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NQ2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O5C21sing1.43Å1.44Å
O1Sdoub1.42Å1.43Å
C21C23sing1.53Å1.52Å
C21C22sing1.53Å1.52Å
C21C18sing1.53Å1.55Å
O2Sdoub1.42Å1.43Å
SN1sing1.66Å1.62Å
SC6sing1.81Å1.75Å
N1C5sing1.40Å1.43Å
C18C17sing1.53Å1.55Å
C18C19sing1.53Å1.53Å
C17C16sing1.53Å1.54Å
C16N2sing1.47Å1.48Å
OCsing1.43Å1.43Å
OC1sing1.36Å1.36Å
C5C4doub1.39Å1.39ÅAromatic
C5C1sing1.40Å1.41ÅAromatic
C19C20sing1.53Å1.53Å
C4C3sing1.40Å1.40ÅAromatic
C1Ndoub1.32Å1.33ÅAromatic
C20N2sing1.47Å1.47Å
N2C15sing1.47Å1.48Å
C3C2doub1.39Å1.39ÅAromatic
C3C7sing1.48Å1.49Å
NC2sing1.32Å1.34ÅAromatic
C14C15sing1.53Å1.52Å
C14O4sing1.43Å1.45Å
C24C7doub1.39Å1.40ÅAromatic
C24C13sing1.39Å1.39ÅAromatic
C7C8sing1.39Å1.40ÅAromatic
O4C13sing1.36Å1.38Å
C13C12doub1.39Å1.40ÅAromatic
C8C9doub1.38Å1.39ÅAromatic
C12C9sing1.39Å1.39ÅAromatic
C12C11sing1.51Å1.50Å
C9C10sing1.51Å1.49Å
C11O3sing1.44Å1.43Å
C10O3sing1.44Å1.43Å
N1H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C8H6sing1.08Å1.08Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C24H18sing1.08Å1.08Å
CH19sing1.09Å1.10Å
CH20sing1.09Å1.10Å
CH21sing1.09Å1.10Å
C2H22sing1.08Å1.08Å
C11H23sing1.09Å1.10Å
C11H24sing1.09Å1.10Å
C14H25sing1.09Å1.10Å
C14H26sing1.09Å1.10Å
C19H28sing1.09Å1.10Å
C19H29sing1.09Å1.10Å
C18H30sing1.09Å1.10Å
O5H31sing0.97Å0.95Å
C23H32sing1.09Å1.10Å
C23H33sing1.09Å1.10Å
C23H34sing1.09Å1.10Å
C16H35sing1.09Å1.10Å
C16H36sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O5C21C23108.5°109.5°
O5C21C22106.4°109.5°
O5C21C18106.3°109.5°
C21O5H31109.5°114.0°
O1SO2118.8°121.0°
O1SN1106.8°104.3°
O1SC6107.8°110.6°
C23C21C22110.1°109.5°
C23C21C18112.2°109.4°
C21C23H32109.5°109.5°
C21C23H33109.5°109.5°
C21C23H34109.5°109.4°
C22C21C18112.9°109.5°
C21C22H15109.5°109.5°
C21C22H16109.4°109.4°
C21C22H17109.5°109.5°
C21C18C17114.4°109.5°
C21C18C19114.1°109.6°
C21C18H30105.9°109.5°
O2SN1108.2°104.3°
O2SC6108.2°110.5°
N1SC6106.3°104.5°
SN1C5124.2°120.0°
SN1H1105.7°120.0°
SC6H3109.5°109.5°
SC6H4109.5°109.4°
SC6H5109.5°109.5°
N1C5C4122.5°120.4°
N1C5C1118.9°120.4°
C5N1H1105.7°120.0°
C17C18C19109.7°109.1°
C18C17C16109.8°109.3°
C18C17H11109.4°109.5°
C18C17H12109.4°109.5°
C17C18H30105.9°109.5°
C18C19C20110.4°109.3°
C18C19H28109.2°109.5°
C18C19H29109.2°109.6°
C19C18H30106.2°109.6°
C17C16N2110.7°109.5°
C16C17H11109.4°109.5°
C16C17H12109.4°109.5°
C17C16H35109.2°109.5°
C17C16H36109.2°109.4°
C16N2C20110.1°111.2°
C16N2C15114.8°111.0°
N2C16H35109.2°109.4°
N2C16H36109.2°109.5°
COC1117.8°117.0°
OCH19109.5°109.5°
OCH20109.5°109.5°
OCH21109.5°109.5°
OC1C5115.9°119.6°
OC1N121.4°119.6°
C4C5C1118.5°119.1°
C5C4C3119.2°118.3°
C5C4H2120.4°120.9°
C5C1N122.6°120.8°
C19C20N2111.2°109.5°
C19C20H13109.0°109.5°
C19C20H14109.0°109.5°
C20C19H28109.3°109.5°
C20C19H29109.3°109.5°
C4C3C2117.1°119.1°
C4C3C7121.1°120.4°
C3C4H2120.4°120.9°
C1NC2117.9°121.8°
C20N2C15114.6°111.0°
N2C20H13109.0°109.5°
N2C20H14109.0°109.4°
N2C15C14116.8°109.5°
N2C15H9107.6°109.5°
N2C15H10107.6°109.5°
C2C3C7121.8°120.5°
C3C2N124.5°120.8°
C3C2H22117.7°119.6°
C3C7C24120.7°120.1°
C3C7C8120.4°120.1°
NC2H22117.8°119.5°
C15C14O4109.9°109.5°
C14C15H9107.6°109.5°
C14C15H10107.6°109.5°
C15C14H25109.4°109.4°
C15C14H26109.4°109.5°
C14O4C13117.8°117.0°
O4C14H25109.4°109.5°
O4C14H26109.3°109.5°
C7C24C13120.3°119.8°
C24C7C8118.9°119.9°
C7C24H18119.8°120.1°
C24C13O4124.1°120.0°
C24C13C12119.9°119.9°
C13C24H18119.8°120.1°
C7C8C9120.8°120.0°
C7C8H6119.6°120.0°
O4C13C12115.9°120.0°
C13C12C9120.2°120.2°
C13C12C11131.4°132.5°
C8C9C12119.9°120.2°
C8C9C10131.2°132.6°
C9C8H6119.6°120.0°
C9C12C11108.4°107.3°
C12C9C10108.8°107.3°
C12C11O3105.1°105.9°
C12C11H23110.6°110.2°
C12C11H24110.6°110.2°
C9C10O3105.0°105.9°
C9C10H7110.6°110.1°
C9C10H8110.6°110.1°
C11O3C10110.6°104.9°
O3C11H23110.6°110.1°
O3C11H24110.6°110.1°
O3C10H7110.6°110.2°
O3C10H8110.6°110.1°
H3C6H4109.5°109.5°
H3C6H5109.4°109.5°
H4C6H5109.5°109.4°
H7C10H8109.4°110.2°
H9C15H10109.5°109.5°
H11C17H12109.4°109.5°
H13C20H14109.5°109.5°
H15C22H16109.5°109.5°
H15C22H17109.4°109.5°
H16C22H17109.5°109.5°
H19CH20109.5°109.5°
H19CH21109.5°109.5°
H20CH21109.5°109.4°
H23C11H24109.4°110.2°
H25C14H26109.5°109.4°
H28C19H29109.5°109.5°
H32C23H33109.5°109.5°
H32C23H34109.4°109.5°
H33C23H34109.4°109.5°
H35C16H36109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O5C21C23C22116.1°120.0°
O5C21C23C18117.2°120.0°
O5C21C22C18116.3°120.0°
O5C21C18C1767.2°60.0°
O5C21C18C19165.4°59.7°
O5C21C22H15180.0°60.0°
O5C21C22H1660.0°60.0°
O5C21C22H1760.0°180.0°
O5C21C18H3049.0°179.9°
O5C21C23H32180.0°180.0°
O5C21C23H3360.0°60.0°
O5C21C23H3460.0°60.0°
O1SO2N1121.9°116.7°
O1SO2C6123.3°131.5°
O1SN1C6114.9°116.1°
O1SN1C5167.2°51.1°
O1SN1H170.8°129.2°
O1SC6H3180.0°68.4°
O1SC6H460.0°51.7°
O1SC6H560.0°171.6°
C23C21C22C18126.3°120.0°
C23C21C18C17174.3°180.0°
C23C21C18C1947.0°60.3°
C23C21C22H1562.6°60.1°
C23C21C22H16177.4°180.0°
C23C21C22H1757.4°60.0°
C23C21C18H3069.4°59.9°
C23C21O5H31180.0°60.0°
C21C23H32H33120.0°120.0°
C21C23H32H34120.0°120.0°
C21C23H33H34120.0°119.9°
C22C21C18C1749.1°60.0°
C22C21C18C1978.2°179.7°
C21C22H15H16120.0°120.0°
C21C22H15H17120.0°120.0°
C21C22H16H17120.0°120.0°
C22C21C18H30165.4°60.1°
C22C21O5H3161.5°180.0°
C22C21C23H3263.9°60.0°
C22C21C23H3356.1°180.0°
C22C21C23H34176.1°60.0°
C21C18C17C19129.6°119.9°
C21C18C17H30116.2°120.1°
C21C18C19H30116.2°120.2°
C21C18C17C16175.9°177.6°
C21C18C19C20175.7°177.5°
C21C18C17H1155.9°62.5°
C21C18C17H1264.0°57.6°
C18C21C22H1563.7°180.0°
C18C21C22H1656.3°60.0°
C18C21C22H17176.3°60.0°
C21C18C19H2864.2°62.5°
C21C18C19H2955.5°57.6°
C18C21O5H3159.1°60.0°
C18C21C23H3262.8°60.0°
C18C21C23H33177.2°60.0°
C18C21C23H3457.2°180.0°
O2SN1C6116.1°116.1°
O2SN1C563.8°178.9°
O2SN1H158.2°1.4°
O2SC6H350.3°68.3°
O2SC6H4170.3°171.6°
O2SC6H569.7°51.7°
SN1C5H1122.0°179.7°
SN1C5C445.3°35.3°
SN1C5C1137.9°144.7°
N1SC6H365.8°180.0°
N1SC6H454.2°60.0°
N1SC6H5174.3°60.0°
C6SN1C552.3°65.0°
C6SN1H1174.3°114.7°
SC6H3H4120.0°120.0°
SC6H3H5120.0°120.0°
SC6H4H5120.0°119.9°
N1C5C1O3.9°0.0°
N1C5C4C1176.8°180.0°
N1C5C4C3175.9°179.9°
N1C5C1N179.7°180.0°
N1C5C4H24.1°0.3°
C17C18C19H30114.0°119.9°
C18C17C16H11120.0°119.9°
C18C17C16H12120.1°120.0°
C18C17C16N257.8°59.2°
C17C18C19C2054.6°57.7°
C18C17H11H12119.9°120.1°
C17C18C19H2865.6°177.6°
C17C18C19H29174.7°62.3°
C18C17C16H3562.4°60.9°
C18C17C16H36178.0°179.2°
C19C18C17C1654.5°57.6°
C18C19C20H28120.1°120.0°
C18C19C20H29120.1°120.0°
C18C19C20N258.4°59.2°
C19C18C17H11174.5°177.6°
C19C18C17H1265.6°62.3°
C18C19C20H13178.7°60.8°
C18C19C20H1461.9°179.2°
C18C19H28H29119.6°120.1°
C17C16N2H35120.2°120.1°
C17C16N2H36120.2°120.0°
C17C16N2C2060.9°61.8°
C17C16N2C15168.1°174.2°
C16C17H11H12119.9°120.1°
C16C17C18H3059.7°62.3°
C17C16H35H36119.4°119.9°
C16N2C20C1961.1°61.7°
C16N2C20C15131.2°124.1°
C16N2C15C1479.8°65.8°
C16N2C15H941.3°54.2°
C16N2C15H10159.2°174.2°
N2C16C17H11177.8°179.1°
N2C16C17H1262.3°60.8°
C16N2C20H13178.7°58.3°
C16N2C20H1459.2°178.3°
N2C16H35H36119.4°120.0°
COC1C5170.2°180.0°
COC1N5.6°0.0°
OCH19H20120.0°120.0°
OCH19H21120.0°120.0°
OCH20H21120.0°120.0°
OC1C5C4173.0°180.0°
OC1C5N175.7°180.0°
OC1NC2172.3°179.7°
C1OCH19180.0°60.0°
C1OCH2060.0°60.0°
C1OCH2160.0°180.0°
C5C4C3H2180.0°179.7°
C4C5C1N2.7°0.0°
C5C4C3C23.6°0.2°
C5C4C3C7175.1°179.7°
C4C5N1H176.7°145.0°
C1C5C4C30.9°0.0°
C5C1NC23.3°0.3°
C1C5N1H1100.1°34.9°
C1C5C4H2179.1°179.7°
C19C20N2H13120.3°120.0°
C19C20N2H14120.3°120.0°
C19C20N2C15167.8°174.2°
C19C20H13H14119.2°120.0°
C20C19H28H29119.6°120.0°
C20C19C18H3059.4°62.3°
C4C3C2C7178.7°180.0°
C4C3C2N3.2°0.5°
C4C3C7C2428.5°0.3°
C4C3C7C8151.3°179.9°
C4C3C2H22176.7°179.9°
C1NC2C30.2°0.6°
C1NC2H22179.8°180.0°
C20N2C15C1449.0°170.0°
C20N2C15H9170.1°70.0°
C20N2C15H1072.0°50.1°
N2C20H13H14119.2°120.0°
N2C20C19H2861.7°179.2°
N2C20C19H29178.5°60.8°
C20N2C16H3559.3°58.3°
C20N2C16H36178.9°178.2°
N2C15C14H9121.1°120.0°
N2C15C14H10121.1°120.0°
N2C15C14O480.6°65.0°
N2C15H9H10116.7°120.0°
C15N2C20H1347.5°65.8°
C15N2C20H1472.0°54.2°
N2C15C14H2539.5°175.0°
N2C15C14H26159.4°55.0°
C15N2C16H3571.7°65.8°
C15N2C16H3647.8°54.1°
C3C2NH22180.0°179.4°
C2C3C7C24152.8°179.7°
C2C3C7C827.4°0.0°
C2C3C4H2176.4°180.0°
C7C3C2N175.5°179.4°
C3C7C24C8179.8°179.7°
C3C7C24C13179.6°179.8°
C3C7C8C9179.0°179.7°
C7C3C4H24.9°0.0°
C3C7C8H61.0°0.3°
C3C7C24H180.4°0.3°
C7C3C2H224.5°0.0°
C15C14O4H25120.1°120.0°
C15C14O4H26120.1°120.1°
C15C14O4C13171.7°179.9°
C14C15H9H10116.7°120.0°
C15C14H25H26119.8°120.0°
C14O4C13C2410.5°0.1°
C14O4C13C12167.0°180.0°
O4C14C15H9158.4°175.0°
O4C14C15H1040.5°55.0°
O4C14H25H26119.8°120.0°
C7C24C13H18180.0°179.9°
C7C24C13O4176.4°180.0°
C7C24C13C121.0°0.0°
C24C7C8C90.8°0.1°
C24C7C8H6179.2°180.0°
C13C24C7C80.2°0.1°
C24C13O4C12177.4°179.9°
C24C13C12C91.6°0.0°
C24C13C12C11177.3°180.0°
C7C8C9H6180.0°179.9°
C7C8C9C120.2°0.0°
C7C8C9C10176.8°180.0°
C8C7C24H18179.8°180.0°
O4C13C12C9176.0°179.9°
O4C13C12C115.1°0.0°
O4C13C24H183.6°0.1°
C13O4C14H2568.3°60.0°
C13O4C14H2651.6°60.0°
C13C12C9C81.0°0.1°
C13C12C9C11179.1°179.9°
C13C12C9C10176.3°180.0°
C13C12C11O3174.6°162.3°
C12C13C24H18179.0°180.0°
C13C12C11H2366.1°78.6°
C13C12C11H2455.3°43.2°
C8C9C12C10177.3°180.0°
C8C9C12C11178.1°180.0°
C8C9C10O3171.3°162.2°
C8C9C10H752.0°78.6°
C8C9C10H869.4°43.2°
C9C12C11O34.4°17.8°
C12C9C10O311.7°17.7°
C12C9C8H6179.8°179.9°
C12C9C10H7131.1°101.4°
C12C9C10H8107.6°136.8°
C9C12C11H23114.9°101.3°
C9C12C11H24123.7°136.9°
C11C12C9C104.6°0.0°
C12C11O3H23119.3°119.1°
C12C11O3H24119.3°119.1°
C12C11O3C1012.1°28.6°
C12C11H23H24122.0°121.8°
C9C10O3C1114.8°28.5°
C9C10O3H7119.3°119.1°
C9C10O3H8119.3°119.0°
C10C9C8H63.2°0.0°
C9C10H7H8122.0°121.7°
C11O3C10H7134.1°90.6°
C11O3C10H8104.5°147.6°
O3C11H23H24122.0°121.7°
O3C10H7H8122.0°121.8°
C10O3C11H23107.2°90.6°
C10O3C11H24131.5°147.7°
H3C6H4H5119.9°120.0°
H9C15C14H2581.6°55.0°
H9C15C14H2638.3°65.0°
H10C15C14H25160.6°65.0°
H10C15C14H2679.6°175.1°
H11C17C18H3060.4°57.6°
H11C17C16H3557.6°59.1°
H11C17C16H3661.9°60.9°
H12C17C18H30179.8°177.8°
H12C17C16H35177.5°179.2°
H12C17C16H3657.9°59.3°
H13C20C19H2858.5°59.1°
H13C20C19H2961.2°179.2°
H14C20C19H28178.0°60.8°
H14C20C19H2958.2°59.2°
H15C22H16H17120.0°120.1°
H19CH20H21120.0°120.1°
H28C19C18H30179.6°57.7°
H29C19C18H3060.7°177.8°
H32C23H33H34120.0°120.0°

222415

PDB entries from 2024-07-10

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