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48H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O13C16sing1.43Å1.42Å
O12C15sing1.43Å1.42Å
C16C15sing1.55Å1.52Å
C16C17sing1.55Å1.52Å
C15C14sing1.54Å1.53Å
C17N2sing1.47Å1.47Å
C17O14sing1.44Å1.42Å
N3C1doub1.32Å1.34ÅAromatic
N3C2sing1.33Å1.35ÅAromatic
C1N4sing1.32Å1.35ÅAromatic
C14O14sing1.44Å1.41Å
C14C13sing1.53Å1.50Å
C2N2sing1.37Å1.32ÅAromatic
C2C3doub1.40Å1.46ÅAromatic
N2C5sing1.36Å1.35ÅAromatic
O2P1doub1.48Å1.49Å
N4C4doub1.33Å1.35ÅAromatic
O11C13sing1.43Å1.41Å
O11P1sing1.61Å1.58Å
O7C7sing1.43Å1.44Å
O1P1sing1.61Å1.50Å
P1O3sing1.61Å1.62Å
C5N6doub1.30Å1.36ÅAromatic
C3C4sing1.41Å1.47ÅAromatic
C3N6sing1.35Å1.33ÅAromatic
C4N5sing1.38Å1.35Å
O8C8doub1.21Å1.23Å
C7C8sing1.51Å1.49Å
C7C6sing1.53Å1.52Å
C8C9sing1.48Å1.45Å
O3P2sing1.61Å1.63Å
O6C6sing1.43Å1.43Å
O6P2sing1.61Å1.59Å
O5P2doub1.48Å1.50Å
C9N1doub1.29Å1.26Å
C9C10sing1.51Å1.50Å
P2O4sing1.61Å1.51Å
O10C12doub1.21Å1.27Å
N1C11sing1.46Å1.43Å
C12C11sing1.51Å1.50Å
C12O9sing1.34Å1.25Å
C1H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
O1H3sing0.97Å0.95Å
O4H4sing0.97Å0.95Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
O7H8sing0.97Å0.95Å
C10H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
O9H14sing0.97Å0.95Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
O12H19sing0.97Å0.95Å
C16H20sing1.09Å1.10Å
O13H21sing0.97Å0.95Å
C17H22sing1.09Å1.10Å
N5H23sing0.97Å1.00Å
N5H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O13C16C15111.4°110.9°
O13C16C17107.9°110.9°
O13C16H20112.3°110.9°
C16O13H21109.5°114.1°
O12C15C16110.2°110.6°
O12C15C14105.5°110.5°
O12C15H18112.6°110.5°
C15O12H19109.5°114.0°
C15C16C17103.1°102.1°
C16C15C14106.0°104.2°
C16C15H18111.2°110.5°
C15C16H20110.8°110.9°
C16C17N2116.6°110.6°
C16C17O14105.4°103.5°
C17C16H20110.9°110.9°
C16C17H22108.4°110.6°
C15C14O14106.1°107.3°
C15C14C13112.5°109.9°
C15C14H17108.6°110.0°
C14C15H18111.0°110.5°
N2C17O14107.8°110.6°
C17N2C2122.4°126.3°
C17N2C5128.8°126.3°
N2C17H22108.9°110.5°
C17O14C14109.7°107.0°
O14C17H22109.6°110.8°
C1N3C2120.5°120.7°
N3C1N4122.5°122.5°
N3C1H1118.8°118.8°
N3C2N2133.9°134.9°
N3C2C3120.1°119.1°
C1N4C4122.7°121.2°
N4C1H1118.7°118.7°
O14C14C13110.5°109.9°
O14C14H17110.1°109.9°
C14C13O11109.8°109.5°
C14C13H15109.4°109.4°
C14C13H16109.4°109.4°
C13C14H17109.0°109.9°
N2C2C3106.0°106.0°
C2N2C5108.8°107.4°
C2C3C4116.8°118.2°
C2C3N6107.7°107.1°
N2C5N6110.6°110.0°
N2C5H2124.7°125.0°
O2P1O11109.3°109.4°
O2P1O1118.5°109.5°
O2P1O3112.7°109.5°
N4C4C3117.4°118.4°
N4C4N5122.8°120.8°
C13O11P1118.5°123.0°
O11C13H15109.4°109.5°
O11C13H16109.4°109.5°
O11P1O1108.5°109.5°
O11P1O399.4°109.5°
O7C7C8110.2°109.5°
O7C7C6110.6°109.5°
O7C7H7110.2°109.4°
C7O7H8109.5°114.0°
O1P1O3106.7°109.5°
P1O1H3109.5°114.0°
P1O3P2129.4°134.0°
C5N6C3107.0°109.4°
N6C5H2124.7°125.0°
C4C3N6135.6°134.6°
C3C4N5119.8°120.8°
C4N5H23109.5°120.0°
C4N5H24109.5°120.0°
O8C8C7120.7°120.0°
O8C8C9117.6°120.0°
C8C7C6107.1°109.5°
C7C8C9121.6°120.0°
C8C7H7109.5°109.4°
C7C6O6110.2°109.5°
C7C6H5109.3°109.4°
C7C6H6109.3°109.5°
C6C7H7109.1°109.5°
C8C9N1113.0°120.0°
C8C9C10125.2°120.0°
O3P2O6105.9°109.5°
O3P2O5111.2°109.5°
O3P2O4102.7°109.5°
C6O6P2121.0°123.0°
O6C6H5109.3°109.5°
O6C6H6109.3°109.5°
O6P2O5110.9°109.5°
O6P2O4108.5°109.5°
O5P2O4117.0°109.5°
N1C9C10121.8°120.0°
C9N1C11131.6°120.0°
C9C10H9109.5°109.5°
C9C10H10109.5°109.5°
C9C10H11109.5°109.5°
P2O4H4109.5°114.0°
O10C12C11120.6°120.0°
O10C12O9124.0°120.0°
N1C11C12109.8°109.5°
N1C11H12109.4°109.5°
N1C11H13109.4°109.5°
C11C12O9115.3°120.0°
C12C11H12109.4°109.4°
C12C11H13109.4°109.5°
C12O9H14109.5°117.0°
H5C6H6109.5°109.4°
H9C10H10109.4°109.5°
H9C10H11109.5°109.5°
H10C10H11109.5°109.5°
H12C11H13109.4°109.5°
H15C13H16109.5°109.5°
H23N5H24109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O13C16C15O1218.0°20.4°
O13C16C15C17115.5°118.2°
O13C16C15H20125.8°123.7°
O13C16C17H20123.4°123.6°
O13C16C15C14131.7°139.1°
O13C16C17N293.8°86.3°
O13C16C17O14146.8°155.2°
O13C16C15H18107.6°102.2°
O13C16C17H2229.5°36.5°
O12C15C16C14113.6°118.7°
O12C15C16H18125.6°122.6°
O12C15C16C1797.5°97.8°
O12C15C14H18122.3°122.5°
O12C15C14O14118.8°120.8°
O12C15C14C13120.3°119.8°
O12C15C14H170.4°1.3°
O12C15C16H20143.9°144.0°
C15C16C17H20118.6°118.2°
C16C15C14H18120.8°118.7°
C15C16C17N2148.3°155.5°
C15C16C17O1428.8°37.0°
C16C15C14O141.9°2.0°
C16C15C14C13122.9°121.5°
C16C15C14H17116.5°117.4°
C16C15O12H19180.0°65.2°
C15C16O13H21180.0°61.5°
C15C16C17H2288.5°81.7°
C17C16C15C1416.2°20.9°
C16C17N2O14118.2°114.1°
C16C17N2H22123.0°122.9°
C16C17O14H22116.4°118.6°
C16C17O14C1432.1°40.1°
C16C17N2C2135.0°85.0°
C16C17N2C546.8°95.0°
C17C16C15H18136.9°139.6°
C17C16O13H2167.5°174.2°
C15C14O14C1721.2°26.5°
C15C14O14C13122.2°119.5°
C15C14O14H17117.4°119.6°
C15C14C13H17120.5°121.2°
C15C14C13O1169.0°175.7°
C15C14C13H1551.1°64.2°
C15C14C13H16171.0°55.7°
C14C15O12H1966.1°179.9°
C14C15C16H20102.5°97.3°
N2C17O14H22118.3°122.9°
C17N2C2N32.0°0.0°
N2C17O14C14157.3°158.5°
C17N2C2C5178.6°180.0°
C17N2C2C3179.0°180.0°
C17N2C5N6178.7°180.0°
C17N2C5H21.3°0.1°
N2C17C16H2029.7°37.4°
C17O14C14C13143.4°146.0°
O14C17N2C2106.8°161.0°
O14C17N2C571.4°19.0°
C17O14C14H1796.2°93.0°
O14C17C16H2089.8°81.1°
N3C1N4H1180.0°179.6°
C1N3C2N2178.8°179.9°
C1N3C2C30.1°0.0°
N3C1N4C40.9°0.3°
C2N3C1N40.3°0.0°
N3C2N2C3179.0°179.9°
N3C2N2C5179.4°180.0°
N3C2C3C41.1°0.3°
N3C2C3N6179.7°180.0°
C2N3C1H1179.7°179.6°
C1N4C4C32.0°0.6°
C1N4C4N5179.7°180.0°
O14C14C13H17121.1°121.0°
O14C14C13O11172.6°66.4°
O14C14C13H1567.3°53.6°
O14C14C13H1652.6°173.5°
O14C14C15H18118.9°116.7°
C14O14C17H2284.4°78.5°
C14C13O11H15120.1°120.0°
C14C13O11H16120.1°120.0°
C14C13O11P1145.6°180.0°
C14C13H15H16119.8°119.9°
C13C14C15H182.0°2.8°
C2N2C5N60.2°0.0°
N2C2C3C4179.7°179.7°
N2C2C3N60.5°0.0°
C2N2C5H2179.8°180.0°
C2N2C17H2212.0°37.9°
C3C2N2C50.4°0.0°
C2C3C4N42.1°0.5°
C2C3N6C50.3°0.0°
C2C3C4N6179.0°179.6°
C2C3C4N5179.6°180.0°
N2C5N6H2180.0°179.9°
N2C5N6C30.1°0.0°
C5N2C17H22169.8°142.1°
O2P1O11C13177.0°55.0°
O2P1O11O1130.6°120.0°
O2P1O11O3118.2°120.0°
O2P1O1O3128.4°120.0°
O2P1O3P28.1°45.1°
O2P1O1H30.0°180.0°
N4C4C3N5178.3°179.5°
N4C4C3N6178.9°179.8°
C4N4C1H1179.1°179.9°
N4C4N5H230.0°179.4°
N4C4N5H24120.0°0.5°
C13O11P1O146.4°65.0°
C13O11P1O364.8°175.0°
O11C13H15H16119.8°120.1°
O11C13C14H1751.5°54.5°
O11P1O1O3106.2°120.0°
O11P1O3P2107.5°165.0°
O11P1O1H3125.3°60.0°
P1O11C13H1525.6°60.0°
P1O11C13H1694.3°60.0°
O7C7C8O839.5°20.1°
O7C7C8C6120.3°120.1°
O7C7C8H7121.5°119.9°
O7C7C6H7121.4°120.0°
O7C7C8C9142.5°160.0°
O7C7C6O667.8°65.0°
O7C7C6H5172.1°55.0°
O7C7C6H652.3°175.0°
O1P1O3P2139.8°75.0°
P1O3P2O645.7°165.0°
P1O3P2O574.8°45.0°
P1O3P2O4159.4°75.0°
O3P1O1H3128.4°60.0°
C5N6C3C4179.4°179.6°
C3C4N5H23178.2°0.0°
C3C4N5H2461.8°180.0°
N6C3C4N50.6°0.4°
C3N6C5H2179.9°179.9°
C4N5H23H24120.0°180.0°
O8C8C7C9178.0°180.0°
O8C8C7C680.8°100.0°
O8C8C9N11.1°180.0°
O8C8C9C10179.4°0.0°
O8C8C7H7161.0°140.0°
C8C7C6H7118.5°120.0°
C8C7C6O6172.1°175.0°
C7C8C9N1177.0°0.0°
C7C8C9C102.5°180.0°
C8C7C6H552.1°65.0°
C8C7C6H667.7°54.9°
C8C7O7H8132.6°60.0°
C6C7C8C997.2°80.0°
C7C6O6H5120.1°120.0°
C7C6O6H6120.1°120.1°
C7C6O6P2155.5°180.0°
C7C6H5H6119.7°120.0°
C6C7O7H814.4°60.0°
C8C9N1C10179.6°180.0°
C8C9N1C11179.4°174.5°
C9C8C7H721.0°40.0°
C8C9C10H9180.0°5.1°
C8C9C10H1060.0°125.1°
C8C9C10H1160.0°114.9°
O3P2O6C653.6°175.0°
O3P2O6O5120.7°120.0°
O3P2O6O4109.6°120.0°
O3P2O5O4117.4°120.0°
O3P2O4H4122.0°60.0°
C6O6P2O5174.3°55.0°
C6O6P2O456.0°65.0°
O6C6H5H6119.7°120.0°
O6C6C7H753.7°55.0°
O6P2O5O4125.1°120.0°
O6P2O4H4126.3°60.0°
P2O6C6H584.4°60.0°
P2O6C6H635.4°59.9°
O5P2O4H40.0°180.0°
C9N1C11C12176.4°114.8°
N1C9C10H90.5°174.9°
N1C9C10H10119.5°54.9°
N1C9C10H11120.5°65.1°
C9N1C11H1263.5°125.2°
C9N1C11H1356.4°5.2°
C10C9N1C110.2°5.5°
C9C10H9H10120.0°120.0°
C9C10H9H11120.0°120.0°
C9C10H10H11120.0°120.0°
O10C12C11N15.4°0.0°
O10C12C11O9179.7°179.9°
O10C12C11H12125.4°120.0°
O10C12C11H13114.7°120.0°
O10C12O9H140.0°0.1°
N1C11C12H12120.1°120.0°
N1C11C12H13120.1°120.0°
N1C11C12O9174.4°180.0°
N1C11H12H13119.9°120.0°
C12C11H12H13119.8°120.0°
C11C12O9H14179.7°180.0°
O9C12C11H1254.3°60.0°
O9C12C11H1365.6°60.0°
H5C6C7H766.4°175.0°
H6C6C7H7173.8°65.0°
H7C7O7H8106.4°180.0°
H9C10H10H11120.0°120.0°
H15C13C14H17171.6°174.6°
H16C13C14H1768.5°65.5°
H17C14C15H18122.7°123.8°
H18C15O12H1955.2°57.4°
H18C15C16H2018.3°21.4°
H20C16O13H2155.0°62.2°
H20C16C17H22152.9°160.1°

226262

PDB entries from 2024-10-16

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