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NJX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O16C11sing1.34Å1.39Å
O10C8doub1.22Å1.20Å
C7C6sing1.51Å1.54Å
C11C12sing1.50Å1.52Å
C11C9doub1.37Å1.33Å
C8C9sing1.47Å1.51Å
C8C1sing1.48Å1.52Å
O22C21doub1.22Å1.19Å
C12C13sing1.53Å1.53Å
C9C15sing1.47Å1.52Å
C6C1doub1.39Å1.39ÅAromatic
C6C5sing1.39Å1.41ÅAromatic
C1C2sing1.40Å1.37ÅAromatic
C21C5sing1.48Å1.38Å
C21N20sing1.35Å1.32Å
C5C4doub1.41Å1.38ÅAromatic
C25N20sing1.47Å1.46Å
C25C26sing1.47Å1.52Å
C15O17doub1.21Å1.19Å
C15C14sing1.51Å1.52Å
C13C14sing1.53Å1.53Å
N20C19sing1.34Å1.36Å
C2C3doub1.37Å1.38ÅAromatic
C4C3sing1.39Å1.40ÅAromatic
C4N18sing1.38Å1.32Å
C26C27trip1.17Å1.18Å
C19N18sing1.34Å1.36Å
C19O23doub1.22Å1.19Å
N18C24sing1.47Å1.46Å
C27SIsing1.90Å1.89Å
C29SIsing1.86Å1.89Å
C30SIsing1.86Å1.89Å
SIC31sing1.86Å1.89Å
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C24H3sing1.09Å1.10Å
C24H4sing1.09Å1.10Å
C24H5sing1.09Å1.10Å
C2H6sing1.08Å1.08Å
C3H7sing1.08Å1.08Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C29H19sing1.09Å1.10Å
C29H20sing1.09Å1.10Å
C29H21sing1.09Å1.10Å
C30H22sing1.09Å1.10Å
C30H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
C31H25sing1.09Å1.10Å
C31H26sing1.09Å1.10Å
C31H27sing1.09Å1.10Å
O16H28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O16C11C12116.5°118.7°
O16C11C9122.2°118.7°
C11O16H28109.5°117.1°
O10C8C9119.0°120.0°
O10C8C1112.1°120.0°
C7C6C1116.1°120.4°
C7C6C5124.4°120.4°
C6C7H8109.5°109.5°
C6C7H9109.5°109.5°
C6C7H10109.4°109.5°
C12C11C9121.2°122.6°
C11C12C13109.9°111.1°
C11C12H13109.4°109.2°
C11C12H14109.4°109.2°
C11C9C8120.9°120.0°
C11C9C15120.2°120.0°
C9C8C1128.7°119.9°
C8C9C15117.3°120.0°
C8C1C6119.5°119.9°
C8C1C2118.2°120.0°
O22C21C5124.2°120.9°
O22C21N20114.8°120.9°
C12C13C14111.3°109.2°
C12C13H1109.0°109.5°
C12C13H2109.0°109.5°
C13C12H13109.4°109.1°
C13C12H14109.4°109.1°
C9C15O17119.6°121.1°
C9C15C14117.5°117.7°
C1C6C5119.5°119.3°
C6C1C2121.9°120.1°
C6C5C21124.3°121.7°
C6C5C4117.9°120.1°
C1C2C3118.8°120.6°
C1C2H6120.6°119.7°
C5C21N20121.0°118.2°
C21C5C4117.7°118.2°
C21N20C25116.9°119.4°
C21N20C19120.3°121.2°
C5C4C3121.5°119.8°
C5C4N18120.8°118.7°
N20C25C26119.5°109.5°
C25N20C19122.8°119.4°
N20C25H17106.9°109.5°
N20C25H18106.9°109.5°
C25C26C27175.1°180.0°
C26C25H17106.9°109.4°
C26C25H18106.9°109.5°
O17C15C14123.0°121.2°
C15C14C13110.3°107.5°
C15C14H15109.3°109.9°
C15C14H16109.3°109.9°
C14C13H1109.0°109.6°
C14C13H2109.0°109.5°
C13C14H15109.2°109.8°
C13C14H16109.3°109.8°
N20C19N18119.6°122.9°
N20C19O23120.5°118.5°
C2C3C4120.3°120.1°
C3C2H6120.6°119.7°
C2C3H7119.9°120.0°
C3C4N18117.7°121.5°
C4C3H7119.8°119.9°
C4N18C19120.6°120.7°
C4N18C24119.4°119.6°
C26C27SI178.4°180.0°
N18C19O23119.9°118.5°
C19N18C24120.0°119.7°
N18C24H3109.5°109.4°
N18C24H4109.4°109.4°
N18C24H5109.4°109.4°
C27SIC29109.1°109.4°
C27SIC30110.5°109.5°
C27SIC31108.5°109.5°
C29SIC30109.8°109.5°
C29SIC31109.9°109.5°
SIC29H19109.5°109.5°
SIC29H20109.5°109.5°
SIC29H21109.5°109.5°
C30SIC31109.2°109.5°
SIC30H22109.5°109.5°
SIC30H23109.5°109.4°
SIC30H24109.5°109.5°
SIC31H25109.5°109.5°
SIC31H26109.5°109.5°
SIC31H27109.5°109.4°
H1C13H2109.4°109.5°
H3C24H4109.5°109.5°
H3C24H5109.5°109.5°
H4C24H5109.5°109.5°
H8C7H9109.5°109.5°
H8C7H10109.5°109.4°
H9C7H10109.5°109.4°
H13C12H14109.5°109.1°
H15C14H16109.4°109.9°
H17C25H18109.5°109.5°
H19C29H20109.4°109.4°
H19C29H21109.5°109.5°
H20C29H21109.5°109.4°
H22C30H23109.5°109.5°
H22C30H24109.5°109.5°
H23C30H24109.5°109.5°
H25C31H26109.5°109.5°
H25C31H27109.5°109.4°
H26C31H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O16C11C12C9176.7°180.0°
O16C11C9C81.1°0.6°
O16C11C12C13156.5°158.0°
O16C11C9C15164.4°179.4°
O16C11C12H1383.4°37.6°
O16C11C12H1436.5°81.7°
O10C8C9C117.1°66.2°
O10C8C9C1175.1°179.9°
O10C8C9C15158.8°113.8°
O10C8C1C673.9°5.1°
O10C8C1C299.6°174.9°
C7C6C1C85.6°0.0°
C7C6C1C5179.3°180.0°
C7C6C1C2178.9°180.0°
C7C6C5C210.4°0.0°
C7C6C5C4179.6°180.0°
C6C7H8H9120.0°120.1°
C6C7H8H10120.0°120.0°
C6C7H9H10120.0°120.0°
C12C11C9C8175.4°179.5°
C11C12C13H13120.0°120.4°
C11C12C13H14120.0°120.4°
C12C11C9C1519.1°0.5°
C11C12C13C1457.0°53.4°
C11C12C13H1177.3°173.4°
C11C12C13H263.3°66.5°
C11C12H13H14119.8°119.3°
C12C11O16H28178.6°178.8°
C11C9C8C15165.9°180.0°
C11C9C8C1168.0°113.9°
C9C11C12C1320.2°22.0°
C11C9C15O17157.2°168.2°
C11C9C15C1422.0°11.8°
C9C11C12H1399.9°142.4°
C9C11C12H14140.2°98.4°
C9C11O16H281.9°1.2°
C9C8C1C6110.7°174.8°
C9C8C1C275.7°5.2°
C8C9C15O178.8°11.8°
C8C9C15C14172.0°168.2°
C1C8C9C1526.1°66.1°
C8C1C6C2173.3°180.0°
C8C1C6C5175.1°179.9°
C8C1C2C3175.1°180.0°
C8C1C2H64.9°0.1°
O22C21C5C61.1°0.2°
O22C21C5N20178.5°179.7°
O22C21C5C4179.7°179.7°
O22C21N20C252.5°0.3°
O22C21N20C19179.8°179.8°
C12C13C14C1553.6°63.2°
C12C13C14H1120.3°120.0°
C12C13C14H2120.3°119.9°
C12C13H1H2119.2°120.1°
C13C12H13H14119.8°119.2°
C12C13C14H15173.7°56.3°
C12C13C14H1666.6°177.3°
C9C15O17C14179.2°180.0°
C9C15C14C1315.1°42.7°
C9C15C14H15135.2°76.8°
C9C15C14H16105.1°162.2°
C1C6C5C21179.6°180.0°
C1C6C5C41.2°0.1°
C6C1C2C31.7°0.0°
C6C1C2H6178.3°179.9°
C1C6C7H889.7°86.3°
C1C6C7H9150.3°153.6°
C1C6C7H1030.3°33.6°
C5C6C1C21.8°0.0°
C6C5C21C4179.2°179.9°
C6C5C21N20179.6°180.0°
C6C5C4C30.4°0.0°
C6C5C4N18179.5°180.0°
C5C6C7H889.5°93.6°
C5C6C7H930.4°26.4°
C5C6C7H10150.4°146.4°
C1C2C3H6180.0°180.0°
C1C2C3C40.9°0.0°
C1C2C3H7179.1°179.9°
C5C21N20C25178.9°180.0°
C5C21N20C191.5°0.0°
C21C5C4C3179.7°180.0°
C21C5C4N181.2°0.0°
N20C21C5C41.2°0.0°
C21N20C25C19177.3°180.0°
C21N20C25C26119.4°90.0°
C21N20C19N181.8°0.1°
C21N20C19O23179.2°180.0°
C21N20C25H17119.2°30.0°
C21N20C25H182.0°150.0°
C5C4C3C20.3°0.0°
C5C4C3N18179.1°180.0°
C5C4N18C191.6°0.0°
C5C4N18C24179.9°179.9°
C5C4C3H7179.7°179.9°
N20C25C26H17121.4°120.0°
N20C25C26H18121.4°120.0°
N20C25C26C27169.2°18.0°
C25N20C19N18179.0°180.0°
C25N20C19O232.0°0.0°
N20C25H17H18115.5°120.0°
C26C25N20C1963.3°90.0°
C25C26C27SI40.2°80.6°
C26C25H17H18115.5°120.0°
O17C15C14C13165.7°137.3°
O17C15C14H1545.6°103.3°
O17C15C14H1674.1°17.8°
C15C14C13H15120.1°119.5°
C15C14C13H16120.2°119.5°
C15C14C13H1173.9°176.8°
C15C14C13H266.7°56.7°
C15C14H15H16119.7°121.0°
C14C13H1H2119.1°120.1°
C14C13C12H1363.0°173.8°
C14C13C12H14177.1°67.0°
C13C14H15H16119.6°121.0°
N20C19N18C41.9°0.1°
N20C19N18O23179.0°179.9°
N20C19N18C24179.6°180.0°
C19N20C25H1758.1°150.0°
C19N20C25H18175.3°30.0°
C2C3C4H7180.0°179.9°
C2C3C4N18179.4°180.0°
C3C4N18C19179.3°180.0°
C3C4N18C240.8°0.1°
C4C3C2H6179.1°180.0°
C4N18C19C24178.5°179.9°
C4N18C19O23179.1°180.0°
C4N18C24H3180.0°90.0°
C4N18C24H460.0°150.0°
C4N18C24H560.0°30.0°
N18C4C3H70.6°0.1°
C26C27SIC2928.9°117.4°
C26C27SIC3091.9°122.6°
C26C27SIC31148.5°2.6°
C27C26C25H1769.4°102.0°
C27C26C25H1847.8°138.0°
C19N18C24H31.5°90.0°
C19N18C24H4121.5°29.9°
C19N18C24H5118.5°149.9°
O23C19N18C240.6°0.1°
N18C24H3H4120.0°120.0°
N18C24H3H5120.0°120.0°
N18C24H4H5120.0°120.0°
C27SIC29C30121.2°120.0°
C27SIC29C31118.8°120.0°
C27SIC30C31119.2°120.0°
C27SIC29H19180.0°60.0°
C27SIC29H2060.0°180.0°
C27SIC29H2160.0°60.1°
C27SIC30H22180.0°60.1°
C27SIC30H2360.0°180.0°
C27SIC30H2460.0°60.0°
C27SIC31H25180.0°60.0°
C27SIC31H2660.0°180.0°
C27SIC31H2760.0°60.0°
C29SIC30C31120.5°120.0°
SIC29H19H20120.0°120.0°
SIC29H19H21120.0°120.1°
SIC29H20H21120.0°120.0°
C29SIC30H2259.7°180.0°
C29SIC30H23179.7°60.0°
C29SIC30H2460.3°60.0°
C29SIC31H2560.9°60.0°
C29SIC31H2659.2°60.0°
C29SIC31H27179.2°180.0°
C30SIC29H1958.8°59.9°
C30SIC29H2061.2°60.0°
C30SIC29H21178.8°180.0°
SIC30H22H23120.0°119.9°
SIC30H22H24120.0°120.0°
SIC30H23H24120.0°120.0°
C30SIC31H2559.6°180.0°
C30SIC31H26179.6°60.0°
C30SIC31H2760.4°60.0°
C31SIC29H1961.2°180.0°
C31SIC29H20178.8°60.0°
C31SIC29H2158.8°60.0°
C31SIC30H2260.8°60.0°
C31SIC30H2359.2°60.0°
C31SIC30H24179.2°180.0°
SIC31H25H26120.0°120.1°
SIC31H25H27120.0°120.0°
SIC31H26H27120.0°120.0°
H1C13C12H1357.3°66.2°
H1C13C12H1462.6°53.0°
H1C13C14H1566.0°63.7°
H1C13C14H1653.7°57.3°
H2C13C12H13176.7°53.9°
H2C13C12H1456.8°173.1°
H2C13C14H1553.4°176.2°
H2C13C14H16173.1°62.8°
H3C24H4H5120.0°120.1°
H6C2C3H70.9°0.1°
H8C7H9H10120.0°119.9°
H19C29H20H21120.0°120.0°
H22C30H23H24120.0°120.1°
H25C31H26H27120.0°120.0°

226262

PDB entries from 2024-10-16

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