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IUF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C28sing1.80Å1.80Å
CL3C28sing1.80Å1.80Å
C28CL2sing1.80Å1.80Å
C28C27sing1.53Å1.54Å
C27O26sing1.45Å1.44Å
O26C25sing1.35Å1.46Å
C25O32doub1.22Å1.22Å
C25N23sing1.35Å1.33Å
O21N20doub1.22Å1.38Å
N23C24sing1.48Å1.47Å
N23C3sing1.38Å1.42Å
O22N20sing1.22Å1.23Å
C24C10sing1.54Å1.53Å
N20C2sing1.48Å1.40Å
C3C2doub1.40Å1.40ÅAromatic
C3C4sing1.38Å1.36ÅAromatic
C2C1sing1.39Å1.40ÅAromatic
C10C4sing1.51Å1.47Å
C10C9sing1.52Å1.53Å
C4C5doub1.39Å1.36ÅAromatic
C9C8sing1.51Å1.54Å
C1C6doub1.39Å1.39ÅAromatic
C5C6sing1.37Å1.38ÅAromatic
C5C7sing1.50Å1.49Å
C8N14sing1.46Å1.49Å
C8C7sing1.52Å1.53Å
C15N14sing1.47Å1.48Å
N14C13sing1.47Å1.48Å
C7C11sing1.53Å1.53Å
C11C12sing1.53Å1.52Å
C13C12sing1.53Å1.52Å
C12C16sing1.51Å1.50Å
C16O17sing1.34Å1.43Å
C16O18doub1.21Å1.22Å
O17C19sing1.45Å1.42Å
C1H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C9H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C24H19sing1.09Å1.10Å
C24H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C28CL3110.7°109.5°
CL1C28CL2107.1°109.4°
CL1C28C27107.8°109.5°
CL3C28CL2108.3°109.5°
CL3C28C27108.4°109.5°
CL2C28C27114.4°109.5°
C28C27O26116.4°109.5°
C28C27H21107.7°109.5°
C28C27H22107.7°109.5°
C27O26C25122.5°117.0°
O26C27H21107.7°109.5°
O26C27H22107.7°109.4°
O26C25O32118.4°120.0°
O26C25N23117.9°120.0°
O32C25N23123.7°120.0°
C25N23C24121.8°124.9°
C25N23C3128.3°124.9°
O21N20O22119.0°120.0°
O21N20C2121.2°120.1°
C24N23C3109.7°110.2°
N23C24C1099.5°105.6°
N23C24H19111.9°110.3°
N23C24H20111.9°110.3°
N23C3C2136.4°132.2°
N23C3C4105.2°109.9°
O22N20C2119.8°120.0°
C24C10C4101.5°102.1°
C24C10C9114.4°113.2°
C24C10H7109.0°111.8°
C10C24H19111.9°110.2°
C10C24H20111.9°110.2°
N20C2C3126.1°121.3°
N20C2C1115.8°121.3°
C2C3C4118.4°117.8°
C3C2C1118.0°117.4°
C3C4C10112.2°111.0°
C3C4C5124.4°125.0°
C2C1C6122.0°123.3°
C2C1H1119.0°118.4°
C4C10C9113.0°106.9°
C10C4C5123.4°124.0°
C4C10H7109.7°111.3°
C10C9C8113.9°113.6°
C10C9H5108.4°108.7°
C10C9H6108.4°108.5°
C9C10H7109.0°111.1°
C4C5C6118.5°116.7°
C4C5C7115.8°113.3°
C9C8N14112.0°112.1°
C9C8C7114.3°117.4°
C9C8H4105.1°105.1°
C8C9H5108.3°108.6°
C8C9H6108.3°108.6°
C1C6C5118.6°119.7°
C6C1H1119.0°118.3°
C1C6H2120.7°120.2°
C6C5C7125.6°129.9°
C5C6H2120.7°120.1°
C5C7C8109.0°109.8°
C5C7C11113.1°111.2°
C5C7H3106.4°109.1°
N14C8C7113.5°109.9°
C8N14C15113.1°111.0°
C8N14C13112.9°110.7°
N14C8H4105.7°105.5°
C8C7C11115.8°109.3°
C8C7H3105.9°108.5°
C7C8H4105.2°105.8°
C15N14C13111.3°111.0°
N14C15H13109.5°109.5°
N14C15H14109.5°109.5°
N14C15H15109.5°109.4°
N14C13C12107.5°109.9°
N14C13H11109.9°109.4°
N14C13H12110.0°109.3°
C7C11C12111.1°108.6°
C11C7H3105.9°109.0°
C7C11H8109.1°109.6°
C7C11H9109.1°109.6°
C11C12C13109.2°109.7°
C11C12C16109.1°109.4°
C12C11H8109.1°109.6°
C12C11H9109.1°109.7°
C11C12H10109.0°109.4°
C13C12C16111.1°109.4°
C13C12H10109.0°109.4°
C12C13H11110.0°109.4°
C12C13H12109.9°109.4°
C12C16O17118.9°120.0°
C12C16O18123.4°120.0°
C16C12H10109.3°109.4°
O17C16O18117.6°119.9°
C16O17C19117.9°117.0°
O17C19H16109.5°109.4°
O17C19H17109.5°109.5°
O17C19H18109.5°109.5°
H5C9H6109.5°108.6°
H8C11H9109.5°109.7°
H11C13H12109.5°109.4°
H13C15H14109.5°109.5°
H13C15H15109.5°109.4°
H14C15H15109.4°109.5°
H16C19H17109.5°109.4°
H16C19H18109.4°109.4°
H17C19H18109.5°109.5°
H19C24H20109.5°110.2°
H21C27H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C28CL3CL2117.2°120.0°
CL1C28CL3C27118.1°120.0°
CL1C28CL2C27119.5°120.0°
CL1C28C27O26128.3°60.0°
CL1C28C27H21110.7°60.1°
CL1C28C27H227.3°180.0°
CL3C28CL2C27121.1°120.0°
CL3C28C27O26111.8°180.0°
CL3C28C27H219.2°60.0°
CL3C28C27H22127.2°60.0°
CL2C28C27O269.2°60.0°
CL2C28C27H21130.2°180.0°
CL2C28C27H22111.8°60.0°
C28C27O26H21121.0°120.1°
C28C27O26H22121.0°120.0°
C28C27O26C2598.3°180.0°
C28C27H21H22116.9°120.0°
C27O26C25O3228.6°5.5°
C27O26C25N23154.1°174.5°
O26C27H21H22116.9°119.9°
O26C25O32N23177.2°180.0°
O26C25N23C2424.8°3.8°
O26C25N23C3161.4°176.2°
C25O26C27H2122.7°59.9°
C25O26C27H22140.7°60.0°
O32C25N23C24152.4°176.2°
O32C25N23C321.4°3.8°
C25N23C24C3174.8°179.9°
C25N23C24C10141.1°174.0°
C25N23C3C228.7°3.4°
C25N23C3C4152.6°179.3°
C25N23C24H1922.8°67.0°
C25N23C24H20100.5°54.9°
O21N20O22C2178.3°180.0°
O21N20C2C324.9°109.9°
O21N20C2C1154.3°70.0°
N23C24C10H19118.3°119.1°
N23C24C10H20118.3°119.1°
C24N23C3C2157.0°176.7°
C24N23C3C421.8°0.8°
N23C24C10C431.2°9.6°
N23C24C10C9153.2°124.1°
N23C24C10H784.6°109.5°
N23C24H19H20124.6°122.0°
C3N23C24C1033.6°6.0°
N23C3C2N201.0°6.6°
N23C3C2C4178.7°175.6°
N23C3C2C1179.8°173.3°
N23C3C4C100.8°7.6°
N23C3C4C5179.2°171.4°
C3N23C24H19152.0°113.0°
C3N23C24H2084.7°125.1°
O22N20C2C3156.8°70.0°
O22N20C2C124.0°110.0°
C24C10C4C321.2°10.7°
C24C10C4C9122.9°119.1°
C24C10C4H7115.2°119.4°
C24C10C9H7122.3°126.8°
C24C10C4C5158.8°168.3°
C24C10C9C8140.3°151.9°
C24C10C9H599.0°30.8°
C24C10C9H619.7°87.1°
C10C24H19H20124.7°121.9°
N20C2C3C1179.2°179.9°
N20C2C3C4179.6°177.8°
N20C2C1C6179.5°179.3°
N20C2C1H10.5°0.5°
C2C3C4C10179.8°175.8°
C2C3C4C50.2°5.2°
C3C2C1C61.2°0.6°
C3C2C1H1178.8°179.6°
C4C3C2C11.2°2.3°
C3C4C10C5180.0°179.0°
C3C4C10C9144.1°129.8°
C3C4C5C60.9°4.7°
C3C4C5C7178.0°173.1°
C3C4C10H794.0°108.7°
C2C1C6H1180.0°179.8°
C2C1C6C50.2°1.1°
C2C1C6H2179.9°178.6°
C4C10C9H7122.3°121.6°
C4C10C9C824.9°40.3°
C10C4C5C6179.1°176.4°
C10C4C5C72.0°5.7°
C4C10C9H5145.5°80.8°
C4C10C9H695.7°161.3°
C4C10C24H19149.5°109.4°
C4C10C24H2087.2°128.8°
C9C10C4C535.9°49.2°
C10C9C8H5120.7°121.1°
C10C9C8H6120.7°120.9°
C10C9C8N14149.1°132.6°
C10C9C8C718.2°3.8°
C10C9C8H496.6°113.4°
C10C9H5H6118.0°117.9°
C9C10C24H1988.5°5.1°
C9C10C24H2034.8°116.7°
C4C5C6C10.8°1.4°
C4C5C6C7176.8°177.4°
C4C5C7C847.0°42.4°
C4C5C7C11177.3°163.5°
C4C5C6H2179.1°178.9°
C4C5C7H366.8°76.3°
C5C4C10H786.0°72.3°
C9C8C7C554.4°47.7°
C9C8N14C7131.3°132.5°
C9C8N14H4113.9°113.9°
C9C8C7H4114.8°116.9°
C9C8N14C157.8°70.7°
C9C8N14C13135.4°165.6°
C9C8C7C11176.7°169.9°
C9C8C7H359.7°71.4°
C8C9H5H6117.9°118.0°
C8C9C10H797.4°81.3°
C1C6C5H2180.0°179.6°
C1C6C5C7177.6°176.0°
C6C5C7C8136.2°135.0°
C6C5C7C115.8°14.0°
C5C6C1H1179.8°179.1°
C6C5C7H3110.0°106.2°
C5C7C8N14175.4°177.4°
C5C7C8C11128.9°122.2°
C5C7C8H3114.1°119.1°
C5C7C11H3116.1°120.3°
C5C7C11C12154.1°179.2°
C7C5C6H22.3°3.6°
C5C7C8H460.4°69.2°
C5C7C11H833.8°59.5°
C5C7C11H985.7°61.0°
N14C8C7H4115.0°113.4°
C8N14C15C13128.4°123.5°
N14C8C7C1146.6°60.4°
C8N14C13C1253.2°60.8°
N14C8C7H370.5°58.3°
N14C8C9H528.4°106.3°
N14C8C9H690.3°11.6°
C8N14C13H1166.5°59.3°
C8N14C13H12172.8°179.1°
C8N14C15H13180.0°74.9°
C8N14C15H1460.0°165.0°
C8N14C15H1560.0°45.0°
C7C8N14C15123.5°61.9°
C7C8N14C134.1°61.9°
C8C7C11H3117.1°118.4°
C8C7C11C1227.3°57.9°
C7C8C9H5102.4°125.0°
C7C8C9H6138.9°117.1°
C8C7C11H893.0°61.8°
C8C7C11H9147.5°177.7°
C15N14C13C12178.3°62.9°
C15N14C8H4121.7°175.5°
C15N14C13H1162.0°176.9°
C15N14C13H1258.6°57.2°
N14C15H13H14120.0°120.1°
N14C15H13H15120.0°119.9°
N14C15H14H15120.0°120.0°
N14C13C12C1172.4°58.5°
N14C13C12H11119.7°120.1°
N14C13C12H12119.7°120.0°
N14C13C12C16167.2°61.6°
C13N14C8H4110.7°51.7°
N14C13C12H1046.6°178.6°
N14C13H11H12120.9°119.7°
C13N14C15H1351.6°161.5°
C13N14C15H1468.4°41.4°
C13N14C15H15171.6°78.6°
C7C11C12H8120.2°119.7°
C7C11C12H9120.2°119.8°
C7C11C12C1329.7°57.2°
C7C11C12C16151.3°62.9°
C11C7C8H468.5°53.0°
C7C11H8H9119.3°120.4°
C7C11C12H1089.3°177.2°
C11C12C13C16120.4°120.1°
C11C12C13H10119.0°120.0°
C11C12C16H10119.1°119.9°
C11C12C16O1750.7°173.3°
C11C12C16O18130.6°6.7°
C12C11C7H389.8°60.5°
C12C11H8H9119.3°120.5°
C11C12C13H1147.3°61.6°
C11C12C13H12167.9°178.5°
C13C12C16H10120.4°119.8°
C13C12C16O17171.2°53.0°
C13C12C16O1810.1°127.0°
C13C12C11H8149.9°62.5°
C13C12C11H990.5°177.0°
C12C13H11H12120.9°119.9°
C12C16O17O18178.8°180.0°
C12C16O17C19174.6°179.9°
C16C12C11H888.4°177.4°
C16C12C11H931.1°56.9°
C16C12C13H1173.1°178.3°
C16C12C13H1247.5°58.4°
O17C16C12H1068.4°66.8°
C16O17C19H16180.0°60.1°
C16O17C19H1760.0°59.9°
C16O17C19H1860.0°180.0°
O18C16O17C196.5°0.1°
O18C16C12H10110.3°113.2°
O17C19H16H17120.0°120.0°
O17C19H16H18120.0°120.0°
O17C19H17H18120.0°120.1°
H1C1C6H20.2°1.2°
H3C7C8H4174.4°171.7°
H3C7C11H8150.0°179.7°
H3C7C11H930.5°59.3°
H4C8C9H5142.7°7.8°
H4C8C9H624.0°125.7°
H5C9C10H723.2°157.6°
H6C9C10H7141.9°39.7°
H7C10C24H1933.8°131.5°
H7C10C24H20157.1°9.7°
H8C11C12H1030.9°57.5°
H9C11C12H10150.4°63.0°
H10C12C13H11166.3°58.5°
H10C12C13H1273.1°61.4°
H13C15H14H15120.0°120.0°
H16C19H17H18120.0°120.0°

223790

PDB entries from 2024-08-14

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