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OTM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.38ÅAromatic
C1C6doub1.38Å1.38ÅAromatic
C2C3doub1.38Å1.38ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C4C5doub1.38Å1.38ÅAromatic
C4C7sing1.51Å1.50Å
C5C6sing1.38Å1.38ÅAromatic
C7C8sing1.53Å1.52Å
C8C9sing1.51Å1.52Å
C8N23sing1.46Å1.46Å
C9O10doub1.21Å1.23Å
C9N11sing1.35Å1.38Å
N11C12sing1.40Å1.42Å
C12C13sing1.39Å1.38ÅAromatic
C12C17doub1.39Å1.38ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
C14C15sing1.40Å1.38ÅAromatic
C15C16doub1.40Å1.38ÅAromatic
C15C18sing1.48Å1.44Å
C16C17sing1.38Å1.38ÅAromatic
C18N19sing1.36Å1.36ÅAromatic
C18N22doub1.32Å1.32ÅAromatic
N19N20sing1.41Å1.34ÅAromatic
N20N21doub1.29Å1.33ÅAromatic
N21N22sing1.28Å1.36ÅAromatic
N23C24sing1.35Å1.37Å
C24O25doub1.22Å1.22Å
C24C26sing1.46Å1.49Å
C26C27doub1.35Å1.34Å
C27C28sing1.47Å1.48Å
C28C29sing1.40Å1.39ÅAromatic
C28C33doub1.40Å1.39ÅAromatic
C29C30doub1.38Å1.39ÅAromatic
C30C31sing1.39Å1.38ÅAromatic
C30CLsing1.74Å1.74Å
C31C32doub1.38Å1.38ÅAromatic
C32C33sing1.39Å1.38ÅAromatic
C33N34sing1.40Å1.40Å
N34C35sing1.35Å1.36ÅAromatic
N34N38sing1.41Å1.34ÅAromatic
C35N36doub1.31Å1.31ÅAromatic
N36N37sing1.28Å1.37ÅAromatic
N37N38doub1.29Å1.33ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
C8H8sing1.09Å1.10Å
N23H23sing0.97Å1.00Å
N11H11sing0.97Å1.00Å
C13H13sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
N19H19sing0.97Å1.00Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C29H29sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6119.6°120.0°
C1C2C3120.1°120.0°
C2C1H1120.2°120.0°
C1C2H2120.0°120.0°
C1C6C5119.9°120.0°
C6C1H1120.2°120.0°
C1C6H6120.0°120.0°
C2C3C4120.8°120.0°
C3C2H2120.0°120.0°
C2C3H3119.6°120.0°
C3C4C5118.7°120.0°
C3C4C7118.8°120.0°
C4C3H3119.6°120.0°
C5C4C7122.5°120.0°
C4C5C6120.9°120.0°
C4C5H5119.5°120.0°
C4C7C8113.9°109.5°
C4C7H71C108.3°109.5°
C4C7H72C108.3°109.5°
C5C6H6120.0°120.0°
C6C5H5119.5°120.0°
C7C8C9108.1°109.5°
C7C8N23110.1°109.5°
C8C7H71C108.3°109.4°
C8C7H72C108.3°109.4°
C7C8H8109.7°109.5°
C9C8N23108.7°109.5°
C8C9O10123.7°120.0°
C8C9N11111.0°120.0°
C9C8H8109.7°109.4°
C8N23C24117.8°120.0°
N23C8H8110.5°109.5°
C8N23H23121.1°120.1°
O10C9N11125.2°120.1°
C9N11C12127.3°119.9°
C9N11H11116.3°120.1°
N11C12C13117.9°119.9°
N11C12C17123.1°120.0°
C12N11H11116.3°120.0°
C13C12C17119.1°120.1°
C12C13C14121.2°120.1°
C12C13H13119.4°120.0°
C12C17C16119.8°120.1°
C12C17H17120.1°120.0°
C13C14C15119.7°120.0°
C14C13H13119.4°119.9°
C13C14H14120.1°120.0°
C14C15C16119.1°119.8°
C14C15C18121.0°120.1°
C15C14H14120.1°120.0°
C16C15C18119.9°120.1°
C15C16C17121.1°119.9°
C15C16H16119.5°120.0°
C15C18N19124.6°126.5°
C15C18N22127.5°126.5°
C16C17H17120.1°119.9°
C17C16H16119.4°120.0°
N19C18N22107.8°107.1°
C18N19N20109.7°105.2°
C18N19H19125.2°127.5°
C18N22N21106.4°110.5°
N19N20N21105.3°106.8°
N20N19H19125.1°127.3°
N20N21N22110.8°110.4°
N23C24O25122.1°120.0°
N23C24C26119.3°120.0°
C24N23H23121.1°120.0°
O25C24C26118.6°120.0°
C24C26C27123.1°120.0°
C24C26H26118.5°120.0°
C26C27C28118.0°120.0°
C27C26H26118.5°120.0°
C26C27H27121.0°120.0°
C27C28C29120.4°120.2°
C27C28C33122.6°120.2°
C28C27H27121.0°120.1°
C29C28C33117.0°119.6°
C28C29C30121.8°119.9°
C28C29H29119.1°120.0°
C28C33C32122.0°119.7°
C28C33N34120.7°120.2°
C29C30C31119.7°120.3°
C29C30CL120.7°119.8°
C30C29H29119.1°120.1°
C31C30CL119.5°119.9°
C30C31C32119.5°120.5°
C30C31H31120.3°119.8°
C31C32C33119.9°120.1°
C32C31H31120.3°119.7°
C31C32H32120.0°120.0°
C32C33N34117.3°120.1°
C33C32H32120.1°119.9°
C33N34C35127.8°127.4°
C33N34N38123.3°127.4°
C35N34N38108.9°105.2°
N34C35N36108.6°107.3°
N34C35H35125.7°126.3°
N34N38N37106.0°106.7°
C35N36N37106.1°110.6°
N36C35H35125.7°126.4°
N36N37N38110.4°110.3°
H71CC7H72C109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.7°
C1C2C3H2180.0°179.9°
C1C2C3C40.3°0.1°
C2C1C6C50.3°0.0°
C2C1C6H6179.7°179.9°
C1C2C3H3179.7°180.0°
C6C1C2C30.4°0.0°
C1C6C5C40.1°0.1°
C1C6C5H6180.0°179.9°
C6C1C2H2179.6°180.0°
C1C6C5H5179.9°180.0°
C2C3C4H3180.0°180.0°
C2C3C4C50.1°0.0°
C2C3C4C7179.6°180.0°
C3C2C1H1179.6°179.7°
C3C4C5C7179.5°179.9°
C3C4C5C60.0°0.0°
C3C4C7C8140.9°90.0°
C4C3C2H2179.7°180.0°
C3C4C5H5180.0°180.0°
C3C4C7H71C20.2°150.0°
C3C4C7H72C98.5°30.0°
C4C5C6H5180.0°180.0°
C5C4C7C839.6°90.1°
C4C5C6H6179.9°180.0°
C5C4C3H3179.9°180.0°
C5C4C7H71C160.3°29.9°
C5C4C7H72C81.0°150.0°
C7C4C5C6179.4°179.9°
C4C7C8H71C120.6°120.1°
C4C7C8H72C120.7°120.0°
C4C7C8C969.1°175.0°
C4C7C8N23172.3°65.0°
C7C4C3H30.4°0.1°
C7C4C5H50.5°0.1°
C4C7H71CH72C117.9°120.0°
C4C7C8H850.5°55.0°
C5C6C1H1179.7°179.7°
C7C8C9N23119.5°120.0°
C7C8C9H8119.6°120.0°
C7C8N23H8121.3°120.0°
C7C8C9O1066.4°120.0°
C7C8C9N11112.2°60.0°
C7C8N23C24158.9°85.0°
C8C7H71CH72C118.0°119.9°
C7C8N23H2321.1°95.0°
C9C8N23H8120.4°119.9°
C8C9O10N11178.3°180.0°
C8C9N11C12177.4°174.8°
C9C8N23C2482.8°155.0°
C9C8C7H71C51.5°54.9°
C9C8C7H72C170.2°65.0°
C9C8N23H2397.2°25.0°
C8C9N11H112.6°5.1°
N23C8C9O1053.1°0.0°
N23C8C9N11128.3°180.0°
C8N23C24H23180.0°180.0°
C8N23C24O252.4°0.0°
C8N23C24C26176.2°180.0°
N23C8C7H71C67.1°174.9°
N23C8C7H72C51.6°55.0°
O10C9N11C124.1°5.2°
O10C9C8H8174.1°120.0°
O10C9N11H11175.9°174.9°
C9N11C12H11180.0°180.0°
C9N11C12C13178.0°146.1°
C9N11C12C171.6°34.2°
N11C9C8H87.4°60.0°
N11C12C13C17179.6°179.7°
N11C12C13C14179.8°180.0°
N11C12C17C16179.3°179.8°
N11C12C13H130.2°0.1°
N11C12C17H170.6°0.0°
C12C13C14H13180.0°179.9°
C12C13C14C150.0°0.1°
C13C12C17C161.1°0.5°
C13C12N11H112.1°33.9°
C13C12C17H17178.9°179.6°
C12C13C14H14180.0°179.9°
C17C12C13C140.6°0.4°
C12C17C16C150.8°0.5°
C12C17C16H17180.0°179.8°
C17C12N11H11178.3°145.7°
C17C12C13H13179.4°179.8°
C12C17C16H16179.2°179.7°
C13C14C15H14180.0°180.0°
C13C14C15C160.3°0.1°
C13C14C15C18177.5°180.0°
C14C15C16C18177.8°179.9°
C14C15C16C170.2°0.3°
C14C15C18N1923.7°180.0°
C14C15C18N22154.7°0.3°
C15C14C13H13179.9°180.0°
C14C15C16H16179.9°180.0°
C15C16C17H16180.0°179.8°
C16C15C18N19158.5°0.1°
C16C15C18N2223.1°179.6°
C15C16C17H17179.2°179.7°
C16C15C14H14179.7°180.0°
C18C15C16C17178.0°179.8°
C15C18N19N22178.7°179.8°
C15C18N19N20179.3°180.0°
C15C18N22N21179.0°179.8°
C18C15C14H142.5°0.1°
C18C15C16H162.0°0.1°
C15C18N19H190.8°0.1°
C18N19N20H19180.0°180.0°
C18N19N20N210.6°0.0°
N19C18N22N210.3°0.5°
N22C18N19N200.6°0.3°
C18N22N21N200.0°0.5°
N22C18N19H19179.5°179.7°
N19N20N21N220.4°0.3°
N21N20N19H19179.4°180.0°
N23C24O25C26178.6°180.0°
N23C24C26C277.6°180.0°
C24N23C8H837.6°35.0°
N23C24C26H26172.4°0.0°
O25C24C26C27173.8°0.0°
O25C24N23H23177.6°180.0°
O25C24C26H266.2°180.0°
C24C26C27H26180.0°180.0°
C24C26C27C28179.9°180.0°
C26C24N23H233.8°0.0°
C24C26C27H270.1°0.1°
C26C27C28H27180.0°179.9°
C26C27C28C2960.0°13.6°
C26C27C28C33120.3°166.6°
C27C28C29C33179.7°179.7°
C27C28C29C30179.9°180.0°
C27C28C33C32179.8°179.7°
C27C28C33N340.0°0.1°
C28C27C26H260.1°0.0°
C27C28C29H290.1°0.1°
C28C29C30H29180.0°179.9°
C28C29C30C310.0°0.0°
C28C29C30CL179.9°180.0°
C29C28C33C320.2°0.6°
C29C28C33N34179.7°179.7°
C29C28C27H27120.0°166.3°
C33C28C29C300.2°0.3°
C28C33C32C310.2°0.6°
C28C33C32N34179.9°179.7°
C28C33N34C35120.6°129.6°
C28C33N34N3856.9°50.7°
C33C28C27H2759.7°13.5°
C33C28C29H29179.8°179.8°
C28C33C32H32179.8°179.7°
C29C30C31CL179.8°180.0°
C29C30C31C320.3°0.0°
C29C30C31H31179.7°180.0°
C30C31C32H31180.0°180.0°
C30C31C32C330.4°0.3°
C31C30C29H29180.0°179.9°
C30C31C32H32179.6°180.0°
CLC30C31C32179.5°180.0°
CLC30C29H290.2°0.1°
CLC30C31H310.5°0.0°
C31C32C33H32180.0°179.7°
C31C32C33N34180.0°179.7°
C32C33N34C3559.2°50.2°
C32C33N34N38123.2°129.6°
C33C32C31H31179.6°179.7°
C33N34C35N38177.8°179.8°
C33N34C35N36178.0°179.9°
C33N34N38N37178.1°179.8°
N34C33C32H320.0°0.1°
C33N34C35H352.0°0.0°
N34C35N36H35180.0°179.9°
N34C35N36N370.1°0.0°
C35N34N38N370.2°0.4°
N38N34C35N360.2°0.3°
N34N38N37N360.1°0.4°
N38N34C35H35179.8°179.8°
C35N36N37N380.0°0.3°
N37N36C35H35179.9°179.9°
H1C1C2H20.4°0.3°
H1C1C6H60.3°0.2°
H2C2C3H30.3°0.0°
H6C6C5H50.1°0.1°
H71CC7C8H8171.1°65.0°
H72CC7C8H870.2°175.0°
H8C8N23H23142.4°145.0°
H13C13C14H140.1°0.0°
H17C17C16H160.8°0.1°
H26C26C27H27179.9°179.9°
H31C31C32H320.4°0.0°

220113

PDB entries from 2024-05-22

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