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HJM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20Osing1.43Å1.43Å
OC18sing1.36Å1.41Å
C18C16doub1.39Å1.37ÅAromatic
C18C19sing1.39Å1.40ÅAromatic
C16C13sing1.40Å1.41ÅAromatic
C19C17doub1.38Å1.43ÅAromatic
C12C9sing1.51Å1.58Å
C12C11sing1.52Å1.50Å
C13C11sing1.47Å1.41ÅAromatic
C13C15doub1.41Å1.45ÅAromatic
C9N1sing1.44Å1.48Å
C17C15sing1.39Å1.36ÅAromatic
C11C8doub1.32Å1.43ÅAromatic
C15N2sing1.36Å1.37ÅAromatic
N1C7sing1.47Å1.46Å
N1C1sing1.44Å1.49Å
C8N2sing1.40Å1.41ÅAromatic
C8C2sing1.50Å1.53Å
C7C3sing1.53Å1.53Å
C1C2sing1.51Å1.53Å
C1C4sing1.54Å1.56Å
C2C5sing1.54Å1.56Å
C5C3sing1.53Å1.53Å
C3C6sing1.53Å1.51Å
C10C4sing1.53Å1.57Å
C10C14sing1.53Å1.55Å
C4C6sing1.53Å1.56Å
C1H2sing1.09Å1.10Å
N2H3sing0.97Å1.00Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C16H13sing1.08Å1.08Å
C17H14sing1.08Å1.08Å
C19H15sing1.08Å1.08Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C4H19sing1.09Å1.10Å
C5H20sing1.09Å1.10Å
C5H21sing1.09Å1.10Å
C6H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
C7H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C9H26sing1.09Å1.10Å
C9H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20OC18115.7°117.0°
OC20H16109.5°109.5°
OC20H17109.5°109.4°
OC20H18109.5°109.4°
OC18C16116.5°119.1°
OC18C19124.8°119.1°
C16C18C19118.4°121.7°
C18C16C13119.4°116.4°
C18C16H13120.3°121.8°
C18C19C17124.4°122.4°
C18C19H15117.8°118.8°
C16C13C11129.4°131.8°
C16C13C15121.2°121.8°
C13C16H13120.3°121.7°
C19C17C15116.6°116.9°
C19C17H14121.7°121.5°
C17C19H15117.8°118.8°
C9C12C11117.0°110.2°
C12C9N1117.3°113.7°
C9C12H8107.6°109.4°
C9C12H9107.6°109.4°
C12C9H26107.5°108.6°
C12C9H27107.5°108.6°
C12C11C13127.3°121.1°
C12C11C8127.2°131.5°
C11C12H8107.6°109.3°
C11C12H9107.6°109.4°
C11C13C15109.2°106.4°
C13C11C8105.4°107.4°
C13C15C17120.0°120.7°
C13C15N2106.4°106.6°
C9N1C7116.2°115.0°
C9N1C1119.6°115.8°
N1C9H26107.5°108.7°
N1C9H27107.5°108.7°
C17C15N2133.6°132.7°
C15C17H14121.7°121.6°
C11C8N2108.7°109.2°
C11C8C2129.7°132.2°
C15N2C8109.7°110.4°
C15N2H3125.1°124.8°
C7N1C1107.2°111.7°
N1C7C3115.7°108.7°
N1C7H24107.9°109.6°
N1C7H25107.9°109.6°
N1C1C2111.6°112.2°
N1C1C4107.9°108.7°
N1C1H2111.0°109.0°
N2C8C2121.5°118.5°
C8N2H3125.1°124.8°
C8C2C1110.4°115.1°
C8C2C5115.1°107.2°
C8C2H4106.4°108.3°
C7C3C5108.7°108.7°
C7C3C6109.9°109.9°
C7C3H5109.9°110.3°
C3C7H24107.9°109.6°
C3C7H25107.9°109.6°
C2C1C4105.8°109.5°
C1C2C5112.1°108.6°
C2C1H2110.4°109.0°
C1C2H4106.3°108.8°
C1C4C10107.6°109.7°
C1C4C6110.7°107.9°
C4C1H2110.0°108.4°
C1C4H19106.9°109.8°
C2C5C3106.2°108.3°
C5C2H4106.0°108.8°
C2C5H20110.3°109.7°
C2C5H21110.3°109.7°
C5C3C6107.9°108.6°
C5C3H5110.0°109.6°
C3C5H20110.3°109.7°
C3C5H21110.3°109.7°
C3C6C4106.8°109.0°
C6C3H5110.4°109.7°
C3C6H22110.1°109.5°
C3C6H23110.1°109.6°
C4C10C14118.1°109.5°
C10C4C6117.5°109.8°
C4C10H6107.3°109.5°
C4C10H7107.2°109.5°
C10C4H19106.7°109.8°
C14C10H6107.3°109.5°
C14C10H7107.3°109.4°
C10C14H10109.5°109.5°
C10C14H11109.5°109.4°
C10C14H12109.5°109.5°
C6C4H19106.8°109.8°
C4C6H22110.1°109.5°
C4C6H23110.1°109.6°
H6C10H7109.5°109.4°
H8C12H9109.5°109.2°
H10C14H11109.4°109.5°
H10C14H12109.5°109.5°
H11C14H12109.5°109.5°
H16C20H17109.4°109.5°
H16C20H18109.5°109.5°
H17C20H18109.5°109.5°
H20C5H21109.4°109.7°
H22C6H23109.5°109.6°
H24C7H25109.5°109.7°
H26C9H27109.5°108.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20OC18C16176.9°180.0°
C20OC18C193.6°0.0°
OC20H16H17120.0°120.0°
OC20H16H18120.0°120.0°
OC20H17H18120.0°119.9°
OC18C16C19173.8°180.0°
OC18C16C13176.6°180.0°
OC18C19C17175.9°179.9°
OC18C16H133.4°0.0°
OC18C19H154.1°0.1°
C18OC20H16180.0°180.0°
C18OC20H1760.0°60.0°
C18OC20H1860.0°60.0°
C18C16C13H13180.0°180.0°
C16C18C19C172.6°0.0°
C18C16C13C11176.8°179.7°
C18C16C13C153.0°0.1°
C16C18C19H15177.3°180.0°
C19C18C16C132.8°0.0°
C18C19C17H15180.0°180.0°
C18C19C17C152.5°0.1°
C19C18C16H13177.2°180.0°
C18C19C17H14177.6°180.0°
C16C13C11C1212.2°1.0°
C16C13C11C15174.4°179.8°
C16C13C15C172.8°0.1°
C16C13C11C8171.6°179.5°
C16C13C15N2176.7°180.0°
C19C17C15C132.4°0.0°
C19C17C15H14180.0°179.9°
C19C17C15N2176.9°179.9°
C9C12C11H8121.1°120.2°
C9C12C11H9121.1°120.3°
C9C12C11C13143.5°144.2°
C12C9N1H26121.1°121.1°
C12C9N1H27121.1°121.1°
C9C12C11C832.0°35.2°
C12C9N1C7139.0°42.5°
C12C9N1C17.8°90.3°
C9C12H8H9116.6°119.7°
C12C9H26H27116.5°117.9°
C12C11C13C8176.3°179.5°
C12C11C13C15173.4°178.8°
C11C12C9N159.8°65.2°
C12C11C8N2169.9°178.5°
C12C11C8C28.5°3.0°
C11C12H8H9116.6°119.6°
C11C12C9H26179.1°173.7°
C11C12C9H2761.3°55.9°
C11C13C15C17177.8°179.8°
C11C13C15N21.7°0.2°
C13C11C8N26.4°0.9°
C13C11C8C2175.2°177.6°
C13C11C12H822.4°24.0°
C13C11C12H995.5°95.5°
C11C13C16H133.2°0.3°
C13C15C17N2179.4°180.0°
C15C13C11C82.8°0.7°
C13C15N2C85.8°0.4°
C13C15N2H3174.2°179.6°
C15C13C16H13177.0°179.9°
C13C15C17H14177.6°179.9°
C9N1C7C1136.8°134.7°
C9N1C7C3128.5°146.4°
C9N1C1C273.4°81.8°
C9N1C1C4170.9°157.0°
C9N1C1H250.2°39.0°
N1C9C12H8179.1°174.6°
N1C9C12H961.3°55.0°
C9N1C7H24110.6°93.9°
C9N1C7H257.6°26.6°
N1C9H26H27116.4°118.0°
C17C15N2C8173.7°179.6°
C17C15N2H36.3°0.3°
C15C17C19H15177.5°179.9°
C11C8N2C157.8°0.9°
C11C8N2C2178.6°178.8°
C11C8C2C116.3°36.9°
C11C8C2C5111.8°83.9°
C11C8N2H3172.2°179.2°
C11C8C2H4131.2°158.9°
C8C11C12H8153.1°155.4°
C8C11C12H989.0°85.1°
C15N2C8H3180.0°180.0°
C15N2C8C2173.6°177.9°
N2C15C17H143.0°0.0°
N1C7C3H24120.9°119.8°
N1C7C3H25120.9°119.7°
C7N1C1C261.7°52.6°
C7N1C1C454.1°68.7°
N1C7C3C554.0°66.3°
N1C7C3C663.8°52.4°
C7N1C1H2174.7°173.3°
N1C7C3H5174.5°173.5°
N1C7H24H25117.2°120.4°
C7N1C9H2699.9°78.5°
C7N1C9H2717.8°163.6°
N1C1C2C877.3°56.9°
C1N1C7C38.4°11.7°
N1C1C2C4117.0°120.8°
N1C1C2H2123.9°120.7°
N1C1C4H2121.2°118.3°
N1C1C2C552.4°63.2°
N1C1C4C1060.2°62.6°
N1C1C4C669.5°57.0°
N1C1C2H4167.7°178.5°
N1C1C4H19174.5°176.7°
C1N1C7H24112.5°131.4°
C1N1C7H25129.2°108.1°
C1N1C9H26128.9°148.7°
C1N1C9H27113.4°30.8°
N2C8C2C1165.4°144.7°
N2C8C2C566.5°94.5°
N2C8C2H450.5°22.7°
C8C2C1C5129.7°120.1°
C8C2C1H4114.9°121.6°
C8C2C1C4165.6°177.7°
C8C2C5H4117.2°116.9°
C8C2C5C3137.7°117.8°
C8C2C1H246.6°63.8°
C2C8N2H36.4°2.1°
C8C2C5H2018.2°1.9°
C8C2C5H21102.8°122.5°
C7C3C5C260.7°53.6°
C7C3C5C6119.1°119.5°
C7C3C5H5120.5°120.7°
C7C3C6H5121.4°121.4°
C7C3C6C445.9°61.1°
C7C3C5H2058.8°66.1°
C7C3C5H21179.8°173.3°
C7C3C6H2273.7°58.7°
C7C3C6H23165.5°178.9°
C3C7H24H25117.1°120.4°
C2C1C4H2119.3°118.8°
C1C2C5H4115.5°118.2°
C1C2C5C310.5°7.1°
C2C1C4C10179.7°174.5°
C2C1C4C650.0°65.8°
C2C1C4H1966.0°53.8°
C1C2C5H20109.0°126.8°
C1C2C5H21130.0°112.6°
C4C1C2C564.7°57.6°
C1C4C6C314.1°6.3°
C1C4C10C6125.7°118.5°
C1C4C10H19114.4°120.7°
C1C4C10C1481.9°175.0°
C1C4C6H19116.0°119.6°
C4C1C2H450.7°60.7°
C1C4C10H639.4°65.0°
C1C4C10H7156.8°55.0°
C1C4C6H22133.7°113.5°
C1C4C6H23105.5°126.3°
C2C5C3H20119.5°119.7°
C2C5C3H21119.5°119.7°
C2C5C3C658.4°65.9°
C5C2C1H2176.3°176.0°
C2C5C3H5178.8°174.3°
C2C5H20H21121.5°120.6°
C5C3C6H5120.2°119.8°
C5C3C6C472.5°57.6°
C3C5C2H4105.0°125.3°
C3C5H20H21121.5°120.6°
C5C3C6H22168.0°177.5°
C5C3C6H2347.1°62.3°
C5C3C7H24174.9°173.9°
C5C3C7H2566.9°53.4°
C3C6C4C10110.0°125.9°
C3C6C4H22119.6°119.9°
C3C6C4H23119.6°120.0°
C3C6C4H19130.2°113.3°
C6C3C5H20177.9°174.4°
C6C3C5H2161.1°53.8°
C3C6H22H23121.2°120.2°
C6C3C7H2457.1°67.4°
C6C3C7H25175.3°172.1°
C4C10C14H6121.2°120.1°
C4C10C14H7121.2°120.1°
C10C4C6H19119.8°120.8°
C10C4C1H261.0°55.7°
C4C10H6H7116.0°120.0°
C4C10C14H10180.0°180.0°
C4C10C14H1160.0°60.0°
C4C10C14H1260.0°60.0°
C10C4C6H229.5°6.0°
C10C4C6H23130.4°114.2°
C14C10C4C6152.4°66.5°
C14C10H6H7116.1°119.9°
C10C14H10H11120.0°120.0°
C10C14H10H12120.0°120.0°
C10C14H11H12120.0°119.9°
C14C10C4H1932.5°54.3°
C6C4C1H2169.3°175.3°
C4C6C3H5167.3°177.4°
C6C4C10H686.4°53.5°
C6C4C10H731.1°173.5°
C4C6H22H23121.2°120.2°
H2C1C2H468.3°57.8°
H2C1C4H1953.3°65.0°
H4C2C5H20135.5°115.0°
H4C2C5H2114.5°5.6°
H5C3C5H2061.7°54.6°
H5C3C5H2159.3°66.0°
H5C3C6H2247.7°62.7°
H5C3C6H2373.1°57.5°
H5C3C7H2464.6°53.7°
H5C3C7H2553.6°66.8°
H6C10C14H1058.8°59.9°
H6C10C14H11178.7°60.1°
H6C10C14H1261.2°180.0°
H6C10C4H19153.8°174.3°
H7C10C14H1058.7°59.9°
H7C10C14H1161.2°179.9°
H7C10C14H12178.7°60.1°
H7C10C4H1988.7°65.7°
H8C12C9H2658.0°53.5°
H8C12C9H2759.8°64.3°
H9C12C9H2659.8°66.1°
H9C12C9H27177.6°176.2°
H10C14H11H12120.0°120.0°
H14C17C19H152.5°0.0°
H16C20H17H18120.0°120.0°
H19C4C6H22110.3°126.8°
H19C4C6H2310.6°6.6°

247536

PDB entries from 2026-01-14

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