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VR3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C13sing1.53Å1.53Å
CC5sing1.53Å1.58Å
C13C14sing1.50Å1.55Å
C13C16sing1.52Å1.57Å
C13C12sing1.55Å1.50Å
C11C14sing1.54Å1.52Å
C11C7sing1.53Å1.54Å
C16C18sing1.55Å1.55Å
C5C10sing1.53Å1.52Å
C5C7sing1.52Å1.58Å
C5C4sing1.50Å1.46Å
C18C17sing1.56Å1.56Å
C9C7sing1.54Å1.53Å
C9C12sing1.52Å1.57Å
C9C8sing1.54Å1.50Å
C10C1sing1.53Å1.48Å
C1C2sing1.53Å1.50Å
C17C12sing1.53Å1.55Å
C4C3sing1.52Å1.44Å
C4C6doub1.30Å1.39Å
C3C2sing1.53Å1.54Å
C8C6sing1.50Å1.45Å
C2O25sing1.43Å1.50Å
O25S22sing1.52Å1.57Å
N19S22sing1.66Å1.52Å
O20S22doub1.42Å1.52Å
S22O21doub1.42Å1.47Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C6H6sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C16H22sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C17H24sing1.09Å1.10Å
C18H25sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
CH27sing1.09Å1.10Å
CH28sing1.09Å1.10Å
CH29sing1.09Å1.10Å
N19H30sing0.97Å1.00Å
N19H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C13C14110.9°109.8°
C15C13C16109.1°109.8°
C15C13C12114.8°109.9°
C13C15H18109.5°109.5°
C13C15H19109.5°109.5°
C13C15H20109.5°109.4°
CC5C10109.0°108.1°
CC5C7111.9°108.2°
CC5C4109.0°107.6°
C5CH27109.5°109.5°
C5CH28109.5°109.4°
C5CH29109.5°109.4°
C14C13C16114.2°116.5°
C14C13C12108.1°107.2°
C13C14C11112.2°107.3°
C13C14H16108.8°110.1°
C13C14H17108.8°109.6°
C16C13C1299.4°103.3°
C13C16C18103.2°105.4°
C13C16H21111.0°110.2°
C13C16H22111.0°110.3°
C13C12C9113.3°107.3°
C13C12C17103.3°102.3°
C13C12H15108.6°110.4°
C14C11C7113.9°111.8°
C14C11H13108.4°109.0°
C14C11H14108.3°109.0°
C11C14H16108.8°109.9°
C11C14H17108.8°110.0°
C11C7C5111.6°109.7°
C11C7C9114.4°111.4°
C11C7H7107.6°108.4°
C7C11H13108.4°109.0°
C7C11H14108.4°109.0°
C16C18C17106.7°106.7°
C18C16H21111.0°110.3°
C18C16H22111.0°110.3°
C16C18H25110.2°110.1°
C16C18H26110.2°110.1°
C10C5C7106.7°110.0°
C10C5C4110.1°109.4°
C5C10C1111.5°109.4°
C5C10H11109.0°109.5°
C5C10H12109.0°109.5°
C7C5C4110.1°113.3°
C5C7C9108.5°110.5°
C5C7H7107.0°108.4°
C5C4C3120.1°117.9°
C5C4C6120.3°123.9°
C18C17C12101.0°102.4°
C18C17H23111.6°110.9°
C18C17H24111.6°111.2°
C17C18H25110.2°109.8°
C17C18H26110.1°110.0°
C7C9C12107.0°107.6°
C7C9C8108.2°107.6°
C9C7H7107.5°108.4°
C7C9H10110.6°110.3°
C12C9C8109.6°109.3°
C9C12C17115.8°115.8°
C12C9H10110.2°110.2°
C9C12H15107.7°110.3°
C9C8C6112.8°109.1°
C9C8H8108.6°109.4°
C9C8H9108.6°109.8°
C8C9H10111.2°111.8°
C10C1C2105.9°109.7°
C10C1H1110.3°109.4°
C10C1H2110.3°109.4°
C1C10H11109.0°109.5°
C1C10H12109.0°109.4°
C1C2C3107.7°109.4°
C1C2O25107.8°109.5°
C2C1H1110.4°109.4°
C2C1H2110.4°109.4°
C1C2H3110.2°109.5°
C17C12H15107.9°110.4°
C12C17H23111.5°110.8°
C12C17H24111.5°110.7°
C3C4C6119.6°118.3°
C4C3C2110.2°108.4°
C4C3H4109.3°109.7°
C4C3H5109.3°109.8°
C4C6C8125.4°123.0°
C4C6H6117.3°118.5°
C3C2O25111.2°109.5°
C3C2H3109.6°109.5°
C2C3H4109.3°109.6°
C2C3H5109.3°109.7°
C8C6H6117.3°118.5°
C6C8H8108.6°109.5°
C6C8H9108.7°109.5°
C2O25S22121.2°114.0°
O25C2H3110.3°109.5°
O25S22N1998.6°107.2°
O25S22O20108.0°106.4°
O25S22O21112.5°106.4°
N19S22O20114.7°106.4°
N19S22O21109.0°106.4°
S22N19H30109.5°120.0°
S22N19H31109.4°120.0°
O20S22O21113.3°123.2°
H1C1H2109.5°109.4°
H4C3H5109.5°109.7°
H8C8H9109.5°109.5°
H11C10H12109.5°109.5°
H13C11H14109.5°108.9°
H16C14H17109.5°109.9°
H18C15H19109.5°109.5°
H18C15H20109.5°109.4°
H19C15H20109.5°109.5°
H21C16H22109.4°110.3°
H23C17H24109.5°110.6°
H25C18H26109.5°110.1°
H27CH28109.5°109.5°
H27CH29109.4°109.5°
H28CH29109.5°109.5°
H30N19H31109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C13C14C16123.8°125.6°
C15C13C14C12126.6°119.3°
C15C13C16C12120.5°117.1°
C15C13C14C1171.3°54.6°
C15C13C16C1879.6°88.2°
C15C13C12C961.6°49.3°
C15C13C12C1764.4°73.0°
C15C13C12H15178.8°169.5°
C15C13C14H1649.1°174.2°
C15C13C14H17168.3°64.8°
C13C15H18H19120.0°120.0°
C13C15H18H20120.0°119.9°
C13C15H19H20120.0°119.9°
C15C13C16H21161.3°152.8°
C15C13C16H2239.4°30.8°
CC5C7C1158.6°41.5°
CC5C10C7121.0°118.0°
CC5C10C4119.5°116.9°
CC5C7C4121.5°119.3°
CC5C7C968.2°81.7°
CC5C10C168.9°62.7°
CC5C4C378.4°66.1°
CC5C4C699.9°113.7°
CC5C7H7176.0°159.7°
CC5C10H1151.4°177.4°
CC5C10H12170.8°57.3°
C5CH27H28120.0°120.0°
C5CH27H29120.0°120.0°
C5CH28H29120.0°119.9°
C14C13C16C12114.8°117.3°
C13C14C11H16120.4°119.7°
C13C14C11H17120.4°119.1°
C13C14C11C748.7°57.7°
C14C13C16C18155.7°146.2°
C14C13C12C962.7°70.0°
C14C13C12C17171.3°167.7°
C13C14C11H1371.9°178.3°
C13C14C11H14169.4°62.8°
C14C13C12H1556.9°50.2°
C13C14H16H17118.8°120.8°
C14C13C15H18180.0°60.6°
C14C13C15H1960.0°179.3°
C14C13C15H2060.0°59.3°
C14C13C16H2136.6°27.2°
C14C13C16H2285.3°94.8°
C16C13C14C11164.9°179.8°
C13C16C18H21119.0°119.0°
C13C16C18H22119.0°119.0°
C13C16C18C1715.4°3.6°
C16C13C12C9177.8°166.4°
C16C13C12C1751.8°44.2°
C16C13C12H1562.6°73.3°
C16C13C14H1674.7°60.2°
C16C13C14H1744.5°60.8°
C16C13C15H1853.4°170.0°
C16C13C15H1966.7°50.0°
C16C13C15H20173.3°70.0°
C13C16H21H22122.9°122.0°
C13C16C18H25134.9°122.6°
C13C16C18H26104.2°115.8°
C12C13C14C1155.3°64.7°
C12C13C16C1840.8°29.0°
C13C12C17C1842.0°41.0°
C13C12C9C760.2°63.9°
C13C12C9C17119.0°113.5°
C13C12C9H15120.1°120.3°
C13C12C9C8177.3°179.5°
C13C12C17H15114.9°117.5°
C13C12C9H1060.1°56.3°
C12C13C14H16175.7°54.8°
C12C13C14H1765.1°175.9°
C12C13C15H1857.2°57.1°
C12C13C15H19177.2°63.0°
C12C13C15H2062.8°177.0°
C12C13C16H2178.2°90.1°
C12C13C16H22159.8°147.9°
C13C12C17H23160.6°77.2°
C13C12C17H2476.6°159.7°
C14C11C7H13120.6°120.6°
C14C11C7H14120.6°120.6°
C14C11C7C5171.5°176.8°
C14C11C7C947.9°54.2°
C14C11C7H771.4°65.0°
C14C11H13H14118.0°118.9°
C11C14H16H17118.7°121.2°
C11C7C5C1060.5°76.4°
C11C7C5C9126.9°123.2°
C11C7C5H7117.4°118.2°
C11C7C5C4179.9°160.7°
C11C7C9H7119.4°119.2°
C11C7C9C1250.6°56.8°
C11C7C9C8168.6°174.4°
C11C7C9H1069.4°63.5°
C7C11H13H14118.0°118.9°
C7C11C14H16169.1°61.9°
C7C11C14H1771.7°176.9°
C16C18C17H25119.6°119.3°
C16C18C17H26119.6°119.4°
C16C18C17C1215.1°23.5°
C18C16H21H22122.9°122.1°
C16C18C17H23133.7°94.7°
C16C18C17H24103.5°141.7°
C16C18H25H26121.3°121.6°
C10C5C7C4119.4°122.8°
C10C5C7C9172.7°160.4°
C5C10C1H11120.3°120.0°
C5C10C1H12120.3°120.0°
C5C10C1C265.9°62.8°
C10C5C4C341.1°51.1°
C10C5C4C6140.6°129.1°
C5C10C1H153.6°177.1°
C5C10C1H2174.7°57.2°
C10C5C7H756.9°41.8°
C5C10H11H12119.1°120.1°
C10C5CH27180.0°60.0°
C10C5CH2860.0°180.0°
C10C5CH2960.0°60.0°
C5C7C9H7115.4°118.6°
C5C7C9C12175.8°179.0°
C5C7C9C866.2°63.4°
C7C5C10C1170.0°179.4°
C7C5C4C3158.5°174.3°
C7C5C4C623.2°5.9°
C5C7C9H1055.8°58.8°
C7C5C10H1169.7°59.4°
C7C5C10H1249.8°60.7°
C5C7C11H1350.8°62.6°
C5C7C11H1467.9°56.2°
C7C5CH2762.3°179.1°
C7C5CH2857.8°60.9°
C7C5CH29177.8°59.1°
C4C5C7C953.2°37.5°
C4C5C10C150.6°54.3°
C5C4C3C6178.3°179.8°
C5C4C3C244.8°51.5°
C5C4C6C85.6°0.6°
C5C4C3H4164.9°68.2°
C5C4C3H575.3°171.2°
C5C4C6H6174.4°179.5°
C4C5C7H762.5°81.1°
C4C5C10H11170.9°65.7°
C4C5C10H1269.7°174.2°
C4C5CH2759.8°58.1°
C4C5CH28179.8°61.9°
C4C5CH2960.1°178.1°
C18C17C12C9166.4°157.4°
C18C17C12H23118.6°118.3°
C18C17C12H24118.6°118.6°
C18C17C12H1572.8°76.4°
C17C18C16H21103.7°115.4°
C17C18C16H22134.4°122.5°
C18C17H23H24124.0°123.9°
C17C18H25H26121.2°121.2°
C7C9C12C8117.1°116.6°
C7C9C12H10120.3°120.2°
C7C9C8H10121.7°121.2°
C7C9C12C17179.2°177.4°
C7C9C8C647.5°56.4°
C7C9C8H873.0°176.2°
C7C9C8H9168.0°63.6°
C9C7C11H1372.7°174.7°
C9C7C11H14168.5°66.4°
C7C9C12H1559.9°56.3°
C12C9C8H10122.0°122.3°
C9C12C17H15120.7°126.2°
C12C9C8C6163.8°173.0°
C12C9C7H768.8°62.4°
C12C9C8H843.4°67.3°
C12C9C8H975.7°52.9°
C9C12C17H2375.0°39.1°
C9C12C17H2447.8°84.0°
C8C9C12C1763.7°66.0°
C9C8C6C417.8°26.7°
C9C8C6H8120.5°119.7°
C9C8C6H9120.5°120.2°
C9C8C6H6162.2°153.4°
C8C9C7H749.2°55.2°
C9C8H8H9118.5°120.4°
C8C9C12H1557.2°60.2°
C10C1C2H1119.4°120.1°
C10C1C2H2119.4°120.1°
C10C1C2C367.6°63.8°
C10C1C2O25172.4°176.2°
C10C1H1H2121.6°119.9°
C10C1C2H352.0°56.2°
C1C10H11H12119.1°120.0°
C1C2C3C456.5°55.2°
C1C2C3O25117.9°120.0°
C1C2C3H3120.0°120.0°
C1C2O25H3120.4°120.0°
C1C2O25S22161.5°145.0°
C2C1H1H2121.7°119.9°
C1C2C3H4176.6°64.5°
C1C2C3H563.6°175.0°
C2C1C10H11173.8°57.2°
C2C1C10H1254.4°177.2°
C17C12C9H1058.9°57.2°
C12C17H23H24123.9°123.1°
C12C17C18H25104.5°95.8°
C12C17C18H26134.6°142.9°
C4C3C2H4120.1°119.7°
C4C3C2H5120.1°119.8°
C3C4C6C8176.1°179.6°
C4C3C2O25174.4°175.2°
C4C3C2H363.4°64.8°
C4C3H4H5119.7°120.6°
C3C4C6H63.9°0.3°
C6C4C3C2136.9°128.7°
C4C6C8H6180.0°179.9°
C6C4C3H416.8°111.6°
C6C4C3H5103.0°9.0°
C4C6C8H8102.7°146.4°
C4C6C8H9138.3°93.5°
C3C2O25H3121.8°120.0°
C3C2O25S2280.7°95.0°
C3C2C1H151.8°176.2°
C3C2C1H2173.0°56.3°
C2C3H4H5119.7°120.5°
C6C8H8H9118.5°120.1°
C6C8C9H1074.2°64.7°
C2O25S22N19153.2°75.0°
C2O25S22O2087.3°171.5°
C2O25S22O2138.4°38.5°
O25C2C1H168.2°56.2°
O25C2C1H253.0°63.7°
O25C2C3H465.5°55.5°
O25C2C3H554.3°65.0°
O25S22N19O20114.4°113.5°
O25S22N19O21117.4°113.5°
O25S22O20O21125.2°123.0°
S22O25C2H341.2°25.0°
O25S22N19H30180.0°0.0°
O25S22N19H3160.0°180.0°
N19S22O20O21126.0°123.0°
S22N19H30H31120.0°180.0°
O20S22N19H3065.6°113.5°
O20S22N19H3154.4°66.5°
O21S22N19H3062.6°113.5°
O21S22N19H31177.4°66.5°
H1C1C2H3171.4°63.8°
H1C1C10H1166.7°62.9°
H1C1C10H12173.9°57.2°
H2C1C2H367.4°176.3°
H2C1C10H1154.4°177.2°
H2C1C10H1265.0°62.8°
H3C2C3H456.6°175.5°
H3C2C3H5176.4°55.0°
H6C6C8H877.3°33.7°
H6C6C8H941.7°86.4°
H7C7C9H10171.2°177.4°
H7C7C11H13167.9°55.6°
H7C7C11H1449.2°174.4°
H8C8C9H10165.4°55.0°
H9C8C9H1046.3°175.2°
H10C9C12H15179.8°176.6°
H13C11C14H1648.5°58.7°
H13C11C14H17167.7°62.5°
H14C11C14H1670.2°177.5°
H14C11C14H1749.0°56.3°
H15C12C17H2345.8°165.3°
H15C12C17H24168.5°42.2°
H18C15H19H20120.0°120.0°
H21C16C18H2515.9°3.7°
H21C16C18H26136.8°125.3°
H22C16C18H25106.1°118.4°
H22C16C18H2614.8°3.2°
H23C17C18H2514.1°146.0°
H23C17C18H26106.8°24.7°
H24C17C18H25136.9°22.4°
H24C17C18H2616.0°98.9°
H27CH28H29120.0°120.1°

225946

PDB entries from 2024-10-09

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