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VSZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C5sing1.53Å1.50Å
O12C11doub1.21Å1.22Å
C16C15sing1.53Å1.51Å
C9C11sing1.51Å1.51Å
C9O10sing1.43Å1.40Å
C9C4sing1.53Å1.51Å
C11N13sing1.35Å1.32Å
C5C4sing1.53Å1.51Å
C5C7sing1.53Å1.50Å
C4C1sing1.51Å1.49Å
N13C14sing1.46Å1.45Å
C15C17sing1.53Å1.51Å
C15C14sing1.53Å1.51Å
C14C18sing1.51Å1.48Å
C1O3doub1.21Å1.22Å
C18N20sing1.35Å1.29Å
C18O19doub1.21Å1.21Å
C24C22sing1.53Å1.51Å
N20C21sing1.47Å1.44Å
O26C25doub1.21Å1.23Å
C22C21sing1.53Å1.52Å
C22C23sing1.53Å1.51Å
C21C25sing1.51Å1.48Å
C25O27sing1.34Å1.24Å
C42C23sing1.53Å1.52Å
C4H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C21H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C24H17sing1.09Å1.10Å
C1H18sing1.08Å1.08Å
C9H19sing1.09Å1.10Å
O10H20sing0.97Å0.95Å
N13H21sing0.97Å1.00Å
C14H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
C16H25sing1.09Å1.10Å
N20H26sing0.97Å1.00Å
O27H27sing0.97Å0.95Å
C23H28sing1.09Å1.10Å
C23H29sing1.09Å1.10Å
C42H30sing1.09Å1.10Å
C42H31sing1.09Å1.10Å
C42H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C5C4110.1°109.5°
C6C5C7107.5°109.5°
C6C5H2110.7°109.4°
C5C6H3109.5°109.5°
C5C6H4109.4°109.5°
C5C6H5109.5°109.5°
O12C11C9120.2°120.0°
O12C11N13122.7°120.0°
C16C15C17108.7°109.5°
C16C15C14109.8°109.5°
C16C15H9110.4°109.5°
C15C16H23109.5°109.5°
C15C16H24109.5°109.4°
C15C16H25109.5°109.5°
C11C9O10110.9°109.5°
C11C9C4107.6°109.5°
C9C11N13117.1°120.0°
C11C9H19109.8°109.4°
O10C9C4107.4°109.5°
O10C9H19111.4°109.5°
C9O10H20109.5°114.0°
C9C4C5110.2°109.4°
C9C4C1107.6°109.5°
C9C4H1110.7°109.5°
C4C9H19109.8°109.5°
C11N13C14120.5°120.1°
C11N13H21119.8°120.0°
C4C5C7107.2°109.5°
C5C4C1106.6°109.5°
C5C4H1110.6°109.4°
C4C5H2110.5°109.5°
C7C5H2110.7°109.5°
C5C7H6109.5°109.5°
C5C7H7109.5°109.5°
C5C7H8109.4°109.5°
C4C1O3121.6°120.0°
C1C4H1110.9°109.5°
C4C1H18119.2°120.0°
N13C14C15111.5°109.5°
N13C14C18105.6°109.5°
C14N13H21119.7°119.9°
N13C14H22111.1°109.4°
C17C15C14107.3°109.5°
C17C15H9110.4°109.4°
C15C17H10109.5°109.5°
C15C17H11109.5°109.5°
C15C17H12109.5°109.5°
C15C14C18107.5°109.5°
C14C15H9110.3°109.5°
C15C14H22110.2°109.5°
C14C18N20115.4°120.0°
C14C18O19121.3°120.0°
C18C14H22110.6°109.4°
O3C1H18119.2°120.0°
N20C18O19123.2°120.0°
C18N20C21119.7°120.0°
C18N20H26120.1°120.0°
C24C22C21107.9°109.5°
C24C22C23110.5°109.4°
C24C22H14109.2°109.5°
C22C24H15109.5°109.5°
C22C24H16109.5°109.5°
C22C24H17109.5°109.4°
N20C21C22107.0°109.5°
N20C21C25106.2°109.5°
N20C21H13112.1°109.5°
C21N20H26120.1°120.0°
O26C25C21115.5°120.0°
O26C25O27126.9°120.0°
C21C22C23110.8°109.5°
C22C21C25109.1°109.4°
C22C21H13110.8°109.5°
C21C22H14109.1°109.5°
C22C23C42110.4°109.5°
C23C22H14109.2°109.4°
C22C23H28109.2°109.5°
C22C23H29109.2°109.5°
C21C25O27117.6°120.0°
C25C21H13111.4°109.5°
C25O27H27109.5°117.0°
C42C23H28109.2°109.5°
C42C23H29109.2°109.5°
C23C42H30109.5°109.5°
C23C42H31109.5°109.5°
C23C42H32109.5°109.4°
H3C6H4109.5°109.4°
H3C6H5109.4°109.5°
H4C6H5109.5°109.5°
H6C7H7109.5°109.5°
H6C7H8109.5°109.5°
H7C7H8109.5°109.4°
H10C17H11109.4°109.5°
H10C17H12109.4°109.5°
H11C17H12109.5°109.5°
H15C24H16109.5°109.5°
H15C24H17109.5°109.5°
H16C24H17109.4°109.5°
H23C16H24109.4°109.5°
H23C16H25109.5°109.5°
H24C16H25109.5°109.5°
H28C23H29109.5°109.4°
H30C42H31109.4°109.5°
H30C42H32109.4°109.5°
H31C42H32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C5C4C950.9°60.0°
C6C5C4C7116.7°120.0°
C6C5C4H2122.6°120.0°
C6C5C7H2121.0°120.0°
C6C5C4C1167.4°180.0°
C6C5C4H171.9°60.0°
C5C6H3H4120.0°120.0°
C5C6H3H5120.0°120.0°
C5C6H4H5120.0°120.1°
C6C5C7H6180.0°180.0°
C6C5C7H760.0°60.0°
C6C5C7H860.0°60.0°
O12C11C9N13178.7°180.0°
O12C11C9O10165.9°5.0°
O12C11C9C477.0°115.0°
O12C11N13C140.6°0.0°
O12C11C9H1942.4°125.1°
O12C11N13H21179.4°180.0°
C16C15C14N1358.9°53.9°
C16C15C17C14118.6°120.0°
C16C15C17H9121.1°120.0°
C16C15C14H9121.8°120.1°
C16C15C14C18174.3°66.2°
C16C15C17H10180.0°62.2°
C16C15C17H1160.0°57.7°
C16C15C17H1260.0°177.7°
C16C15C14H2265.0°173.9°
C15C16H23H24120.0°119.9°
C15C16H23H25120.0°120.0°
C15C16H24H25120.0°120.0°
C11C9O10C4117.2°120.0°
C11C9O10H19122.6°120.0°
C11C9C4H19119.4°119.9°
C11C9C4C5173.5°175.0°
C11C9C4C170.6°65.0°
C9C11N13C14178.1°180.0°
C11C9C4H150.8°55.0°
C11C9O10H20180.0°60.0°
C9C11N13H211.9°0.0°
O10C9C4H19121.2°120.1°
O10C9C11N1315.4°175.0°
O10C9C4C567.1°65.0°
O10C9C4C148.8°55.0°
O10C9C4H1170.2°175.0°
C4C9C11N13101.7°65.0°
C9C4C5C1116.5°120.0°
C9C4C5H1122.8°120.0°
C9C4C5C7167.5°180.0°
C9C4C1H1121.2°120.0°
C9C4C1O3125.5°120.1°
C9C4C5H271.7°60.0°
C9C4C1H1854.5°60.0°
C4C9O10H2062.8°59.9°
C11N13C14H21180.0°180.0°
C11N13C14C15129.6°85.0°
C11N13C14C18113.9°155.0°
N13C11C9H19138.9°55.0°
C11N13C14H226.2°35.0°
C4C5C7H2120.7°120.0°
C5C4C1H1120.5°120.0°
C5C4C1O3116.2°120.0°
C4C5C6H3180.0°180.0°
C4C5C6H460.0°60.0°
C4C5C6H560.0°60.0°
C4C5C7H661.6°60.0°
C4C5C7H7178.4°180.0°
C4C5C7H858.4°60.0°
C5C4C1H1863.8°60.0°
C5C4C9H1954.1°55.1°
C7C5C4C176.0°60.0°
C7C5C4H144.8°60.0°
C7C5C6H363.5°60.0°
C7C5C6H4176.5°180.0°
C7C5C6H556.5°60.0°
C5C7H6H7120.0°120.1°
C5C7H6H8120.0°120.0°
C5C7H7H8120.0°120.0°
C4C1O3H18180.0°179.9°
C1C4C5H244.8°60.0°
C1C4C9H19170.0°175.1°
N13C14C15C17176.8°66.1°
N13C14C15C18115.4°120.1°
N13C14C15H22123.9°119.9°
N13C14C18H22120.4°119.9°
N13C14C18N20127.7°170.4°
N13C14C18O1951.2°9.6°
N13C14C15H962.9°174.0°
C17C15C14H9120.2°119.9°
C17C15C14C1867.8°173.8°
C15C17H10H11120.0°120.0°
C15C17H10H12120.0°120.0°
C15C17H11H12120.0°120.0°
C17C15C14H2252.9°53.9°
C17C15C16H23180.0°60.0°
C17C15C16H2460.0°180.0°
C17C15C16H2560.0°60.0°
C15C14C18H22120.4°120.0°
C15C14C18N20113.1°69.5°
C15C14C18O1968.0°110.5°
C14C15C17H1061.4°57.8°
C14C15C17H1158.6°177.7°
C14C15C17H12178.6°62.2°
C15C14N13H2150.4°95.0°
C14C15C16H2363.0°60.0°
C14C15C16H24177.0°60.0°
C14C15C16H2557.1°180.0°
C14C18N20O19178.9°180.0°
C14C18N20C21178.6°175.5°
C18C14C15H952.4°53.9°
C18C14N13H2166.2°25.1°
C14C18N20H261.4°4.6°
O3C1C4H14.3°0.0°
C18N20C21H26180.0°179.9°
C18N20C21C22127.5°155.0°
C18N20C21C25116.1°85.0°
C18N20C21H135.7°35.0°
N20C18C14H227.3°50.5°
O19C18N20C210.3°4.5°
O19C18C14H22171.6°129.5°
O19C18N20H26179.7°175.4°
C24C22C21N2047.1°65.0°
C24C22C21C23121.2°120.0°
C24C22C21H14118.5°120.0°
C24C22C23H14120.2°120.0°
C24C22C21C2567.3°55.0°
C24C22C23C4222.2°65.0°
C24C22C21H13169.6°175.0°
C22C24H15H16120.0°120.0°
C22C24H15H17120.0°119.9°
C22C24H16H17120.0°119.9°
C24C22C23H28142.3°55.1°
C24C22C23H2997.9°175.0°
N20C21C25O2647.8°0.0°
N20C21C22C25114.4°120.0°
N20C21C22H13122.5°120.0°
N20C21C22C23168.3°175.0°
N20C21C25H13122.3°120.0°
N20C21C25O27131.9°180.0°
N20C21C22H1471.4°55.0°
O26C25C21C2267.2°120.0°
O26C25C21O27179.6°180.0°
O26C25C21H13170.1°120.0°
O26C25O27H270.0°0.0°
C21C22C23H14120.2°120.0°
C22C21C25H13122.7°120.0°
C22C21C25O27113.1°60.0°
C21C22C23C4297.4°175.0°
C21C22C24H15180.0°60.0°
C21C22C24H1660.0°179.9°
C21C22C24H1760.0°60.0°
C22C21N20H2652.6°25.1°
C21C22C23H2822.7°64.9°
C21C22C23H29142.4°55.0°
C23C22C21C2553.8°65.0°
C22C23C42H28120.2°120.1°
C22C23C42H29120.1°120.0°
C23C22C21H1369.2°55.0°
C23C22C24H1558.7°60.1°
C23C22C24H16178.7°60.0°
C23C22C24H1761.4°180.0°
C22C23H28H29119.6°120.0°
C22C23C42H30180.0°60.0°
C22C23C42H3160.0°60.0°
C22C23C42H3260.0°180.0°
C25C21C22H14174.1°175.0°
C25C21N20H2663.9°94.9°
C21C25O27H27179.6°180.0°
O27C25C21H139.6°59.9°
C42C23C22H14142.4°55.0°
C42C23H28H29119.6°120.0°
C23C42H30H31120.0°120.0°
C23C42H30H32120.0°120.0°
C23C42H31H32120.0°120.0°
H1C4C5H2165.5°179.9°
H1C4C1H18175.7°180.0°
H1C4C9H1968.6°64.9°
H2C5C6H357.5°60.0°
H2C5C6H462.5°60.0°
H2C5C6H5177.5°180.0°
H2C5C7H659.0°60.0°
H2C5C7H761.0°60.0°
H2C5C7H8179.0°180.0°
H3C6H4H5120.0°119.9°
H6C7H7H8120.0°119.9°
H9C15C17H1058.9°177.8°
H9C15C17H11178.8°62.3°
H9C15C17H1261.1°57.8°
H9C15C14H22173.1°66.1°
H9C15C16H2358.9°180.0°
H9C15C16H2461.1°60.1°
H9C15C16H25178.9°59.9°
H10C17H11H12119.9°120.0°
H13C21C22H1451.0°65.0°
H13C21N20H26174.3°145.0°
H14C22C24H1561.5°180.0°
H14C22C24H1658.5°59.9°
H14C22C24H17178.5°60.0°
H14C22C23H2897.5°175.0°
H14C22C23H2922.2°65.0°
H15C24H16H17120.0°120.1°
H19C9O10H2057.4°180.0°
H21N13C14H22173.8°145.0°
H23C16H24H25120.0°120.0°
H28C23C42H3059.8°180.0°
H28C23C42H31179.8°60.0°
H28C23C42H3260.1°60.0°
H29C23C42H3059.9°60.0°
H29C23C42H3160.1°180.0°
H29C23C42H32179.9°60.0°
H30C42H31H32120.0°120.0°

223166

PDB entries from 2024-07-31

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