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TJG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C03C02sing1.53Å1.52Å
C02C01sing1.53Å1.52Å
C02O04sing1.43Å1.44Å
C02C05sing1.53Å1.55Å
C07C05sing1.53Å1.54Å
C07C08sing1.53Å1.53Å
C12C05sing1.53Å1.53Å
C12C11sing1.53Å1.52Å
O15C14doub1.22Å1.23Å
C08C09sing1.53Å1.52Å
C09C11sing1.53Å1.52Å
C09N13sing1.46Å1.47Å
C14N13sing1.35Å1.34Å
C14C16sing1.48Å1.50Å
C17C16doub1.40Å1.39ÅAromatic
C17N18sing1.31Å1.32ÅAromatic
C16C25sing1.39Å1.37ÅAromatic
N18C19doub1.34Å1.37ÅAromatic
C25C24doub1.40Å1.41ÅAromatic
C19C24sing1.42Å1.41ÅAromatic
C19N20sing1.34Å1.36ÅAromatic
C24C23sing1.41Å1.41ÅAromatic
N20C21doub1.31Å1.33ÅAromatic
C23C22doub1.37Å1.36ÅAromatic
C21C22sing1.39Å1.39ÅAromatic
C21C26sing1.51Å1.51Å
C28C26sing1.53Å1.50Å
C28C27sing1.53Å1.49Å
C26C27sing1.53Å1.50Å
C17H1sing1.08Å1.08Å
C22H2sing1.08Å1.08Å
C26H3sing1.09Å1.10Å
C28H4sing1.09Å1.10Å
C28H5sing1.09Å1.10Å
C01H6sing1.09Å1.10Å
C01H7sing1.09Å1.10Å
C01H8sing1.09Å1.10Å
C03H9sing1.09Å1.10Å
C03H10sing1.09Å1.10Å
C03H11sing1.09Å1.10Å
O04H12sing0.97Å0.95Å
C05H13sing1.09Å1.10Å
C07H14sing1.09Å1.10Å
C07H15sing1.09Å1.10Å
C08H16sing1.09Å1.10Å
C08H17sing1.09Å1.10Å
C09H18sing1.09Å1.10Å
C11H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C12H21sing1.09Å1.10Å
C12H22sing1.09Å1.10Å
N13H23sing0.97Å1.00Å
C23H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C27H26sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C03C02C01110.5°109.5°
C03C02O04107.4°109.4°
C03C02C05112.5°109.5°
C02C03H9109.5°109.5°
C02C03H10109.4°109.5°
C02C03H11109.4°109.5°
C01C02O04106.4°109.5°
C01C02C05112.6°109.5°
C02C01H6109.5°109.5°
C02C01H7109.4°109.5°
C02C01H8109.5°109.4°
O04C02C05107.0°109.5°
C02O04H12109.5°114.0°
C02C05C07114.3°109.5°
C02C05C12113.6°109.5°
C02C05H13106.6°109.4°
C05C07C08111.8°109.4°
C07C05C12108.4°109.5°
C07C05H13106.7°109.5°
C05C07H14108.9°109.5°
C05C07H15108.9°109.5°
C07C08C09112.0°109.5°
C08C07H14108.9°109.5°
C08C07H15108.9°109.5°
C07C08H16108.8°109.5°
C07C08H17108.8°109.4°
C05C12C11111.3°109.5°
C12C05H13106.8°109.5°
C05C12H21109.0°109.4°
C05C12H22109.0°109.4°
C12C11C09111.5°109.5°
C12C11H19109.0°109.4°
C12C11H20109.0°109.4°
C11C12H21109.0°109.5°
C11C12H22109.0°109.5°
O15C14N13121.9°120.0°
O15C14C16120.3°120.0°
C08C09C11110.9°109.5°
C08C09N13111.0°109.5°
C09C08H16108.9°109.5°
C09C08H17108.9°109.5°
C08C09H18108.0°109.5°
C11C09N13110.1°109.4°
C11C09H18108.0°109.5°
C09C11H19109.0°109.5°
C09C11H20109.0°109.5°
C09N13C14122.6°120.1°
N13C09H18108.7°109.5°
C09N13H23118.7°120.0°
N13C14C16117.8°120.0°
C14N13H23118.7°120.0°
C14C16C17118.0°120.3°
C14C16C25125.0°120.3°
C16C17N18126.1°121.6°
C17C16C25117.0°119.4°
C16C17H1116.9°119.2°
C17N18C19117.0°121.8°
N18C17H1117.0°119.2°
C16C25C24119.9°117.9°
C16C25H25120.1°121.1°
N18C19C24122.0°119.9°
N18C19N20115.8°120.6°
C25C24C19117.9°119.4°
C25C24C23124.5°121.3°
C24C25H25120.0°121.0°
C24C19N20122.2°119.5°
C19C24C23117.5°119.2°
C19N20C21118.0°121.5°
C24C23C22119.7°118.2°
C24C23H24120.2°120.9°
N20C21C22123.3°121.8°
N20C21C26116.5°119.1°
C23C22C21119.3°119.8°
C23C22H2120.3°120.2°
C22C23H24120.2°120.9°
C22C21C26120.2°119.1°
C21C22H2120.3°120.0°
C21C26C28121.0°117.5°
C21C26C27120.5°117.5°
C21C26H3114.9°115.6°
C26C28C2760.3°60.0°
C28C26C2759.2°60.0°
C28C26H3115.0°117.5°
C26C28H4119.9°117.5°
C26C28H5119.9°117.5°
C28C27C2660.5°60.0°
C27C28H4119.9°117.5°
C27C28H5119.9°117.5°
C28C27H26119.9°117.5°
C28C27H27119.9°117.5°
C27C26H3115.0°117.5°
C26C27H26119.9°117.5°
C26C27H27119.9°117.5°
H4C28H5109.5°115.6°
H6C01H7109.5°109.5°
H6C01H8109.4°109.5°
H7C01H8109.5°109.5°
H9C03H10109.5°109.5°
H9C03H11109.5°109.4°
H10C03H11109.5°109.5°
H14C07H15109.4°109.5°
H16C08H17109.5°109.4°
H19C11H20109.4°109.5°
H21C12H22109.5°109.5°
H26C27H27109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C03C02C01O04116.3°120.0°
C03C02C01C05126.8°120.0°
C03C02O04C05121.1°120.0°
C03C02C05C0767.8°60.0°
C03C02C05C1257.4°NaN°
C03C02C01H6180.0°60.0°
C03C02C01H760.0°60.0°
C03C02C01H860.0°180.0°
C02C03H9H10120.0°120.1°
C02C03H9H11120.0°120.0°
C02C03H10H11120.0°120.0°
C03C02O04H12180.0°180.0°
C03C02C05H13174.7°60.0°
C01C02O04C05120.5°120.0°
C01C02C05C0757.9°180.0°
C01C02C05C12176.9°60.0°
C02C01H6H7120.0°120.0°
C02C01H6H8120.0°119.9°
C02C01H7H8120.0°119.9°
C01C02C03H9180.0°60.0°
C01C02C03H1060.0°180.0°
C01C02C03H1160.0°60.0°
C01C02O04H1261.6°60.1°
C01C02C05H1359.6°60.0°
O04C02C05C07174.4°60.0°
O04C02C05C1260.4°60.0°
O04C02C01H663.7°59.9°
O04C02C01H756.3°180.0°
O04C02C01H8176.3°60.0°
O04C02C03H964.4°60.0°
O04C02C03H10175.6°60.0°
O04C02C03H1155.7°180.0°
O04C02C05H1356.9°180.0°
C02C05C07C12127.9°120.0°
C02C05C07H13117.5°119.9°
C02C05C07C08175.4°180.0°
C02C05C12H13117.2°119.9°
C02C05C12C11173.4°180.0°
C05C02C01H653.2°179.9°
C05C02C01H7173.2°60.0°
C05C02C01H866.8°60.0°
C05C02C03H953.2°180.0°
C05C02C03H1066.8°60.0°
C05C02C03H11173.2°60.1°
C05C02O04H1258.9°60.0°
C02C05C07H1455.0°59.9°
C02C05C07H1564.3°60.0°
C02C05C12H2166.4°60.0°
C02C05C12H2253.1°60.0°
C05C07C08H14120.4°120.0°
C05C07C08H15120.4°120.0°
C07C05C12H13114.6°120.0°
C07C05C12C1158.4°60.0°
C05C07C08C0955.1°60.0°
C05C07H14H15118.9°120.0°
C05C07C08H1665.3°60.1°
C05C07C08H17175.5°180.0°
C07C05C12H2161.9°60.0°
C07C05C12H22178.7°180.0°
C08C07C05C1256.8°60.0°
C07C08C09H16120.4°120.1°
C07C08C09H17120.4°120.0°
C07C08C09C1152.9°60.0°
C07C08C09N13175.7°180.0°
C08C07C05H1357.9°60.1°
C08C07H14H15118.9°120.1°
C07C08H16H17118.8°120.0°
C07C08C09H1865.3°59.9°
C05C12C11H21120.3°120.0°
C05C12C11H22120.3°120.0°
C05C12C11C0958.5°60.0°
C12C05C07H14177.1°180.0°
C12C05C07H1563.6°60.0°
C05C12C11H19178.8°60.0°
C05C12C11H2061.8°180.0°
C05C12H21H22119.2°119.9°
C12C11C09C0854.6°60.0°
C12C11C09H19120.3°119.9°
C12C11C09H20120.3°120.0°
C12C11C09N13177.9°180.0°
C11C12C05H1356.2°60.1°
C12C11C09H1863.6°60.0°
C12C11H19H20119.1°119.9°
C11C12H21H22119.2°120.0°
O15C14N13C091.2°0.0°
O15C14N13C16178.9°179.9°
O15C14C16C1745.8°180.0°
O15C14C16C25132.2°0.1°
O15C14N13H23178.8°180.0°
C08C09C11N13123.3°120.0°
C08C09C11H18118.2°120.0°
C08C09N13H18118.6°120.0°
C08C09N13C14129.6°155.0°
C09C08C07H14175.5°180.0°
C09C08C07H1565.3°60.0°
C09C08H16H17118.9°120.0°
C08C09C11H19174.9°60.0°
C08C09C11H2065.7°180.0°
C08C09N13H2350.4°25.0°
C11C09N13H18118.2°120.0°
C11C09N13C14107.2°85.0°
C11C09C08H1667.4°60.0°
C11C09C08H17173.3°180.0°
C09C11H19H20119.1°120.1°
C09C11C12H2161.8°60.0°
C09C11C12H22178.8°180.0°
C11C09N13H2372.8°95.0°
C09N13C14H23180.0°180.0°
C09N13C14C16179.9°180.0°
N13C09C08H1655.3°59.9°
N13C09C08H1763.9°60.0°
N13C09C11H1961.8°60.1°
N13C09C11H2057.6°60.0°
N13C14C16C17133.2°0.0°
N13C14C16C2548.8°180.0°
C14N13C09H1811.0°35.0°
C14C16C17C25178.2°179.9°
C14C16C17N18179.2°179.9°
C14C16C25C24178.8°180.0°
C14C16C17H10.8°0.2°
C16C14N13H230.1°0.0°
C14C16C25H251.2°0.0°
C16C17N18H1180.0°179.7°
C16C17N18C190.6°0.0°
C17C16C25C240.7°0.0°
C17C16C25H25179.2°180.0°
N18C17C16C251.0°0.0°
C17N18C19C240.0°0.0°
C17N18C19N20180.0°179.9°
C16C25C24H25180.0°180.0°
C16C25C24C190.2°0.0°
C16C25C24C23179.5°180.0°
C25C16C17H1179.0°179.7°
N18C19C24C250.1°0.0°
N18C19C24N20179.9°179.9°
N18C19C24C23179.9°180.0°
N18C19N20C21179.8°180.0°
C19N18C17H1179.4°179.7°
C25C24C19C23179.8°180.0°
C25C24C19N20179.8°180.0°
C25C24C23C22180.0°180.0°
C25C24C23H240.1°0.0°
C24C19N20C210.3°0.1°
C19C24C23C220.3°0.1°
C19C24C23H24179.7°180.0°
C19C24C25H25179.7°180.0°
N20C19C24C230.0°0.1°
C19N20C21C220.3°0.0°
C19N20C21C26179.9°179.9°
C24C23C22H24180.0°179.9°
C24C23C22C210.3°0.0°
C24C23C22H2179.7°180.0°
C23C24C25H250.5°0.0°
N20C21C22C230.0°0.0°
N20C21C22C26179.5°179.9°
N20C21C26C282.9°163.6°
N20C21C26C2767.3°95.0°
N20C21C22H2179.9°180.0°
N20C21C26H3148.2°50.6°
C23C22C21H2180.0°180.0°
C23C22C21C26179.6°179.9°
C22C21C26C28177.5°16.4°
C22C21C26C27112.3°85.0°
C22C21C26H332.2°129.3°
C21C22C23H24179.7°180.0°
C21C26C28C27109.3°107.5°
C21C26C28H3145.3°145.1°
C21C26C27H3144.5°145.0°
C26C21C22H20.4°0.0°
C21C26C28H40.2°0.0°
C21C26C28H5141.1°145.1°
C21C26C27H260.6°145.0°
C21C26C27H27140.3°0.0°
C26C28C27H4109.5°107.5°
C26C28C27H5109.6°107.5°
C28C26C27H3105.4°107.5°
C26C28H4H5144.5°145.7°
C26C28C27H26109.6°107.5°
C26C28C27H27109.6°107.5°
C27C28H4H5144.6°145.7°
C28C27H26H27144.5°145.6°
C26C27H26H27144.5°145.7°
H2C22C23H240.3°0.0°
H3C26C28H4145.1°145.0°
H3C26C28H54.2°0.0°
H3C26C27H26145.1°0.0°
H3C26C27H274.2°145.0°
H4C28C27H260.0°145.0°
H4C28C27H27140.8°0.1°
H5C28C27H26140.9°0.0°
H5C28C27H270.1°145.0°
H6C01H7H8120.0°120.0°
H9C03H10H11120.0°119.9°
H13C05C07H1462.5°60.0°
H13C05C07H15178.2°179.9°
H13C05C12H21176.5°180.0°
H13C05C12H2264.1°60.0°
H14C07C08H1655.1°59.9°
H14C07C08H1764.1°60.0°
H15C07C08H16174.4°180.0°
H15C07C08H1755.1°60.0°
H16C08C09H18174.4°180.0°
H17C08C09H1855.1°60.0°
H18C09C11H1956.7°179.9°
H18C09C11H20176.1°60.0°
H18C09N13H23169.0°145.0°
H19C11C12H2158.6°180.0°
H19C11C12H2260.9°60.0°
H20C11C12H21177.9°60.0°
H20C11C12H2258.5°60.0°

222415

PDB entries from 2024-07-10

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