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088

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.53Å1.51Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C4C2sing1.51Å1.47Å
C3C2sing1.53Å1.51Å
C2H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
C8C4doub1.35Å1.37ÅAromatic
C4O5sing1.34Å1.35ÅAromatic
N6O5sing1.21Å1.40ÅAromatic
C7N6doub1.31Å1.34ÅAromatic
C30C7sing1.48Å1.43ÅAromatic
C7C8sing1.42Å1.41ÅAromatic
C9C8sing1.51Å1.50Å
O10C9sing1.43Å1.44Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C11O10sing1.36Å1.42Å
C12C11doub1.39Å1.42ÅAromatic
C11C29sing1.38Å1.41ÅAromatic
C13C12sing1.38Å1.42ÅAromatic
C12H12sing1.08Å1.08Å
C13C14doub1.39Å1.41ÅAromatic
C13H13sing1.08Å1.08Å
N15C14sing1.38Å1.39ÅAromatic
C14C28sing1.41Å1.40ÅAromatic
C16N15sing1.47Å1.51Å
N15C26sing1.37Å1.38ÅAromatic
C17C16sing1.51Å1.55Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C18C17doub1.38Å1.42ÅAromatic
C17C22sing1.38Å1.41ÅAromatic
C19C18sing1.38Å1.43ÅAromatic
C18H18sing1.08Å1.08Å
C19C20doub1.38Å1.42ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.40Å1.40ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.40Å1.39ÅAromatic
C21C23sing1.48Å1.48Å
C22H22sing1.08Å1.08Å
O25C23doub1.21Å1.36Å
C23O24sing1.35Å1.24Å
O24HO24sing0.97Å0.95Å
C26C27doub1.34Å1.37ÅAromatic
C26H26sing1.08Å1.08Å
C28C27sing1.46Å1.40ÅAromatic
C27H27sing1.08Å1.08Å
C28C29doub1.40Å1.40ÅAromatic
C29H29sing1.08Å1.08Å
C31C30doub1.39Å1.43ÅAromatic
C30C36sing1.39Å1.41ÅAromatic
C33C31sing1.38Å1.40ÅAromatic
CL32C31sing1.74Å1.73Å
C33C34doub1.38Å1.41ÅAromatic
C33H33sing1.08Å1.08Å
C34C35sing1.38Å1.42ÅAromatic
C34H34sing1.08Å1.08Å
C35C36doub1.38Å1.39ÅAromatic
C35H35sing1.08Å1.08Å
C36CL37sing1.74Å1.72Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.5°109.4°
C1C2C4110.1°109.4°
C1C2C3109.8°109.5°
C1C2H2108.8°109.4°
H1C1H1A109.5°109.5°
H1C1H1B109.4°109.5°
H1AC1H1B109.5°109.4°
C4C2C3109.5°109.5°
C4C2H2109.1°109.5°
C2C4C8132.5°126.7°
C2C4O5116.8°126.7°
C3C2H2109.4°109.5°
C2C3H3109.5°109.5°
C2C3H3A109.5°109.5°
C2C3H3B109.5°109.5°
H3C3H3A109.4°109.4°
H3C3H3B109.4°109.5°
H3AC3H3B109.5°109.5°
C8C4O5110.7°106.7°
C4C8C7103.5°104.0°
C4C8C9128.2°128.0°
C4O5N6108.5°111.8°
O5N6C7105.7°111.4°
N6C7C30121.4°126.9°
N6C7C8111.6°106.1°
C30C7C8126.9°127.0°
C7C30C31120.3°120.2°
C7C30C36119.7°120.2°
C7C8C9128.3°128.0°
C8C9O10111.1°109.5°
C8C9H9109.0°109.5°
C8C9H9A108.6°109.4°
O10C9H9108.9°109.5°
O10C9H9A108.6°109.5°
C9O10C11115.7°117.0°
H9C9H9A110.7°109.5°
O10C11C12117.6°119.9°
O10C11C29121.0°119.9°
C12C11C29121.4°120.3°
C11C12C13122.4°120.6°
C11C12H12118.8°119.7°
C11C29C28116.3°119.6°
C11C29H29121.8°120.1°
C13C12H12118.8°119.7°
C12C13C14114.9°120.0°
C12C13H13122.5°120.0°
C14C13H13122.6°120.0°
C13C14N15130.7°133.3°
C13C14C28122.5°119.5°
N15C14C28106.8°107.1°
C14N15C16124.6°125.1°
C14N15C26108.7°109.9°
C14C28C27107.9°106.1°
C14C28C29122.5°120.0°
C16N15C26126.7°125.1°
N15C16C17116.2°109.5°
N15C16H16107.3°109.5°
N15C16H16A105.7°109.4°
N15C26C27108.6°109.9°
N15C26H26125.7°125.0°
C17C16H16107.2°109.5°
C17C16H16A105.7°109.5°
C16C17C18120.8°119.9°
C16C17C22120.7°119.9°
H16C16H16A114.9°109.5°
C18C17C22118.5°120.1°
C17C18C19119.8°120.3°
C17C18H18120.1°119.8°
C17C22C21121.1°119.9°
C17C22H22119.4°120.1°
C19C18H18120.1°119.9°
C18C19C20120.2°120.1°
C18C19H19119.9°119.9°
C20C19H19119.9°120.0°
C19C20C21118.8°119.9°
C19C20H20120.6°120.1°
C21C20H20120.6°120.1°
C20C21C22121.5°119.7°
C20C21C23121.2°120.2°
C22C21C23117.3°120.2°
C21C22H22119.4°120.0°
C21C23O25116.1°120.0°
C21C23O24120.8°120.0°
O25C23O24123.1°120.0°
C23O24HO24109.5°117.0°
C27C26H26125.7°125.1°
C26C27C28107.9°107.1°
C26C27H27126.0°126.5°
C28C27H27126.1°126.5°
C27C28C29129.7°133.9°
C28C29H29121.9°120.3°
C31C30C36120.0°119.7°
C30C31C33120.0°119.9°
C30C31CL32120.8°120.0°
C30C36C35119.4°119.9°
C30C36CL37121.5°120.0°
C33C31CL32119.2°120.1°
C31C33C34119.6°120.1°
C31C33H33120.2°119.9°
C34C33H33120.2°119.9°
C33C34C35120.3°120.3°
C33C34H34119.8°119.8°
C35C34H34119.8°119.9°
C34C35C36120.6°120.2°
C34C35H35119.7°120.0°
C36C35H35119.7°119.9°
C35C36CL37119.1°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H1H1A120.0°120.1°
C2C1H1H1B120.0°120.0°
C2C1H1AH1B120.0°120.0°
C1C2C4C3120.8°120.0°
C1C2C4H2119.4°119.9°
C1C2C3H2119.4°120.0°
C1C2C3H3174.4°60.0°
C1C2C3H3A65.6°60.0°
C1C2C3H3B54.4°180.0°
C1C2C4C8121.6°119.7°
C1C2C4O558.1°60.0°
H1C1H1AH1B120.0°120.0°
H1C1C2C4130.5°180.0°
H1C1C2C39.9°60.0°
H1C1C2H2109.9°60.1°
H1AC1C2C4109.5°59.9°
H1AC1C2C3129.9°179.9°
H1AC1C2H210.1°60.0°
H1BC1C2C410.5°60.0°
H1BC1C2C3110.1°60.0°
H1BC1C2H2130.1°179.9°
C4C2C3H2119.6°120.0°
C4C2C3H353.4°180.0°
C4C2C3H3A173.4°60.0°
C4C2C3H3B66.6°60.0°
C2C4C8O5179.7°179.8°
C2C4O5N6179.6°180.0°
C2C4C8C7179.4°179.8°
C2C4C8C91.3°0.2°
C2C3H3H3A120.0°120.1°
C2C3H3H3B120.0°120.0°
C2C3H3AH3B120.0°120.0°
C3C2C4C8117.5°120.3°
C3C2C4O562.7°59.9°
H2C2C3H366.2°60.0°
H2C2C3H3A53.8°180.0°
H2C2C3H3B173.8°60.0°
H2C2C4C82.2°0.2°
H2C2C4O5177.5°180.0°
H3C3H3AH3B120.0°119.9°
C8C4O5N60.6°0.2°
C4C8C7N60.8°0.4°
C4C8C7C30178.5°179.9°
C4C8C7C9179.3°179.6°
C4C8C9O10140.2°84.5°
C4C8C9H999.8°35.6°
C4C8C9H9A20.9°155.5°
C4O5N6C70.1°0.0°
O5C4C8C70.8°0.3°
O5C4C8C9178.4°180.0°
O5N6C7C30178.9°180.0°
O5N6C7C80.4°0.2°
N6C7C30C8179.2°179.7°
N6C7C8C9178.5°180.0°
N6C7C30C3193.9°121.4°
N6C7C30C3685.7°58.3°
C30C7C8C92.2°0.2°
C7C30C31C36179.6°179.7°
C7C30C31C33178.2°180.0°
C7C30C31CL321.2°0.0°
C7C30C36C35178.1°179.7°
C7C30C36CL373.1°0.0°
C7C8C9O1040.7°95.9°
C7C8C9H979.3°144.0°
C7C8C9H9A160.0°24.0°
C8C7C30C3185.3°58.9°
C8C7C30C3695.1°121.4°
C8C9O10H9120.0°120.0°
C8C9O10H9A119.3°119.9°
C8C9H9H9A119.3°119.9°
C8C9O10C11147.7°180.0°
O10C9H9H9A119.4°120.0°
C9O10C11C12162.1°0.3°
C9O10C11C2918.4°180.0°
H9C9O10C1127.7°60.0°
H9AC9O10C1193.0°60.1°
O10C11C12C29179.5°179.7°
O10C11C12C13179.0°180.0°
O10C11C12H121.0°0.1°
O10C11C29C28179.8°179.8°
O10C11C29H290.2°0.1°
C11C12C13H12180.0°179.9°
C11C12C13C140.6°0.0°
C11C12C13H13179.5°180.0°
C12C11C29C280.8°0.5°
C12C11C29H29179.3°179.8°
C29C11C12C131.5°0.3°
C29C11C12H12178.5°179.8°
C11C29C28C140.8°0.5°
C11C29C28C27179.6°179.8°
C11C29C28H29180.0°179.7°
C12C13C14H13180.0°180.0°
C12C13C14N15176.3°180.0°
C12C13C14C281.0°0.0°
H12C12C13C14179.4°179.9°
H12C12C13H130.6°0.1°
C13C14N15C28177.6°180.0°
C13C14N15C160.7°0.0°
C13C14N15C26179.3°180.0°
C13C14C28C27179.2°180.0°
C13C14C28C291.8°0.2°
H13C13C14N153.8°0.0°
H13C13C14C28178.9°180.0°
C14N15C16C26180.0°180.0°
C14N15C16C17150.8°85.0°
C14N15C16H1630.8°155.0°
C14N15C16H16A92.3°35.0°
C14N15C26C272.0°0.0°
C14N15C26H26178.1°179.9°
N15C14C28C273.0°0.1°
N15C14C28C29176.1°179.7°
C28C14N15C16176.9°180.0°
C28C14N15C263.0°0.0°
C14C28C27C261.8°0.1°
C14C28C27C29179.0°179.8°
C14C28C27H27178.2°180.0°
C14C28C29H29179.2°179.8°
N15C16C17H16120.0°120.0°
N15C16C17H16A116.9°120.0°
N15C16H16H16A117.3°120.0°
N15C16C17C18123.1°89.7°
N15C16C17C2257.6°90.0°
C16N15C26C27178.0°180.0°
C16N15C26H262.0°0.1°
C26N15C16C1729.1°95.0°
C26N15C16H16149.1°25.0°
C26N15C16H16A87.8°145.0°
N15C26C27H26180.0°179.9°
N15C26C27C280.1°0.1°
N15C26C27H27179.9°180.0°
C17C16H16H16A117.2°120.0°
C16C17C18C22179.3°179.7°
C16C17C18C19179.2°180.0°
C16C17C18H180.8°0.0°
C16C17C22C21179.9°179.7°
C16C17C22H220.1°0.0°
H16C16C17C183.1°150.3°
H16C16C17C22177.7°30.0°
H16AC16C17C18119.9°30.3°
H16AC16C17C2259.3°150.0°
C17C18C19H18180.0°180.0°
C17C18C19C200.4°0.0°
C17C18C19H19179.6°180.0°
C18C17C22C210.7°0.5°
C18C17C22H22179.3°179.7°
C22C17C18C190.1°0.3°
C22C17C18H18179.9°179.8°
C17C22C21C201.2°0.5°
C17C22C21H22180.0°179.7°
C17C22C21C23176.7°179.7°
C18C19C20H19180.0°180.0°
C18C19C20C210.1°0.1°
C18C19C20H20179.9°179.9°
H18C18C19C20179.6°180.0°
H18C18C19H190.4°0.0°
C19C20C21H20180.0°179.9°
C19C20C21C220.9°0.3°
C19C20C21C23176.9°180.0°
H19C19C20C21179.9°179.9°
H19C19C20H200.1°0.1°
C20C21C22C23177.9°179.7°
C20C21C22H22178.8°179.7°
C20C21C23O2564.9°180.0°
C20C21C23O24115.4°0.1°
H20C20C21C22179.1°179.8°
H20C20C21C233.1°0.1°
C22C21C23O25117.2°0.3°
C22C21C23O2462.5°179.8°
C23C21C22H223.3°0.0°
C21C23O25O24179.7°179.9°
C21C23O24HO24179.7°180.0°
O25C23O24HO240.0°0.0°
C26C27C28H27180.0°179.9°
C26C27C28C29177.1°179.7°
H26C26C27C28179.9°180.0°
H26C26C27H270.1°0.1°
C27C28C29H290.3°0.1°
H27C27C28C292.9°0.3°
C30C31C33CL32179.5°179.9°
C30C31C33C340.7°0.1°
C30C31C33H33179.4°180.0°
C31C30C36C352.4°0.6°
C31C30C36CL37176.5°179.7°
C36C30C31C332.2°0.3°
C36C30C31CL32178.3°179.7°
C30C36C35C341.0°0.6°
C30C36C35CL37178.9°179.7°
C30C36C35H35178.9°179.7°
C31C33C34H33180.0°180.0°
C31C33C34C350.6°0.1°
C31C33C34H34179.3°179.9°
CL32C31C33C34179.8°180.0°
CL32C31C33H330.1°0.0°
C33C34C35H34180.0°179.9°
C33C34C35C360.5°0.3°
C33C34C35H35179.5°180.0°
H33C33C34C35179.3°180.0°
H33C33C34H340.7°0.1°
C34C35C36H35180.0°179.7°
C34C35C36CL37177.9°179.7°
H34C34C35C36179.5°179.8°
H34C34C35H350.5°0.1°
H35C35C36CL372.1°0.0°

223790

PDB entries from 2024-08-14

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