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S1I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S08C07sing1.71Å1.62ÅAromatic
S08C04sing1.76Å1.63ÅAromatic
N03C02doub1.31Å1.25Å
C07C06doub1.35Å1.42ÅAromatic
C02C04sing1.47Å1.49Å
C02N01sing1.38Å1.44Å
C04C05doub1.35Å1.41ÅAromatic
C06C05sing1.39Å1.51ÅAromatic
C06C09sing1.48Å1.51Å
C10C09doub1.39Å1.38ÅAromatic
C10C11sing1.38Å1.39ÅAromatic
C09C32sing1.39Å1.38ÅAromatic
C11C12doub1.38Å1.40ÅAromatic
C32C13doub1.39Å1.39ÅAromatic
C12C13sing1.39Å1.38ÅAromatic
C13N14sing1.40Å1.45Å
N14C15sing1.35Å1.44Å
O16C15doub1.21Å1.19Å
C15C17sing1.51Å1.54Å
C30C31doub1.38Å1.39ÅAromatic
C30C29sing1.38Å1.39ÅAromatic
C31C26sing1.39Å1.40ÅAromatic
C29C28doub1.38Å1.39ÅAromatic
C26O25sing1.36Å1.41Å
C26C27doub1.39Å1.38ÅAromatic
O25C17sing1.43Å1.41Å
C17C24sing1.53Å1.53Å
C17C18sing1.53Å1.53Å
C28C27sing1.38Å1.39ÅAromatic
C24C23sing1.53Å1.52Å
C18C19sing1.53Å1.51Å
C23C20sing1.53Å1.52Å
C19C20sing1.53Å1.53Å
C20F22sing1.40Å1.37Å
C20F21sing1.40Å1.37Å
C10H101sing1.08Å1.08Å
C11H111sing1.08Å1.08Å
C12H121sing1.08Å1.08Å
C18H182sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H241sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C29H291sing1.08Å1.08Å
C30H301sing1.08Å1.08Å
C31H311sing1.08Å1.08Å
C32H321sing1.08Å1.08Å
N01H012sing0.97Å1.00Å
N03H031sing0.97Å1.00Å
N14H141sing0.97Å1.00Å
N01H011sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C07S08C04100.4°91.7°
S08C07C06107.8°110.7°
S08C07H071126.1°124.7°
S08C04C02122.7°125.2°
S08C04C05110.7°109.5°
N03C02C04116.5°120.0°
N03C02N01124.8°120.0°
C02N03H031112.0°120.0°
C07C06C05112.9°114.5°
C07C06C09124.5°122.8°
C06C07H071126.1°124.6°
C04C02N01118.7°120.0°
C02C04C05126.7°125.2°
C02N01H012120.0°120.0°
C02N01H011120.0°120.0°
C04C05C06108.3°113.5°
C04C05H051125.9°123.2°
C05C06C09122.6°122.7°
C06C05H051125.9°123.3°
C06C09C10119.1°120.1°
C06C09C32119.4°120.1°
C09C10C11119.0°120.0°
C10C09C32121.5°119.8°
C09C10H101120.5°120.0°
C10C11C12120.4°120.2°
C11C10H101120.5°120.0°
C10C11H111119.8°119.9°
C09C32C13118.8°119.8°
C09C32H321120.6°120.1°
C11C12C13119.2°120.2°
C12C11H111119.8°119.9°
C11C12H121120.4°119.9°
C32C13C12121.1°120.0°
C32C13N14115.6°120.0°
C13C32H321120.6°120.1°
C12C13N14123.2°120.0°
C13C12H121120.4°119.9°
C13N14C15122.8°120.0°
C13N14H141118.6°119.9°
N14C15O16122.8°120.0°
N14C15C17114.1°120.0°
C15N14H141118.6°120.1°
O16C15C17122.9°120.0°
C15C17O25113.1°109.5°
C15C17C24101.0°109.5°
C15C17C18112.0°109.5°
C31C30C29119.1°120.1°
C30C31C26119.0°119.9°
C31C30H301120.5°120.0°
C30C31H311120.5°120.1°
C30C29C28121.4°120.1°
C30C29H291119.3°120.0°
C29C30H301120.5°119.9°
C31C26O25122.2°120.0°
C31C26C27122.1°119.9°
C26C31H311120.5°120.0°
C29C28C27119.9°120.0°
C29C28H281120.0°120.0°
C28C29H291119.3°119.9°
O25C26C27115.7°120.0°
C26O25C17117.8°117.0°
C26C27C28118.5°119.9°
C26C27H271120.7°120.1°
O25C17C24103.8°109.5°
O25C17C18116.3°109.5°
C24C17C18109.1°109.5°
C17C24C23112.3°109.5°
C17C24H242108.7°109.5°
C17C24H241108.8°109.5°
C17C18C19110.4°109.5°
C17C18H182109.2°109.4°
C17C18H181109.2°109.5°
C28C27H271120.7°120.0°
C27C28H281120.1°120.0°
C24C23C20108.7°109.4°
C24C23H232109.7°109.5°
C24C23H231109.7°109.5°
C23C24H242108.8°109.5°
C23C24H241108.8°109.5°
C18C19C20112.6°109.5°
C19C18H182109.2°109.5°
C19C18H181109.2°109.5°
C18C19H192108.7°109.5°
C18C19H191108.7°109.5°
C23C20C19112.3°109.5°
C23C20F22108.3°109.4°
C23C20F21109.2°109.5°
C20C23H232109.7°109.5°
C20C23H231109.7°109.5°
C19C20F22107.9°109.5°
C19C20F21110.1°109.5°
C20C19H192108.7°109.5°
C20C19H191108.7°109.5°
F22C20F21108.9°109.4°
H182C18H181109.5°109.4°
H192C19H191109.5°109.4°
H232C23H231109.4°109.5°
H242C24H241109.5°109.4°
H012N01H011120.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S08C07C06H071180.0°179.7°
C07S08C04C02179.4°179.9°
C07S08C04C050.2°0.3°
S08C07C06C051.8°0.3°
S08C07C06C09179.8°179.7°
S08C04C02N030.8°179.6°
C04S08C07C061.2°0.4°
S08C04C02C05179.5°179.7°
S08C04C02N01179.0°0.3°
S08C04C05C060.8°0.3°
S08C04C05H051179.2°179.8°
C04S08C07H071178.8°179.9°
N03C02C04N01178.2°179.9°
N03C02C04C05178.7°0.0°
N03C02N01H012178.1°180.0°
N03C02N01H0112.0°0.1°
C07C06C05C041.7°0.0°
C07C06C05C09178.0°180.0°
C07C06C09C101.6°180.0°
C07C06C09C32176.8°0.0°
C07C06C05H051178.3°180.0°
C02C04C05C06179.6°180.0°
C02C04C05H0510.4°0.0°
C04C02N01H0120.0°0.1°
C04C02N03H031178.1°180.0°
C04C02N01H011180.0°179.9°
N01C02C04C050.5°180.0°
C02N01H012H011180.0°179.9°
N01C02N03H0310.0°0.1°
C04C05C06H051180.0°180.0°
C04C05C06C09179.7°180.0°
C05C06C09C10176.2°0.0°
C05C06C09C325.4°180.0°
C05C06C07H071178.2°180.0°
C06C09C10C32178.3°180.0°
C06C09C10C11179.7°180.0°
C06C09C32C13178.6°180.0°
C06C09C10H1010.3°0.2°
C09C06C05H0510.3°0.0°
C09C06C07H0710.2°0.0°
C06C09C32H3211.4°0.0°
C09C10C11H101180.0°179.8°
C09C10C11C120.2°0.0°
C10C09C32C133.1°0.0°
C09C10C11H111179.8°180.0°
C10C09C32H321176.9°180.0°
C11C10C09C321.4°0.0°
C10C11C12H111180.0°179.9°
C10C11C12C130.7°0.0°
C10C11C12H121179.3°180.0°
C09C32C13H321180.0°180.0°
C09C32C13C123.6°0.1°
C09C32C13N14179.9°180.0°
C32C09C10H101178.6°179.8°
C11C12C13C322.4°0.1°
C11C12C13H121180.0°180.0°
C11C12C13N14178.6°179.9°
C12C11C10H101179.9°179.8°
C32C13C12N14176.2°179.9°
C32C13N14C15145.7°148.7°
C32C13C12H121177.6°180.0°
C32C13N14H14134.3°31.3°
C12C13N14C1530.7°31.2°
C13C12C11H111179.3°179.9°
C12C13C32H321176.4°180.0°
C12C13N14H141149.3°148.8°
C13N14C15H141180.0°180.0°
C13N14C15O161.0°3.2°
C13N14C15C17176.1°176.8°
N14C13C12H1211.4°0.1°
N14C13C32H3210.1°0.1°
N14C15O16C17174.6°180.0°
N14C15C17O2521.8°46.7°
N14C15C17C2488.6°73.3°
N14C15C17C18155.5°166.7°
O16C15C17O25163.2°133.3°
O16C15C17C2486.5°106.7°
O16C15C17C1829.5°13.3°
O16C15N14H141179.0°176.8°
C15C17O25C2678.8°51.5°
C15C17O25C24108.6°120.0°
C15C17O25C18131.6°120.0°
C15C17C24C18118.1°120.0°
C15C17C24C23178.0°60.0°
C15C17C18C19167.4°60.0°
C15C17C18H18247.2°60.0°
C15C17C18H18172.5°180.0°
C15C17C24H24261.5°179.9°
C15C17C24H24157.6°60.0°
C17C15N14H1413.9°3.2°
C31C30C29H301180.0°179.5°
C30C31C26H311180.0°179.5°
C31C30C29C280.5°0.3°
C30C31C26O25179.8°179.7°
C30C31C26C271.5°0.5°
C31C30C29H291179.5°179.7°
C29C30C31C260.1°0.5°
C30C29C28H291180.0°180.0°
C30C29C28C270.4°0.1°
C30C29C28H281179.7°180.0°
C29C30C31H311179.9°180.0°
C31C26O25C27178.4°179.7°
C31C26O25C1733.4°1.0°
C31C26C27C282.4°0.3°
C31C26C27H271177.6°179.8°
C26C31C30H301179.9°180.0°
C29C28C27C261.8°0.1°
C29C28C27H281180.0°179.9°
C29C28C27H271178.2°180.0°
C28C29C30H301179.5°179.8°
C26O25C17C24172.6°171.5°
C26O25C17C1852.8°68.5°
O25C26C27C28179.2°180.0°
O25C26C27H2710.8°0.1°
O25C26C31H3110.1°0.3°
C27C26O25C17148.2°179.2°
C26C27C28H271180.0°179.9°
C26C27C28H281178.3°180.0°
C27C26C31H311178.4°180.0°
O25C17C24C18124.6°120.0°
O25C17C24C2364.6°180.0°
O25C17C18C1960.5°180.0°
O25C17C18H182179.3°60.0°
O25C17C18H18159.6°60.0°
O25C17C24H24255.8°59.9°
O25C17C24H241175.0°60.0°
C17C24C23H242120.4°120.0°
C17C24C23H241120.4°120.0°
C24C17C18C1956.4°60.0°
C17C24C23C2058.3°60.0°
C24C17C18H18263.7°180.0°
C24C17C18H181176.5°60.0°
C17C24C23H23261.6°60.0°
C17C24C23H231178.2°180.0°
C17C24H242H241118.7°120.0°
C18C17C24C2360.0°60.0°
C17C18C19H182120.1°120.0°
C17C18C19H181120.1°120.0°
C17C18C19C2054.6°60.0°
C17C18H182H181119.6°120.0°
C17C18C19H192175.0°60.0°
C17C18C19H19165.9°180.0°
C18C17C24H242179.6°60.1°
C18C17C24H24160.4°180.0°
C27C28C29H291179.6°179.9°
C24C23C20H232119.9°120.0°
C24C23C20H231119.9°120.0°
C24C23C20C1954.3°60.0°
C24C23C20F2264.8°180.0°
C24C23C20F21176.6°60.1°
C24C23H232H231120.3°120.0°
C23C24H242H241118.7°120.0°
C18C19C20C2354.0°60.0°
C18C19C20H192120.5°120.0°
C18C19C20H191120.5°120.0°
C18C19C20F2265.3°180.0°
C18C19C20F21176.0°60.0°
C19C18H182H181119.5°120.0°
C18C19H192H191118.6°120.0°
C23C20C19F22119.3°120.0°
C23C20C19F21121.9°120.0°
C23C20F22F21118.7°120.0°
C23C20C19H192174.5°60.0°
C23C20C19H19166.4°180.0°
C20C23H232H231120.3°120.0°
C20C23C24H242178.7°60.0°
C20C23C24H24162.1°180.0°
C19C20F22F21119.5°120.0°
C20C19C18H18265.6°180.0°
C20C19C18H181174.7°60.0°
C20C19H192H191118.5°120.0°
C19C20C23H23265.6°59.9°
C19C20C23H231174.1°180.0°
F22C20C19H19255.2°60.0°
F22C20C19H191174.2°60.0°
F22C20C23H232175.3°60.1°
F22C20C23H23155.1°60.0°
F21C20C19H19263.6°180.0°
F21C20C19H19155.5°60.0°
F21C20C23H23256.8°180.0°
F21C20C23H23163.5°59.9°
H101C10C11H1110.1°0.2°
H111C11C12H1210.6°0.0°
H182C18C19H19254.9°60.0°
H182C18C19H191174.0°60.0°
H181C18C19H19264.8°179.9°
H181C18C19H19154.2°60.0°
H232C23C24H24258.8°180.0°
H232C23C24H241178.0°60.0°
H231C23C24H24261.4°60.0°
H231C23C24H24157.8°60.0°
H271C27C28H2811.7°0.1°
H281C28C29H2910.3°0.0°
H291C29C30H3010.5°0.3°
H301C30C31H3110.1°0.5°

223532

PDB entries from 2024-08-07

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