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ZHF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C18doub1.33Å1.37ÅAromatic
C19Ssing1.76Å1.69ÅAromatic
C18C17sing1.39Å1.43ÅAromatic
SC20sing1.76Å1.76ÅAromatic
C17C20doub1.35Å1.35ÅAromatic
C17C16sing1.52Å1.51Å
C20C21sing1.51Å1.50Å
C16N3sing1.47Å1.47Å
C21C22sing1.53Å1.52Å
C22N3sing1.47Å1.48Å
N3Csing1.35Å1.36Å
C13N2sing1.34Å1.37ÅAromatic
C13C14doub1.35Å1.35ÅAromatic
OCdoub1.21Å1.23Å
CC1sing1.51Å1.53Å
N2C12doub1.31Å1.31ÅAromatic
C14N1sing1.37Å1.37ÅAromatic
C1C2sing1.53Å1.53Å
C1Nsing1.47Å1.45Å
O1C5doub1.21Å1.23Å
C12N1sing1.35Å1.35ÅAromatic
C2C3sing1.53Å1.53Å
N1C11sing1.46Å1.47Å
C5Nsing1.35Å1.33Å
C5C6sing1.48Å1.50Å
C15C6doub1.40Å1.39ÅAromatic
C15C10sing1.38Å1.39ÅAromatic
C3C4sing1.53Å1.49Å
C6C7sing1.40Å1.39ÅAromatic
C11C10sing1.51Å1.51Å
C10C9doub1.38Å1.39ÅAromatic
C7C8doub1.38Å1.39ÅAromatic
C9C8sing1.38Å1.39ÅAromatic
C7H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
C9H3sing1.08Å1.08Å
C1H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C3H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C15H12sing1.08Å1.08Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C14H15sing1.08Å1.08Å
C13H16sing1.08Å1.08Å
C12H17sing1.08Å1.08Å
NH18sing0.97Å1.00Å
C22H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
C19H25sing1.08Å1.08Å
C18H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C19S112.5°109.6°
C19C18C17112.6°115.7°
C18C19H25123.7°125.2°
C19C18H26123.7°122.1°
C19SC2091.7°91.1°
SC19H25123.7°125.2°
C18C17C20112.3°113.8°
C18C17C16126.0°123.6°
C17C18H26123.7°122.2°
SC20C17110.9°109.9°
SC20C21124.6°125.1°
C20C17C16121.6°122.6°
C17C20C21124.5°125.1°
C17C16N3112.0°108.0°
C17C16H23108.8°109.8°
C17C16H24108.8°109.8°
C20C21C22108.4°109.1°
C20C21H21109.8°109.6°
C20C21H22109.7°109.6°
C16N3C22112.9°118.2°
C16N3C121.9°120.9°
N3C16H23108.8°110.0°
N3C16H24108.8°109.4°
C21C22N3111.8°108.6°
C21C22H19108.9°109.6°
C21C22H20108.9°109.7°
C22C21H21109.7°109.5°
C22C21H22109.7°109.5°
C22N3C125.2°120.9°
N3C22H19108.9°109.7°
N3C22H20108.9°109.6°
N3CO122.1°120.0°
N3CC1119.1°120.0°
N2C13C14110.5°108.0°
C13N2C12104.7°109.3°
N2C13H16124.8°126.0°
C13C14N1106.0°106.8°
C13C14H15127.0°126.6°
C14C13H16124.8°126.0°
OCC1118.8°120.0°
CC1C2108.1°109.5°
CC1N106.6°109.5°
CC1H4109.9°109.5°
N2C12N1112.3°108.7°
N2C12H17123.9°125.6°
C14N1C12106.6°107.2°
C14N1C11126.6°126.4°
N1C14H15127.0°126.6°
C2C1N111.1°109.5°
C1C2C3115.7°109.5°
C2C1H4110.0°109.5°
C1C2H10107.9°109.4°
C1C2H11107.9°109.5°
C1NC5119.5°120.0°
NC1H4111.0°109.4°
C1NH18120.3°120.0°
O1C5N121.4°120.0°
O1C5C6121.1°120.0°
C12N1C11126.8°126.4°
N1C12H17123.9°125.7°
C2C3C4113.7°109.5°
C2C3H8108.4°109.5°
C2C3H9108.4°109.5°
C3C2H10107.9°109.5°
C3C2H11107.9°109.5°
N1C11C10113.3°109.5°
N1C11H13108.5°109.5°
N1C11H14108.5°109.4°
NC5C6117.6°120.0°
C5NH18120.2°120.0°
C5C6C15116.3°120.1°
C5C6C7124.4°120.2°
C6C15C10121.1°119.8°
C15C6C7119.2°119.8°
C6C15H12119.5°120.1°
C15C10C11119.8°119.9°
C15C10C9118.8°120.1°
C10C15H12119.5°120.1°
C3C4H5109.5°109.5°
C3C4H6109.5°109.4°
C3C4H7109.5°109.5°
C4C3H8108.4°109.5°
C4C3H9108.4°109.5°
C6C7C8120.2°119.9°
C6C7H1119.9°120.0°
C11C10C9121.2°120.0°
C10C11H13108.5°109.5°
C10C11H14108.5°109.4°
C10C9C8120.6°120.3°
C10C9H3119.7°119.8°
C7C8C9120.0°120.2°
C8C7H1119.9°120.1°
C7C8H2120.0°119.9°
C9C8H2120.0°119.9°
C8C9H3119.7°119.9°
H5C4H6109.5°109.4°
H5C4H7109.5°109.5°
H6C4H7109.5°109.5°
H8C3H9109.4°109.5°
H10C2H11109.5°109.5°
H13C11H14109.4°109.5°
H19C22H20109.5°109.7°
H21C21H22109.5°109.6°
H23C16H24109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C19SH25180.0°180.0°
C19C18C17H26180.0°180.0°
C18C19SC200.5°0.1°
C19C18C17C201.3°0.4°
C19C18C17C16177.1°179.8°
SC19C18C171.1°0.1°
C19SC20C170.2°0.3°
C19SC20C21178.6°179.8°
SC19C18H26178.9°179.9°
C18C17C20S0.9°0.4°
C18C17C20C16178.5°179.9°
C18C17C20C21177.9°179.6°
C18C17C16N3169.3°168.6°
C18C17C16H2348.9°48.7°
C18C17C16H2470.3°72.1°
C17C18C19H25178.9°179.9°
SC20C17C21178.8°180.0°
SC20C17C16177.6°179.8°
SC20C21C22162.9°162.0°
SC20C21H2143.1°42.1°
SC20C21H2277.3°78.1°
C20SC19H25179.5°179.9°
C20C17C16N38.9°11.3°
C17C20C21C2215.7°18.0°
C17C20C21H21135.6°137.9°
C17C20C21H22104.1°101.9°
C20C17C16H23129.3°131.2°
C20C17C16H24111.5°108.0°
C20C17C18H26178.7°179.7°
C16C17C20C213.6°0.2°
C17C16N3H23120.4°119.8°
C17C16N3H24120.4°119.5°
C17C16N3C2241.8°44.8°
C17C16N3C139.0°135.0°
C17C16H23H24118.8°120.8°
C16C17C18H262.9°0.2°
C20C21C22H21119.9°119.9°
C20C21C22H22119.8°119.9°
C20C21C22N347.8°45.5°
C20C21C22H1972.6°74.2°
C20C21C22H20168.1°165.3°
C20C21H21H22120.5°120.3°
C16N3C22C2164.1°64.7°
C16N3C22C179.1°179.8°
C16N3CO7.4°179.7°
C16N3CC1173.7°0.2°
C16N3C22H1956.3°55.0°
C16N3C22H20175.6°175.4°
N3C16H23H24118.8°120.5°
C21C22N3H19120.3°119.7°
C21C22N3H20120.4°119.9°
C21C22N3C116.9°115.1°
C21C22H19H20118.9°120.5°
C22C21H21H22120.5°120.1°
C22N3CO171.6°0.1°
C22N3CC17.3°180.0°
N3C22H19H20118.9°120.4°
N3C22C21H21167.6°165.4°
N3C22C21H2272.0°74.4°
C22N3C16H23162.2°164.6°
C22N3C16H2478.6°74.7°
N3COC1178.9°179.9°
N3CC1C291.6°60.0°
N3CC1N148.9°179.9°
N3CC1H428.5°60.0°
CN3C22H19122.8°125.2°
CN3C22H203.5°4.8°
CN3C16H2318.6°15.2°
CN3C16H24100.6°105.5°
N2C13C14H16180.0°179.8°
N2C13C14N10.1°0.1°
C13N2C12N10.6°0.4°
N2C13C14H15179.9°180.0°
C13N2C12H17179.4°179.9°
C14C13N2C120.4°0.2°
C13C14N1H15180.0°179.9°
C13C14N1C120.2°0.3°
C13C14N1C11178.2°180.0°
OCC1C287.4°120.1°
OCC1N32.1°0.0°
OCC1H4152.5°119.9°
CC1C2N116.6°120.1°
CC1C2H4120.0°120.0°
CC1NH4119.7°120.0°
CC1C2C3171.5°175.0°
CC1NC572.6°155.0°
CC1C2H1067.6°65.0°
CC1C2H1150.6°55.0°
CC1NH18107.4°25.0°
N2C12N1C140.5°0.5°
N2C12N1H17180.0°179.5°
N2C12N1C11177.9°179.8°
C12N2C13H16179.6°180.0°
C14N1C12C11178.5°179.7°
C14N1C11C10117.6°90.0°
C14N1C11H132.9°149.9°
C14N1C11H14121.8°30.0°
N1C14C13H16179.9°179.7°
C14N1C12H17179.5°179.9°
C2C1NH4122.7°119.9°
C1C2C3H10120.9°119.9°
C1C2C3H11120.9°120.0°
C2C1NC5169.8°85.0°
C1C2C3C448.0°180.0°
C1C2C3H872.6°60.0°
C1C2C3H9168.7°60.0°
C1C2H10H11117.1°120.0°
C2C1NH1810.2°95.1°
C1NC5O13.0°0.0°
NC1C2C371.9°64.9°
C1NC5H18180.0°180.0°
C1NC5C6177.3°180.0°
NC1C2H1049.1°55.0°
NC1C2H11167.2°175.0°
O1C5NC6179.7°180.0°
O1C5C6C1519.6°0.1°
O1C5C6C7158.6°180.0°
O1C5NH18177.0°180.0°
C12N1C11C1064.2°90.4°
C12N1C11H13175.2°29.7°
C12N1C11H1456.4°149.7°
C12N1C14H15179.7°179.8°
C2C3C4H8120.6°120.0°
C2C3C4H9120.6°120.0°
C3C2C1H451.5°55.0°
C2C3C4H5180.0°60.0°
C2C3C4H660.0°60.0°
C2C3C4H760.0°180.0°
C2C3H8H9118.1°120.0°
C3C2H10H11117.2°120.1°
N1C11C10C1561.6°90.0°
N1C11C10H13120.6°120.1°
N1C11C10H14120.6°120.0°
N1C11C10C9123.0°90.7°
N1C11H13H14118.3°120.0°
C11N1C14H151.8°0.1°
C11N1C12H172.1°0.4°
NC5C6C15160.7°179.9°
NC5C6C721.1°0.0°
C5NC1H447.1°35.0°
C5C6C15C7178.3°180.0°
C5C6C15C10178.5°179.5°
C5C6C7C8179.8°180.0°
C5C6C7H10.2°0.3°
C5C6C15H121.5°0.0°
C6C5NH182.7°0.0°
C6C15C10H12180.0°179.5°
C6C15C10C11173.7°180.0°
C6C15C10C91.8°0.8°
C15C6C7C82.0°0.0°
C15C6C7H1178.0°179.8°
C10C15C6C70.2°0.5°
C15C10C11C9175.4°179.3°
C15C10C9C82.2°0.5°
C15C10C9H3177.8°179.5°
C15C10C11H1359.0°30.1°
C15C10C11H14177.8°150.0°
C3C4H5H6120.0°120.0°
C3C4H5H7120.0°120.0°
C3C4H6H7120.0°120.0°
C4C3H8H9118.1°120.1°
C4C3C2H10168.9°60.0°
C4C3C2H1172.9°60.0°
C6C7C8H1180.0°179.7°
C6C7C8C91.7°0.2°
C6C7C8H2178.3°179.8°
C7C6C15H12179.8°180.0°
C11C10C9C8173.2°179.8°
C11C10C9H36.8°0.2°
C11C10C15H126.4°0.5°
C10C11H13H14118.2°119.9°
C10C9C8C70.5°0.0°
C10C9C8H3180.0°180.0°
C10C9C8H2179.5°179.9°
C9C10C15H12178.1°179.7°
C9C10C11H13116.4°149.2°
C9C10C11H142.4°29.2°
C7C8C9H2180.0°180.0°
C7C8C9H3179.5°180.0°
C9C8C7H1178.3°180.0°
H1C7C8H21.7°0.1°
H2C8C9H30.5°0.0°
H4C1C2H10172.4°174.9°
H4C1C2H1169.5°65.1°
H4C1NH18132.9°145.0°
H5C4H6H7120.0°120.0°
H5C4C3H859.4°60.0°
H5C4C3H959.4°180.0°
H6C4C3H8179.4°179.9°
H6C4C3H960.6°60.0°
H7C4C3H860.6°60.1°
H7C4C3H9179.4°60.0°
H8C3C2H1048.3°59.9°
H8C3C2H11166.5°180.0°
H9C3C2H1070.4°179.9°
H9C3C2H1147.8°60.0°
H15C14C13H160.1°0.2°
H19C22C21H2147.3°45.7°
H19C22C21H22167.6°165.9°
H20C22C21H2172.0°74.8°
H20C22C21H2248.3°45.4°
H25C19C18H261.1°0.1°

222415

PDB entries from 2024-07-10

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