2C3107.2°109.5°
C1C2H2110.2°109.5°
C1C2H2A110.8°109.5°
C3C2H2110.2°109.5°
C3C2H2A110.7°109.5°
C2C3C4116.4°109.5°
C2C3H3107.2°109.5°
C2C3H3A105.6°109.5°
H2C2H2A107.7°109.5°
C4C3H3107.2°109.4°
C4C3H3A105.6°109.5°
C3C4C9109.9°108.9°
C3C4C18107.8°107.9°
C3C4C5111.3°107.2°
H3C3H3A115.1°109.4°
C9C4C18114.6°114.0°
C9C4C5106.0°110.2°
C4C9C8113.8°116.2°
C4C9C10117.4°114.5°
C4C9H9100.3°104.6°
C18C4C5107.2°108.5°
C4C18H18109.5°109.5°
C4C18H18A109.5°109.5°
C4C18H18B109.4°109.5°
C4C5C6119.1°118.5°
C5C6C7113.3°107.3°
C5C6H6108.2°109.8°
C5C6H6A107.4°110.3°
C7C6H6108.2°109.6°
C7C6H6A107.3°109.9°
C6C7C8113.1°110.0°
C6C7C39112.2°109.4°
C6C7H7107.8°108.8°
H6C6H6A112.5°109.9°
C8C7C39116.4°110.6°
C8C7H7102.4°108.9°
C7C8C9113.5°115.6°
C7C8C13110.7°111.7°
C7C8C14117.8°110.9°
C39C7H7103.6°109.0°
C7C39C34120.3°120.0°
C7C39C35120.1°120.0°
C9C8C13114.3°111.0°
C9C8C14101.5°106.2°
C8C9C10110.1°112.0°
C8C9H9109.3°104.3°
C13C8C1497.9°100.1°
C8C13C12101.1°101.4°
C8C13H13112.4°110.7°
C8C13H13A114.1°111.9°
C8C14C15102.2°99.9°
C8C14H14112.0°111.4°
C8C14H14A113.5°110.8°
C10C9H9104.9°103.5°
C9C10C11114.4°112.6°
C9C10H10104.0°113.2°
C11C10H10112.7°113.1°
C10C11C1299.1°99.8°
C10C11H11113.1°115.2°
C10C11H11A115.2°110.5°
C12C11H11113.1°111.9°
C12C11H11A115.2°109.9°
C11C12C15103.0°102.5°
C11C12C13106.3°103.0°
C11C12H12114.1°114.9°
H11C11H11A101.7°109.3°
C15C12C13105.2°105.3°
C15C12H12115.1°114.7°
C12C15C14104.5°105.1°
C12C15C17117.7°113.5°
C13C12H12112.2°114.9°
C12C13H13112.4°110.8°
C12C13H13A114.1°111.6°
H13C13H13A103.2°110.2°
C15C14H14111.9°111.0°
C15C14H14A113.5°111.5°
C14C15C17116.8°113.6°
H14C14H14A104.1°111.8°
C15C17H17109.5°109.4°
C15C17H17A109.4°109.5°
C15C17H17B109.5°109.5°
H17C17H17A109.5°109.5°
H17C17H17B109.4°109.5°
H17AC17H17B109.5°109.4°
H18C18H18A109.5°109.4°
H18C18H18B109.5°109.4°
H18AC18H18B109.5°109.5°
C21C22C27124.1°120.1°
C21C22C23116.4°120.1°
C27C22C23119.5°119.8°
C22C27C26120.2°120.0°
C22C27H27119.9°120.0°
C22C23C24119.9°119.7°
C23C24C25119.9°119.9°
C24C25C26120.0°120.2°
C25C26C27120.5°120.4°
C25C26H26119.7°119.8°
C27C26H26119.7°119.9°
C26C27H27119.9°120.0°
C39C34C36120.7°120.0°
C39C34H34119.7°120.0°
C34C39C35119.6°120.0°
C36C34H34119.7°120.0°
C34C36C37119.3°120.0°
C34C36H36120.4°120.0°
C39C35C38120.1°120.0°
C39C35H35119.9°120.0°
C38C35H35119.9°120.0°
C35C38C37120.1°120.0°
C35C38H38119.9°120.0°
C37C36H36120.4°120.0°
C36C37C38120.2°120.0°
C36C37H37119.9°120.0°
C38C37H37119.9°120.0°
C37C38H38120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O16C10C9C4165.3°167.1°
O16C10C9C862.4°57.8°
O16C10C9C11110.3°107.9°
O16C10C9H10126.5°122.3°
O16C10C9H955.0°53.9°
O16C10C11H10125.8°117.9°
O16C10C11C1251.5°49.5°
O16C10C11H11171.5°169.4°
O16C10C11H11A72.0°66.2°
C10O16C15C1234.7°30.6°
C10O16C15C1475.7°80.0°
C10O16C15C17159.4°155.7°
O16C15C14C878.9°77.2°
C15O16C10C965.5°66.5°
C15O16C10C1154.5°50.5°
C15O16C10H10176.6°169.9°
O16C15C12C111.6°1.7°
O16C15C12C14112.0°110.2°
O16C15C12C17116.6°125.1°
O16C15C12C13112.8°105.8°
O16C15C12H12123.2°126.8°
O16C15C14C17117.8°124.2°
O16C15C14H1441.1°40.4°
O16C15C14H14A158.5°165.7°
O16C15C17H1736.4°61.0°
O16C15C17H17A83.7°178.9°
O16C15C17H17B156.3°58.9°
O19C5C4C335.5°14.9°
O19C5C4C9155.0°133.2°
O19C5C4C1882.2°101.4°
O19C5C4C6179.8°179.8°
O19C5C6C7150.3°122.6°
O19C5C6H689.7°3.6°
O19C5C6H6A32.0°117.6°
O20C1N28C240.5°5.6°
O20C1N28C2179.6°179.9°
O20C1N28HN28179.4°174.4°
O20C1C2C382.3°0.0°
O20C1C2H2157.7°119.9°
O20C1C2H2A38.5°120.0°
O30C25C24N280.6°0.0°
O30C25C24C23179.5°179.9°
O30C25C24C26179.8°179.9°
O30C25C26C27179.7°179.7°
O30C25C26H260.3°0.1°
HO30O30C25C2440.0°85.1°
HO30O30C25C26140.2°94.9°
O31C23C24N280.8°0.1°
O31C23C22C210.9°0.0°
O31C23C22C27179.5°179.8°
O31C23C22C24179.9°179.9°
O31C23C24C25179.3°180.0°
HO31O31C23C2256.1°90.0°
HO31O31C23C24124.0°90.0°
O32C21O33C22180.0°179.9°
O32C21C22C27178.1°0.3°
O32C21C22C232.4°180.0°
HO32O32C21O330.0°0.0°
HO32O32C21C22180.0°180.0°
O33C21C22C272.0°179.8°
O33C21C22C23177.6°0.0°
C24N28C1HN28180.0°179.9°
C24N28C1C2179.8°174.5°
N28C24C23C22179.1°180.0°
N28C24C23C25179.9°180.0°
N28C24C25C26179.6°179.9°
N28C1C2C398.0°180.0°
N28C1C2H222.0°60.0°
N28C1C2H2A141.1°60.1°
C1N28C24C2366.0°52.1°
C1N28C24C25113.9°127.9°
HN28N28C1C20.2°5.5°
HN28N28C24C23114.0°127.9°
HN28N28C24C2566.1°52.0°
C1C2C3H2120.0°120.0°
C1C2C3H2A120.9°120.0°
C1C2H2H2A121.0°120.0°
C1C2C3C4179.9°174.7°
C1C2C3H360.0°65.4°
C1C2C3H3A63.2°54.7°
C3C2H2H2A120.9°120.0°
C2C3C4H3120.0°120.0°
C2C3C4H3A116.8°120.0°
C2C3H3H3A117.2°120.1°
C2C3C4C952.9°174.2°
C2C3C4C18178.4°50.1°
C2C3C4C564.3°66.6°
H2C2C3C460.1°54.7°
H2C2C3H3179.9°174.6°
H2C2C3H3A56.8°65.3°
H2AC2C3C459.0°65.4°
H2AC2C3H361.0°54.6°
H2AC2C3H3A175.9°174.6°
C4C3H3H3A117.2°119.9°
C3C4C9C18121.5°120.4°
C3C4C9C5120.4°117.3°
C3C4C18C5120.0°115.8°
C3C4C5C6144.3°165.3°
C3C4C9C8179.0°154.5°
C3C4C9C1050.4°72.4°
C3C4C9H962.4°40.2°
C3C4C18H1856.6°60.0°
C3C4C18H18A176.6°180.0°
C3C4C18H18B63.4°59.9°
H3C3C4C9172.8°54.2°
H3C3C4C1861.7°69.9°
H3C3C4C555.7°173.4°
H3AC3C4C964.0°65.8°
H3AC3C4C1861.5°170.1°
H3AC3C4C5178.9°53.4°
C9C4C18C5117.3°123.2°
C9C4C5C624.8°46.9°
C4C9C8C737.0°43.7°
C4C9C8C10134.1°134.2°
C4C9C8H9111.2°114.5°
C4C9C8C1391.3°84.9°
C4C9C8C14164.4°167.2°
C4C9C10H9110.2°113.2°
C4C9C10C1184.5°85.0°
C4C9C10H1038.8°44.8°
C9C4C18H1866.1°61.0°
C9C4C18H18A53.9°59.0°
C9C4C18H18B173.9°179.1°
C18C4C5C698.0°78.5°
C18C4C9C859.5°85.1°
C18C4C9C1071.1°48.1°
C18C4C9H9176.1°160.6°
C4C18H18H18A120.0°120.0°
C4C18H18H18B120.0°120.0°
C4C18H18AH18B120.0°120.0°
C4C5C6C729.9°57.5°
C4C5C6H690.1°176.6°
C4C5C6H6A148.3°62.2°
C5C4C9C858.5°37.2°
C5C4C9C10170.9°170.3°
C5C4C9H958.0°77.1°
C5C4C18H18176.6°175.8°
C5C4C18H18A63.4°64.2°
C5C4C18H18B56.6°55.9°
C5C6C7H6120.0°119.2°
C5C6C7H6A118.3°119.9°
C5C6H6H6A118.4°121.5°
C5C6C7C854.2°57.1°
C5C6C7C39171.7°64.7°
C5C6C7H758.3°176.3°
C7C6H6H6A118.4°120.9°
C6C7C8C39132.1°121.0°
C6C7C8H7115.7°119.2°
C6C7C39H7115.9°118.9°
C6C7C8C920.4°53.2°
C6C7C8C13150.6°75.0°
C6C7C8C1498.0°174.2°
C6C7C39C3451.7°120.0°
C6C7C39C35127.6°59.5°
H6C6C7C865.8°176.2°
H6C6C7C3968.3°54.5°
H6C6C7H7178.3°64.5°
H6AC6C7C8172.5°62.9°
H6AC6C7C3953.3°175.4°
H6AC6C7H760.1°56.4°
C8C7C39H7111.6°119.7°
C7C8C9C13128.3°128.6°
C7C8C9C14127.4°123.5°
C7C8C13C14123.8°117.5°
C7C8C9C10171.1°177.9°
C7C8C9H974.1°70.8°
C7C8C13C12174.4°166.3°
C7C8C13H1354.4°48.7°
C7C8C13H13A62.7°74.7°
C7C8C14C15168.9°169.3°
C7C8C14H1471.1°73.4°
C7C8C14H14A46.3°51.7°
C8C7C39C3480.8°118.6°
C8C7C39C3599.9°61.9°
C39C7C8C9152.5°67.8°
C39C7C8C1377.4°164.0°
C39C7C8C1434.1°53.2°
C7C39C34C35179.4°179.5°
C7C39C34C36179.3°180.0°
C7C39C34H340.7°0.2°
C7C39C35C38179.5°180.0°
C7C39C35H350.5°0.3°
H7C7C8C995.3°172.4°
H7C7C8C1334.9°44.2°
H7C7C8C14146.4°66.6°
H7C7C39C34167.7°1.1°
H7C7C39C3511.7°178.4°
C9C8C13C14106.5°111.9°
C8C9C10H9117.5°111.8°
C8C9C10C1147.8°50.1°
C8C9C10H10171.1°179.9°
C9C8C13C1255.9°63.1°
C9C8C13H13175.9°179.3°
C9C8C13H13A67.0°56.0°
C9C8C14C1566.5°64.3°
C9C8C14H1453.4°53.0°
C9C8C14H14A170.9°178.1°
C13C8C9C1042.8°49.3°
C13C8C9H9157.5°160.6°
C8C13C12C1177.0°79.8°
C8C13C12C1531.8°27.3°
C8C13C12H13120.0°117.5°
C8C13C12H13A122.9°119.3°
C8C13C12H12157.7°154.6°
C8C13H13H13A123.4°124.3°
C13C8C14C1550.4°51.2°
C13C8C14H14170.4°168.5°
C13C8C14H14A72.2°66.4°
C14C8C9C1061.5°58.6°
C14C8C9H953.3°52.7°
C8C14C15C1231.4°34.0°
C14C8C13C1250.6°48.8°
C14C8C13H1369.4°68.8°
C14C8C13H13A173.5°167.8°
C8C14C15H14120.0°117.6°
C8C14C15H14A122.6°117.1°
C8C14H14H14A123.0°124.5°
C8C14C15C17163.3°158.6°
C9C10C11H10118.5°129.8°
C9C10C11C1264.3°62.8°
C9C10C11H1155.7°57.1°
C9C10C11H11A172.2°178.5°
H9C9C10C11165.3°161.8°
H9C9C10H1071.4°68.4°
C10C11C12H11120.0°122.3°
C10C11C12H11A123.5°116.1°
C10C11H11H11A124.2°125.0°
C10C11C12C1529.6°30.8°
C10C11C12C1380.8°78.4°
C10C11C12H12155.0°155.9°
H10C10C11C12177.2°167.4°
H10C10C11H1162.8°72.7°
H10C10C11H11A53.7°51.7°
C12C11H11H11A124.2°121.9°
C11C12C15C13111.2°107.4°
C11C12C15H12124.8°125.2°
C11C12C13H12125.4°125.6°
C11C12C13H13163.0°162.7°
C11C12C13H13A46.0°39.5°
C11C12C15C14110.4°111.8°
C11C12C15C17118.2°123.4°
H11C11C12C15149.6°153.1°
H11C11C12C1339.2°43.9°
H11C11C12H1285.0°81.8°
H11AC11C12C1594.0°85.3°
H11AC11C12C13155.6°165.5°
H11AC11C12H1231.5°39.8°
C15C12C13H12125.8°127.3°
C15C12C13H1388.2°90.2°
C15C12C13H13A154.8°146.6°
C12C15C14C17131.9°124.6°
C12C15C14H14151.4°151.6°
C12C15C14H14A91.2°83.2°
C12C15C17H1779.6°178.1°
C12C15C17H17A160.4°58.1°
C12C15C17H17B40.4°61.9°
C12C13H13H13A123.4°124.0°
C13C12C15C140.8°4.4°
C13C12C15C17130.6°129.1°
H12C12C13H1337.7°37.1°
H12C12C13H13A79.4°86.1°
H12C12C15C14124.8°123.0°
H12C12C15C176.6°1.7°
C15C14H14H14A122.9°125.1°
C14C15C17H17154.8°58.1°
C14C15C17H17A34.8°61.9°
C14C15C17H17B85.2°178.1°
H14C14C15C1776.7°83.8°
H14AC14C15C1740.7°41.5°
C15C17H17H17A120.0°120.1°
C15C17H17H17B120.0°120.0°
C15C17H17AH17B120.0°120.0°
H17C17H17AH17B120.0°120.0°
H18C18H18AH18B120.0°120.0°
C21C22C27C23179.6°179.7°
C21C22C23C24179.1°180.0°
C21C22C27C26179.8°179.7°
C21C22C27H270.3°0.0°
C27C22C23C240.5°0.3°
C22C27C26C250.7°0.5°
C22C27C26H27180.0°179.7°
C22C27C26H26179.3°179.7°
C22C23C24C250.8°0.0°
C23C22C27C260.2°0.5°
C23C22C27H27179.8°179.7°
C23C24C25C260.3°0.0°
C24C25C26C270.5°0.2°
C24C25C26H26179.5°179.9°
C25C26C27H26180.0°179.9°
C25C26C27H27179.3°179.8°
H26C26C27H270.7°0.1°
C39C34C36H34180.0°179.8°
C34C39C35C380.2°0.5°
C34C39C35H35179.9°179.7°
C39C34C36C370.1°0.2°
C39C34C36H36179.8°179.7°
C36C34C39C350.1°0.5°
C34C36C37H36180.0°180.0°
C34C36C37C380.7°0.0°
C34C36C37H37179.4°180.0°
H34C34C39C35179.9°179.7°
H34C34C36C37179.8°180.0°
H34C34C36H360.2°0.1°
C39C35C38H35180.0°179.7°
C39C35C38C370.7°0.3°
C39C35C38H38179.4°180.0°
C35C38C37C360.9°0.0°
C35C38C37H38180.0°179.8°
C35C38C37H37179.1°180.0°
H35C35C38C37179.4°180.0°
H35C35C38H380.6°0.2°
C36C37C38H37180.0°180.0°
C36C37C38H38179.1°179.8°
H36C36C37C38179.3°180.0°
H36C36C37H370.7°0.0°
H37C37C38H380.9°0.2°

223532

PDB entries from 2024-08-07

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