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OFH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C4sing1.51Å1.52Å
C1C8sing1.53Å1.53Å
C1C11sing1.53Å1.54Å
C1C12sing1.53Å1.52Å
S2C5sing1.81Å1.69Å
S2C6sing1.76Å1.63Å
S2O22doub1.42Å1.42Å
S2O23doub1.42Å1.45Å
N3C4sing1.35Å1.34Å
N3C7sing1.47Å1.47Å
N3C9sing1.48Å1.49Å
C4O27doub1.21Å1.22Å
C5C9sing1.55Å1.52Å
C5C10sing1.55Å1.54Å
C6C16doub1.38Å1.40ÅAromatic
C6C20sing1.38Å1.41ÅAromatic
C7C10sing1.54Å1.53Å
C7C13sing1.51Å1.52Å
C8F31sing1.40Å1.31Å
C8F32sing1.40Å1.32Å
C8F33sing1.40Å1.33Å
C11C12sing1.53Å1.54Å
C13N17sing1.35Å1.32Å
C13O30doub1.21Å1.22Å
C14N17sing1.47Å1.43Å
C14C18sing1.51Å1.54Å
C14C24sing1.53Å1.54Å
C14C25sing1.53Å1.53Å
C15C26sing1.53Å1.52Å
C15F34sing1.40Å1.32Å
C15F35sing1.40Å1.31Å
C15F36sing1.40Å1.33Å
C16C21sing1.38Å1.40ÅAromatic
C16CLsing1.74Å1.81Å
C18N19doub1.28Å1.29Å
C20C38doub1.38Å1.39ÅAromatic
C21C29doub1.39Å1.40ÅAromatic
C24C25sing1.53Å1.51Å
C26O28sing1.43Å1.41Å
C26C39sing1.53Å1.52Å
O28C29sing1.36Å1.38Å
C29C38sing1.39Å1.40ÅAromatic
C5H5sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
N17HN17sing0.97Å1.00Å
C18H18sing1.08Å1.08Å
N19HN19sing0.97Å1.00Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C38H38sing1.08Å1.08Å
C39H39sing1.09Å1.10Å
C39H39Asing1.09Å1.10Å
C39H39Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C1C8115.3°115.6°
C4C1C11115.6°117.5°
C4C1C12117.5°117.5°
C1C4N3120.7°120.0°
C1C4O27118.3°120.0°
C8C1C11114.7°117.5°
C8C1C12121.7°117.5°
C1C8F31109.6°109.5°
C1C8F32106.6°109.5°
C1C8F33112.9°109.4°
C11C1C1260.1°60.0°
C1C11C1259.3°60.0°
C1C11H11120.1°117.5°
C1C11H11A120.1°117.5°
C1C12C1160.6°60.0°
C1C12H12119.9°117.5°
C1C12H12A119.9°117.5°
C5S2C6107.5°104.4°
C5S2O22108.7°110.6°
C5S2O23106.1°110.6°
S2C5C9111.5°111.0°
S2C5C10110.7°110.9°
S2C5H5108.5°110.9°
C6S2O22113.4°104.3°
C6S2O23110.7°104.3°
S2C6C16121.6°120.0°
S2C6C20120.0°120.0°
O22S2O23110.2°121.0°
C4N3C7119.0°125.7°
C4N3C9129.2°125.6°
N3C4O27121.0°120.0°
C7N3C9111.7°108.7°
N3C7C10105.0°107.3°
N3C7C13113.1°109.9°
N3C7H7109.1°109.8°
N3C9C5104.9°104.8°
N3C9H9110.6°110.3°
N3C9H9A110.6°110.4°
C9C5C10105.2°101.5°
C9C5H5110.7°111.0°
C5C9H9110.6°110.4°
C5C9H9A110.6°110.4°
C5C10C7104.7°103.0°
C10C5H5110.3°111.2°
C5C10H10110.7°110.7°
C5C10H10A110.6°110.7°
C16C6C20118.4°120.0°
C6C16C21121.9°120.1°
C6C16CL120.5°120.0°
C6C20C38119.9°120.1°
C6C20H20120.1°119.9°
C10C7C13112.6°109.9°
C10C7H7108.4°109.9°
C7C10H10110.6°110.7°
C7C10H10A110.7°110.7°
C7C13N17113.2°120.0°
C7C13O30123.3°120.0°
C13C7H7108.5°110.0°
F31C8F32110.0°109.5°
F31C8F33109.3°109.5°
F32C8F33108.4°109.5°
C12C11H11120.1°117.5°
C12C11H11A120.1°117.5°
C11C12H12119.9°117.5°
C11C12H12A119.9°117.5°
N17C13O30123.5°120.0°
C13N17C14128.4°120.1°
C13N17HN17115.8°120.0°
N17C14C18117.6°115.5°
N17C14C24113.4°117.5°
N17C14C25117.1°117.5°
C14N17HN17115.8°119.9°
C18C14C24112.0°117.5°
C18C14C25122.2°117.5°
C14C18N19122.3°120.0°
C14C18H18118.9°120.0°
C24C14C2559.2°60.1°
C14C24C2559.9°60.0°
C14C24H24120.0°117.5°
C14C24H24A120.0°117.5°
C14C25C2460.9°60.0°
C14C25H25119.8°117.6°
C14C25H25A119.8°117.4°
C26C15F34105.7°109.5°
C26C15F35109.1°109.5°
C26C15F36111.7°109.5°
C15C26O28106.8°109.5°
C15C26C39110.7°109.5°
C15C26H26109.8°109.4°
F34C15F35110.6°109.5°
F34C15F36112.1°109.4°
F35C15F36107.6°109.4°
C21C16CL117.7°120.0°
C16C21C29119.1°119.9°
C16C21H21120.4°120.0°
N19C18H18118.9°120.0°
C18N19HN19112.0°120.0°
C20C38C29121.2°120.0°
C38C20H20120.0°120.0°
C20C38H38119.4°120.1°
C21C29O28123.1°120.0°
C21C29C38119.5°119.9°
C29C21H21120.4°120.1°
C25C24H24120.0°117.5°
C25C24H24A120.0°117.5°
C24C25H25119.8°117.5°
C24C25H25A119.8°117.4°
O28C26C39108.4°109.5°
C26O28C29126.4°117.0°
O28C26H26111.4°109.5°
C39C26H26109.8°109.5°
C26C39H39109.5°109.4°
C26C39H39A109.5°109.4°
C26C39H39B109.5°109.4°
O28C29C38117.3°120.1°
C29C38H38119.4°120.0°
H9C9H9A109.5°110.4°
H10C10H10A109.5°110.8°
H11C11H11A109.5°115.6°
H12C12H12A109.5°115.6°
H24C24H24A109.5°115.6°
H25C25H25A109.5°115.6°
H39C39H39A109.4°109.6°
H39C39H39B109.4°109.5°
H39AC39H39B109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C1C8C11138.0°145.6°
C4C1C8C12153.1°145.7°
C4C1C11C12108.3°107.5°
C1C4N3O27178.6°180.0°
C1C4N3C7179.4°176.3°
C1C4N3C93.3°3.5°
C4C1C8F31176.6°66.4°
C4C1C8F3257.7°173.5°
C4C1C8F3361.3°53.5°
C4C1C11H11142.4°145.0°
C4C1C11H11A1.0°0.0°
C4C1C12H124.4°0.0°
C4C1C12H12A145.1°145.1°
C8C1C11C12113.8°107.5°
C8C1C4N380.6°84.7°
C8C1C4O2798.0°95.3°
C1C8F31F32116.9°120.0°
C1C8F31F33124.2°119.9°
C1C8F32F33121.8°120.0°
C8C1C11H114.5°0.0°
C8C1C11H11A136.9°145.0°
C8C1C12H12148.2°145.1°
C8C1C12H12A7.5°0.0°
C11C1C4N357.0°60.9°
C11C1C4O27124.4°119.0°
C11C1C8F3145.4°79.2°
C11C1C8F32164.3°40.8°
C11C1C8F3376.7°160.8°
C1C11C12H11109.3°107.5°
C1C11C12H11A109.3°107.5°
C1C11H11H11A145.1°145.7°
C11C1C12H12109.6°107.4°
C11C1C12H12A109.6°107.5°
C12C1C4N3125.1°129.6°
C12C1C4O2756.3°50.4°
C12C1C8F3123.5°147.9°
C12C1C8F3295.5°27.8°
C12C1C8F33145.6°92.2°
C1C12H12H12A144.4°145.8°
C5S2C6O22120.1°116.1°
C5S2C6O23115.5°116.1°
C5S2O22O23115.9°131.6°
S2C5C9N396.4°155.0°
S2C5C9C10120.1°117.9°
S2C5C9H5120.9°123.9°
S2C5C10H5120.1°123.9°
C5S2C6C1671.0°73.7°
C5S2C6C20107.0°106.5°
S2C5C10C790.8°153.5°
S2C5C9H922.8°36.2°
S2C5C9H9A144.3°86.2°
S2C5C10H1028.5°35.1°
S2C5C10H10A150.0°88.2°
C6S2O22O23124.7°116.7°
C6S2C5C959.1°61.8°
C6S2C5C10175.8°173.8°
S2C6C16C20178.1°179.7°
S2C6C16C21178.3°180.0°
S2C6C16CL1.9°0.1°
S2C6C20C38178.9°180.0°
C6S2C5H563.0°62.1°
S2C6C20H201.1°0.1°
O22S2C5C9177.8°173.4°
O22S2C5C1061.1°74.6°
O22S2C6C1649.1°42.3°
O22S2C6C20132.9°137.4°
O22S2C5H560.1°49.5°
O23S2C5C959.4°49.8°
O23S2C5C1057.4°62.2°
O23S2C6C16173.5°170.2°
O23S2C6C208.4°9.6°
O23S2C5H5178.5°173.7°
C4N3C7C9177.7°179.8°
C4N3C9C5168.6°155.9°
C4N3C7C10172.4°179.0°
C4N3C7C1349.3°59.5°
C4N3C7H771.5°61.7°
C4N3C9H949.4°85.3°
C4N3C9H9A72.1°37.0°
C7N3C4O270.8°3.7°
C7N3C9C58.8°24.3°
N3C7C10C524.2°22.1°
N3C7C10C13123.4°119.5°
N3C7C10H7116.5°119.3°
N3C7C13H7121.2°121.0°
N3C7C13N17128.3°180.0°
N3C7C13O3049.9°0.1°
C7N3C9H9128.1°94.5°
C7N3C9H9A110.5°143.2°
N3C7C10H10143.4°96.3°
N3C7C10H10A95.1°140.5°
C9N3C4O27178.1°176.5°
N3C9C5H9119.3°118.8°
N3C9C5H9A119.3°118.8°
N3C9C5C1023.6°37.1°
C9N3C7C109.9°1.2°
C9N3C7C13133.0°120.7°
N3C9C5H5142.7°81.1°
C9N3C7H7106.2°118.1°
N3C9H9H9A122.1°122.3°
C9C5C10H5119.3°118.1°
C9C5C10C729.8°35.5°
C5C9H9H9A122.1°122.3°
C9C5C10H10149.0°82.9°
C9C5C10H10A89.5°153.9°
C5C10C7H10119.2°118.4°
C5C10C7H10A119.2°118.3°
C5C10C7C13147.6°97.3°
C5C10C7H792.4°141.4°
C10C5C9H9142.9°81.7°
C10C5C9H9A95.7°155.9°
C5C10H10H10A122.2°123.2°
C6C16C21CL179.9°179.9°
C16C6C20C380.8°0.3°
C6C16C21C290.1°0.0°
C16C6C20H20179.2°179.7°
C6C16C21H21180.0°180.0°
C20C6C16C210.2°0.3°
C20C6C16CL179.9°179.8°
C6C20C38H20180.0°180.0°
C6C20C38C291.3°0.0°
C6C20C38H38178.7°179.9°
C10C7C13H7120.0°121.1°
C10C7C13N17112.9°62.2°
C10C7C13O3068.9°117.8°
C7C10C5H5149.1°82.6°
C7C10H10H10A122.2°123.2°
C7C13N17O30178.2°179.9°
C7C13N17C14179.1°180.0°
C13C7C10H1093.2°144.2°
C13C7C10H10A28.4°21.0°
C7C13N17HN170.9°0.1°
F31C8F32F33119.4°120.0°
C12C11H11H11A145.2°145.7°
C11C12H12H12A144.4°145.7°
C13N17C14HN17180.0°180.0°
C13N17C14C1871.2°34.4°
C13N17C14C2462.2°179.9°
C13N17C14C25128.3°111.3°
N17C13C7H77.1°59.0°
O30C13N17C140.9°0.0°
O30C13C7H7171.1°121.1°
O30C13N17HN17179.1°180.0°
N17C14C18C24134.0°145.7°
N17C14C18C25159.5°145.6°
N17C14C24C25108.7°107.5°
N17C14C18N19171.1°25.6°
N17C14C18H188.8°154.4°
N17C14C24H24141.9°145.0°
N17C14C24H24A0.8°0.0°
N17C14C25H257.4°0.0°
N17C14C25H25A148.0°145.0°
C18C14C24C25115.3°107.5°
C14C18N19H18180.0°180.0°
C18C14N17HN17108.8°145.6°
C14C18N19HN19180.0°180.0°
C18C14C24H245.8°0.1°
C18C14C24H24A135.3°145.0°
C18C14C25H25152.2°145.0°
C18C14C25H25A11.6°0.1°
C24C14C18N1937.1°120.1°
C14C24C25H24109.4°107.4°
C14C24C25H24A109.5°107.5°
C24C14N17HN17117.7°0.1°
C24C14C18H18142.8°60.0°
C14C24H24H24A144.8°145.7°
C24C14C25H25109.7°107.5°
C24C14C25H25A109.7°107.4°
C25C14C18N1929.4°171.2°
C25C14N17HN1751.7°68.8°
C25C14C18H18150.7°8.8°
C14C25H25H25A144.2°145.7°
C26C15F34F35117.9°120.1°
C26C15F34F36122.0°120.0°
C26C15F35F36121.4°120.0°
C15C26O28C39119.3°120.0°
C15C26O28H26119.9°120.0°
C15C26C39H26121.4°119.9°
C15C26O28C2984.0°154.6°
C15C26C39H39180.0°179.9°
C15C26C39H39A60.0°60.0°
C15C26C39H39B60.0°60.0°
F34C15F35F36122.8°119.9°
F34C15C26O2888.8°59.9°
F34C15C26C39153.4°180.0°
F34C15C26H2632.1°60.0°
F35C15C26O28152.3°180.0°
F35C15C26C3934.5°60.0°
F35C15C26H2686.8°60.0°
F36C15C26O2833.5°60.0°
F36C15C26C3984.3°60.0°
F36C15C26H26154.4°180.0°
C16C21C29H21180.0°180.0°
C16C21C29O28179.8°179.9°
C16C21C29C380.3°0.2°
CLC16C21C29179.8°180.0°
CLC16C21H210.2°0.0°
C20C38C29C211.0°0.2°
C20C38C29O28179.2°180.0°
C20C38C29H38180.0°179.9°
C21C29O28C2614.8°179.9°
C21C29O28C38179.9°179.7°
C21C29C38H38179.0°179.7°
C25C24H24H24A144.8°145.7°
C24C25H25H25A144.2°145.6°
O28C26C39H26121.8°120.0°
C26O28C29C38165.3°0.2°
O28C26C39H3963.2°60.0°
O28C26C39H39A56.8°60.0°
O28C26C39H39B176.8°180.0°
C39C26O28C29156.7°85.4°
C26C39H39H39A120.0°120.0°
C26C39H39H39B120.0°119.9°
C26C39H39AH39B120.0°120.0°
O28C29C21H210.2°0.1°
C29O28C26H2635.9°34.6°
O28C29C38H380.9°0.0°
C29C38C20H20178.8°180.0°
C38C29C21H21179.7°179.8°
H5C5C9H998.0°160.1°
H5C5C9H9A23.4°37.7°
H5C5C10H1091.7°159.0°
H5C5C10H10A29.9°35.8°
H7C7C10H1026.8°23.0°
H7C7C10H10A148.4°100.2°
H11C11C12H12141.1°145.0°
H11C11C12H12A0.4°0.0°
H11AC11C12H120.4°0.0°
H11AC11C12H12A141.1°145.0°
H18C18N19HN190.0°0.0°
H20C20C38H381.3°0.0°
H24C24C25H25140.8°145.0°
H24C24C25H25A0.3°0.0°
H24AC24C25H250.3°0.1°
H24AC24C25H25A140.8°145.1°
H26C26C39H3958.6°60.0°
H26C26C39H39A178.6°180.0°
H26C26C39H39B61.4°60.0°
H39C39H39AH39B119.9°120.0°

222415

PDB entries from 2024-07-10

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