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H3U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O32C26doub1.22Å1.18Å
O4C2doub1.22Å1.18Å
O30S21doub1.42Å1.65Å
C26C33sing1.48Å1.55Å
C26N19sing1.35Å1.47Å
C33C38doub1.40Å1.38ÅAromatic
C33C37sing1.39Å1.40ÅAromatic
C38C40sing1.38Å1.40ÅAromatic
C37C39doub1.39Å1.40ÅAromatic
C40C42doub1.38Å1.39ÅAromatic
C12C7doub1.39Å1.40ÅAromatic
C12C15sing1.36Å1.40ÅAromatic
C7C3sing1.38Å1.42ÅAromatic
C39C42sing1.39Å1.38ÅAromatic
C39N41sing1.40Å1.46Å
C2C5sing1.48Å1.59Å
C2N1sing1.35Å1.47Å
C5C9doub1.40Å1.40ÅAromatic
C5C8sing1.39Å1.40ÅAromatic
C9C14sing1.38Å1.41ÅAromatic
C8C13doub1.39Å1.39ÅAromatic
C13C20sing1.39Å1.41ÅAromatic
C13N19sing1.40Å1.47Å
C14C20doub1.38Å1.42ÅAromatic
C20C27sing1.51Å1.53Å
S21O29doub1.42Å1.66Å
S21C15sing1.76Å1.83Å
S21O28sing1.52Å1.64Å
C15C10doub1.41Å1.44ÅAromatic
N1C3sing1.39Å1.50Å
C3C6doub1.41Å1.45ÅAromatic
O25S17doub1.42Å1.65Å
C10C6sing1.42Å1.37ÅAromatic
C10C16sing1.41Å1.43ÅAromatic
C6C11sing1.40Å1.43ÅAromatic
C16C22doub1.36Å1.40ÅAromatic
C11S17sing1.76Å1.82Å
C11C18doub1.36Å1.41ÅAromatic
S17O23doub1.42Å1.63Å
S17O24sing1.52Å1.67Å
C22C18sing1.39Å1.41ÅAromatic
C22S31sing1.76Å1.84Å
O34S31doub1.42Å1.67Å
S31O35doub1.42Å1.65Å
S31O36sing1.52Å1.64Å
C18H1sing1.08Å1.08Å
C16H2sing1.08Å1.08Å
C12H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
N1H5sing0.97Å1.00Å
C8H6sing1.08Å1.08Å
C9H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C27H9sing1.09Å1.10Å
C27H10sing1.09Å1.10Å
C27H11sing1.09Å1.10Å
N19H12sing0.97Å1.00Å
C37H13sing1.08Å1.08Å
C38H14sing1.08Å1.08Å
C40H15sing1.08Å1.08Å
C42H16sing1.08Å1.08Å
N41H17sing0.97Å1.00Å
N41H18sing0.97Å1.00Å
O36H19sing0.97Å0.95Å
O24H20sing0.97Å0.95Å
O28H21sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O32C26C33121.3°120.0°
O32C26N19121.6°120.0°
O4C2C5123.1°120.0°
O4C2N1122.3°120.0°
O30S21O29109.6°123.2°
O30S21C15109.3°106.4°
O30S21O28108.9°106.4°
C33C26N19117.2°120.0°
C26C33C38119.0°120.1°
C26C33C37120.8°120.2°
C26N19C13125.2°120.0°
C26N19H12117.4°120.0°
C38C33C37120.2°119.7°
C33C38C40120.1°120.0°
C33C38H14120.0°120.0°
C33C37C39119.7°119.8°
C33C37H13120.1°120.1°
C38C40C42119.7°120.3°
C40C38H14119.9°120.0°
C38C40H15120.1°119.9°
C37C39C42120.0°120.0°
C37C39N41120.0°120.0°
C39C37H13120.1°120.1°
C40C42C39120.4°120.2°
C42C40H15120.2°119.8°
C40C42H16119.8°119.9°
C7C12C15118.9°121.1°
C12C7C3119.5°120.7°
C7C12H3120.5°119.5°
C12C7H4120.2°119.6°
C12C15S21118.4°120.0°
C12C15C10122.1°119.9°
C15C12H3120.5°119.4°
C7C3N1116.5°120.3°
C7C3C6120.9°119.4°
C3C7H4120.3°119.7°
C42C39N41120.1°120.0°
C39C42H16119.8°119.9°
C39N41H17109.5°120.0°
C39N41H18109.5°120.0°
C5C2N1114.6°120.0°
C2C5C9126.9°120.1°
C2C5C8112.5°120.1°
C2N1C3123.5°120.0°
C2N1H5118.2°120.0°
C9C5C8120.6°119.8°
C5C9C14118.3°120.0°
C5C9H7120.9°120.0°
C5C8C13121.4°119.8°
C5C8H6119.3°120.1°
C9C14C20121.2°120.2°
C14C9H7120.9°120.0°
C9C14H8119.4°119.9°
C8C13C20119.2°120.0°
C8C13N19116.3°120.0°
C13C8H6119.3°120.1°
C20C13N19124.5°120.0°
C13C20C14119.4°120.2°
C13C20C27120.2°119.9°
C13N19H12117.4°120.0°
C14C20C27120.4°119.9°
C20C14H8119.4°119.9°
C20C27H9109.5°109.4°
C20C27H10109.4°109.5°
C20C27H11109.5°109.4°
O29S21C15110.2°106.4°
O29S21O28109.6°106.4°
C15S21O28109.1°107.2°
S21C15C10119.4°120.1°
S21O28H21109.5°114.0°
C15C10C6119.3°119.5°
C15C10C16119.1°121.2°
N1C3C6122.4°120.3°
C3N1H5118.3°120.0°
C3C6C10119.3°119.4°
C3C6C11122.0°121.3°
O25S17C11109.6°106.4°
O25S17O23110.6°123.1°
O25S17O24108.5°106.4°
C6C10C16121.7°119.4°
C10C6C11118.7°119.4°
C10C16C22119.1°119.6°
C10C16H2120.4°120.2°
C6C11S17119.7°120.2°
C6C11C18120.9°119.7°
C16C22C18120.5°120.9°
C16C22S31120.1°119.5°
C22C16H2120.5°120.2°
S17C11C18119.4°120.2°
C11S17O23109.2°106.4°
C11S17O24109.2°107.2°
C11C18C22119.1°121.0°
C11C18H1120.4°119.5°
O23S17O24109.7°106.4°
S17O24H20109.5°114.0°
C18C22S31119.4°119.5°
C22C18H1120.4°119.5°
C22S31O34108.9°106.4°
C22S31O35108.9°106.4°
C22S31O36108.0°107.2°
O34S31O35110.3°123.1°
O34S31O36110.1°106.4°
O35S31O36110.5°106.4°
S31O36H19109.5°114.0°
H9C27H10109.4°109.5°
H9C27H11109.5°109.5°
H10C27H11109.5°109.5°
H17N41H18109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O32C26C33N19180.0°179.9°
O32C26C33C38132.3°180.0°
O32C26C33C3748.5°0.4°
O32C26N19C130.6°5.3°
O32C26N19H12179.4°174.6°
O4C2C5N1178.4°180.0°
O4C2C5C945.7°175.8°
O4C2C5C8133.7°4.0°
O4C2N1C33.0°5.3°
O4C2N1H5177.0°174.8°
O30S21C15C124.5°143.5°
O30S21O29C15120.3°122.9°
O30S21O29O28119.5°123.0°
O30S21C15O28119.0°113.5°
O30S21C15C10175.4°36.5°
O30S21O28H210.0°66.5°
C26C33C38C37179.2°179.7°
C26C33C38C40179.8°179.9°
C26C33C37C39179.7°179.9°
C33C26N19C13179.4°174.6°
C33C26N19H120.6°5.5°
C26C33C37H130.3°0.1°
C26C33C38H140.2°0.1°
N19C26C33C3847.7°0.1°
N19C26C33C37131.5°179.8°
C26N19C13C8133.0°32.0°
C26N19C13C2048.0°148.1°
C26N19C13H12180.0°179.9°
C33C38C40H14180.0°180.0°
C38C33C37C390.5°0.2°
C33C38C40C420.3°0.0°
C38C33C37H13179.5°179.8°
C33C38C40H15179.7°180.0°
C37C33C38C400.6°0.2°
C33C37C39H13180.0°180.0°
C33C37C39C420.2°0.0°
C33C37C39N41179.8°179.9°
C37C33C38H14179.4°179.8°
C38C40C42H15180.0°180.0°
C38C40C42C390.1°0.3°
C38C40C42H16179.9°180.0°
C37C39C42C400.0°0.3°
C37C39C42N41180.0°179.9°
C37C39C42H16180.0°180.0°
C37C39N41H17180.0°0.1°
C37C39N41H1860.0°180.0°
C40C42C39H16180.0°179.7°
C40C42C39N41180.0°179.8°
C42C40C38H14179.6°180.0°
C7C12C15H3180.0°180.0°
C12C7C3H4180.0°180.0°
C7C12C15S21179.8°180.0°
C7C12C15C100.1°0.1°
C12C7C3N1177.4°179.9°
C12C7C3C62.5°0.0°
C15C12C7C31.3°0.0°
C12C15S21O29116.0°83.5°
C12C15S21C10179.9°180.0°
C12C15S21O28123.5°30.0°
C12C15C10C60.3°0.1°
C12C15C10C16180.0°179.2°
C15C12C7H4178.7°180.0°
C7C3N1C223.0°53.4°
C7C3N1C6174.8°179.9°
C7C3C6C102.3°0.0°
C7C3C6C11179.2°180.0°
C3C7C12H3178.7°180.0°
C7C3N1H5157.0°126.5°
C42C39C37H13179.8°180.0°
C39C42C40H15179.9°179.7°
C42C39N41H170.0°180.0°
C42C39N41H18120.0°0.1°
N41C39C37H130.3°0.1°
N41C39C42H160.0°0.1°
C39N41H17H18120.0°179.9°
C2C5C9C8179.4°179.8°
C2C5C9C14179.9°180.0°
C2C5C8C13179.8°180.0°
C5C2N1C3175.4°174.8°
C5C2N1H54.6°5.2°
C2C5C8H60.2°0.0°
C2C5C9H70.1°0.0°
N1C2C5C9135.9°4.2°
N1C2C5C844.7°176.1°
C2N1C3H5180.0°179.9°
C2N1C3C6162.2°126.7°
C5C9C14H7180.0°180.0°
C9C5C8C130.3°0.2°
C5C9C14C200.4°0.0°
C9C5C8H6179.7°179.7°
C5C9C14H8179.7°180.0°
C8C5C9C140.5°0.3°
C5C8C13H6180.0°180.0°
C5C8C13C200.1°0.1°
C5C8C13N19179.3°180.0°
C8C5C9H7179.5°179.8°
C9C14C20C130.1°0.3°
C9C14C20H8180.0°180.0°
C9C14C20C27179.8°180.0°
C8C13C20N19179.0°179.9°
C8C13C20C140.3°0.3°
C8C13C20C27179.9°180.0°
C8C13N19H1247.0°148.1°
C13C20C14C27179.8°179.7°
C20C13C8H6179.9°180.0°
C13C20C14H8179.9°179.7°
C13C20C27H990.1°90.3°
C13C20C27H10149.9°29.7°
C13C20C27H1129.9°149.7°
C20C13N19H12132.0°31.8°
N19C13C20C14179.4°179.8°
N19C13C20C270.9°0.0°
N19C13C8H60.7°0.1°
C20C14C9H7179.6°180.0°
C14C20C27H990.1°90.0°
C14C20C27H1029.9°150.0°
C14C20C27H11149.9°30.0°
C27C20C14H80.1°0.0°
C20C27H9H10120.0°120.0°
C20C27H9H11120.0°119.9°
C20C27H10H11120.0°120.0°
O29S21C15O28120.4°113.5°
O29S21C15C1064.1°96.4°
O29S21O28H21120.0°66.5°
S21C15C10C6179.6°180.0°
S21C15C10C160.1°0.9°
S21C15C12H30.2°0.0°
C15S21O28H21119.3°180.0°
O28S21C15C1056.4°150.0°
C15C10C6C30.9°0.0°
C15C10C6C16179.6°179.1°
C15C10C6C11179.4°180.0°
C15C10C16C22179.8°179.7°
C15C10C16H20.2°0.3°
C10C15C12H3179.9°180.0°
N1C3C6C10176.8°179.9°
N1C3C6C114.7°0.1°
N1C3C7H42.6°0.1°
C3C6C10C11178.5°180.0°
C3C6C10C16178.8°179.2°
C3C6C11S172.3°0.6°
C3C6C11C18179.8°179.5°
C6C3C7H4177.5°180.0°
C6C3N1H517.8°53.4°
O25S17C11C644.3°74.3°
O25S17C11O23121.2°132.9°
O25S17C11O24118.7°113.5°
O25S17C11C18133.6°105.7°
O25S17O23O24119.6°122.9°
O25S17O24H200.0°66.5°
C6C10C16C220.6°0.6°
C10C6C11S17179.2°179.5°
C10C6C11C181.3°0.5°
C6C10C16H2179.5°179.4°
C16C10C6C110.2°0.8°
C10C16C22H2180.0°180.0°
C10C16C22C180.3°0.0°
C10C16C22S31179.6°179.7°
C6C11S17C18177.9°180.0°
C6C11S17O2376.9°58.6°
C6C11S17O24163.1°172.2°
C6C11C18C221.6°0.0°
C6C11C18H1178.4°180.0°
C16C22C18C110.8°0.3°
C16C22C18S31179.9°179.7°
C16C22S31O3442.5°156.2°
C16C22S31O3577.9°23.3°
C16C22S31O36162.0°90.2°
C16C22C18H1179.2°179.7°
C11S17O23O24119.7°114.1°
S17C11C18C22179.5°180.0°
S17C11C18H10.5°0.0°
C11S17O24H20119.4°180.0°
C18C11S17O23105.1°121.4°
C18C11S17O2414.9°7.8°
C11C18C22H1180.0°180.0°
C11C18C22S31179.4°180.0°
O23S17O24H20120.9°66.4°
C18C22S31O34137.4°23.6°
C18C22S31O35102.3°156.4°
C18C22S31O3617.8°90.0°
C18C22C16H2179.7°180.0°
C22S31O34O35119.5°122.9°
C22S31O34O36118.3°114.1°
C22S31O35O36118.5°114.1°
S31C22C18H10.6°0.0°
S31C22C16H20.4°0.3°
C22S31O36H19119.1°180.0°
O34S31O35O36122.0°123.0°
O34S31O36H19122.1°66.5°
O35S31O36H190.0°66.4°
H3C12C7H41.3°0.0°
H7C9C14H80.3°0.0°
H9C27H10H11120.0°120.1°
H14C38C40H150.4°0.0°
H15C40C42H160.1°0.0°

226707

PDB entries from 2024-10-30

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