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H1B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C05sing1.53Å1.51Å
C05N08sing1.46Å1.47Å
N08C09sing1.36Å1.37Å
N08C32sing1.34Å1.40Å
C09C11doub1.36Å1.35Å
C11C12sing1.48Å1.50Å
C11C26sing1.47Å1.44Å
C12C13sing1.39Å1.39ÅAromatic
C12C20doub1.39Å1.39ÅAromatic
C13C15doub1.38Å1.39ÅAromatic
C15C17sing1.38Å1.38ÅAromatic
C17C19doub1.38Å1.39ÅAromatic
C19C20sing1.38Å1.39ÅAromatic
C19C22sing1.51Å1.50Å
C22F23sing1.40Å1.34Å
C22F24sing1.40Å1.34Å
C22F25sing1.40Å1.31Å
C26S27sing1.76Å1.74ÅAromatic
C26C31doub1.40Å1.42ÅAromatic
S27C28sing1.76Å1.73ÅAromatic
C28C29doub1.34Å1.36ÅAromatic
C28C34sing1.47Å1.45Å
C29C31sing1.40Å1.41ÅAromatic
C31C32sing1.47Å1.45Å
C32O33doub1.22Å1.23Å
C34N35sing1.38Å1.34Å
C34N37doub1.31Å1.27Å
N37C39sing1.46Å1.45Å
C39C41sing1.53Å1.51Å
C39C53sing1.53Å1.52Å
C41C44sing1.53Å1.51Å
C44S47sing1.82Å1.76Å
S47O48doub1.42Å1.43Å
S47O49doub1.42Å1.43Å
S47C50sing1.82Å1.77Å
C50C53sing1.53Å1.53Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C09H09sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C29H29sing1.08Å1.08Å
N35H351sing0.97Å1.00Å
N35H352sing0.97Å1.00Å
C39H39sing1.09Å1.10Å
C41H411sing1.09Å1.10Å
C41H412sing1.09Å1.10Å
C53H531sing1.09Å1.10Å
C53H532sing1.09Å1.10Å
C44H441sing1.09Å1.10Å
C44H442sing1.09Å1.10Å
C50H501sing1.09Å1.10Å
C50H502sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C05N08107.8°109.4°
C05C01H011109.5°109.5°
C05C01H012109.5°109.5°
C05C01H013109.5°109.5°
C01C05H051109.9°109.5°
C01C05H052109.9°109.4°
C05N08C09119.8°118.8°
C05N08C32117.7°118.9°
N08C05H051109.9°109.5°
N08C05H052109.9°109.5°
C09N08C32122.5°122.3°
N08C09C11124.2°121.4°
N08C09H09117.9°119.3°
N08C32C31116.8°120.2°
N08C32O33121.9°119.9°
C09C11C12119.4°120.1°
C09C11C26115.8°119.7°
C11C09H09117.9°119.3°
C12C11C26124.8°120.1°
C11C12C13120.4°120.1°
C11C12C20120.7°120.2°
C11C26S27126.4°131.5°
C11C26C31122.3°118.8°
C13C12C20118.9°119.7°
C12C13C15120.5°119.9°
C12C13H13119.8°120.1°
C12C20C19120.6°119.9°
C12C20H20119.7°120.0°
C13C15C17120.1°120.1°
C15C13H13119.8°120.1°
C13C15H15120.0°119.9°
C15C17C19120.4°120.2°
C17C15H15120.0°119.9°
C15C17H17119.8°119.9°
C17C19C20119.5°120.1°
C17C19C22120.6°119.9°
C19C17H17119.8°119.9°
C20C19C22120.0°119.9°
C19C20H20119.7°120.1°
C19C22F23112.6°109.5°
C19C22F24112.7°109.5°
C19C22F25111.3°109.4°
F23C22F24108.4°109.5°
F23C22F25107.6°109.5°
F24C22F25103.7°109.5°
S27C26C31111.3°109.7°
C26S27C2891.5°91.5°
C26C31C29110.3°112.7°
C26C31C32118.3°117.5°
S27C28C29111.7°110.5°
S27C28C34125.0°124.8°
C29C28C34123.2°124.7°
C28C29C31115.1°115.6°
C28C29H29122.5°122.2°
C28C34N35119.1°120.0°
C28C34N37115.5°120.0°
C29C31C32131.3°129.8°
C31C29H29122.4°122.2°
C31C32O33121.3°119.9°
N35C34N37124.8°120.0°
C34N35H351120.0°120.0°
C34N35H352120.0°120.0°
C34N37C39128.7°120.0°
N37C39C41108.8°109.3°
N37C39C53110.5°109.3°
N37C39H39109.2°109.3°
C41C39C53111.7°110.6°
C39C41C44111.6°110.0°
C41C39H39108.4°109.2°
C39C41H411108.9°109.4°
C39C41H412109.0°109.4°
C39C53C50117.6°110.0°
C53C39H39108.2°109.2°
C39C53H531107.4°109.4°
C39C53H532107.4°109.3°
C41C44S47110.5°109.0°
C44C41H411108.9°109.4°
C44C41H412108.9°109.4°
C41C44H441109.2°109.6°
C41C44H442109.2°109.5°
C44S47O48109.1°108.7°
C44S47O49109.2°108.6°
C44S47C50101.1°101.3°
S47C44H441109.2°109.6°
S47C44H442109.2°109.6°
O48S47O49117.9°119.3°
O48S47C50109.1°108.7°
O49S47C50109.1°108.8°
S47C50C53111.4°109.0°
S47C50H501109.0°109.5°
S47C50H502109.0°109.6°
C50C53H531107.4°109.4°
C50C53H532107.4°109.4°
C53C50H501109.0°109.5°
C53C50H502109.0°109.6°
H011C01H012109.4°109.5°
H011C01H013109.5°109.5°
H012C01H013109.5°109.4°
H051C05H052109.5°109.4°
H351N35H352120.0°120.0°
H411C41H412109.5°109.3°
H531C53H532109.5°109.3°
H441C44H442109.5°109.6°
H501C50H502109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C05N08H051119.7°120.0°
C01C05N08H052119.8°120.0°
C01C05N08C0997.8°90.0°
C01C05N08C3280.9°90.3°
C05C01H011H012120.0°120.0°
C05C01H011H013120.0°120.0°
C05C01H012H013120.0°120.0°
C01C05H051H052120.8°119.9°
C05N08C09C32178.6°179.7°
C05N08C09C11179.2°179.9°
C05N08C32C31178.8°179.8°
C05N08C32O330.8°0.0°
N08C05C01H011180.0°60.1°
N08C05C01H01260.0°60.0°
N08C05C01H01360.0°180.0°
N08C05H051H052120.8°120.1°
C05N08C09H090.8°0.0°
N08C09C11H09180.0°179.9°
N08C09C11C12179.5°180.0°
N08C09C11C261.4°0.0°
C09N08C32C310.1°0.6°
C09N08C32O33179.4°179.7°
C09N08C05H051142.5°30.0°
C09N08C05H05222.0°150.0°
C32N08C09C110.6°0.3°
N08C32C31C260.5°0.6°
N08C32C31C29178.1°179.8°
N08C32C31O33179.5°179.7°
C32N08C05H05138.8°149.7°
C32N08C05H052159.3°29.7°
C32N08C09H09179.4°179.7°
C09C11C12C26179.1°180.0°
C09C11C12C1341.1°115.1°
C09C11C12C20138.3°65.3°
C09C11C26S27179.9°180.0°
C09C11C26C311.7°0.0°
C11C12C13C20179.4°179.7°
C11C12C13C15179.9°180.0°
C11C12C20C19179.3°179.7°
C12C11C26S270.8°0.0°
C12C11C26C31179.2°180.0°
C12C11C09H090.5°0.1°
C11C12C13H130.1°0.0°
C11C12C20H200.7°0.0°
C26C11C12C13139.8°65.0°
C26C11C12C2040.8°114.7°
C11C26S27C31178.6°180.0°
C11C26S27C28179.6°180.0°
C11C26C31C29179.4°180.0°
C11C26C31C321.3°0.3°
C26C11C09H09178.6°180.0°
C12C13C15H13180.0°180.0°
C12C13C15C170.8°0.0°
C13C12C20C190.2°0.7°
C13C12C20H20179.8°179.7°
C12C13C15H15179.2°180.0°
C20C12C13C150.7°0.3°
C12C20C19C170.9°0.7°
C12C20C19H20180.0°179.6°
C12C20C19C22179.0°179.7°
C20C12C13H13179.3°179.7°
C13C15C17H15180.0°179.9°
C13C15C17C190.0°0.0°
C13C15C17H17180.0°180.0°
C15C17C19H17180.0°179.9°
C15C17C19C200.9°0.3°
C15C17C19C22179.1°180.0°
C17C15C13H13179.2°179.9°
C17C19C20C22180.0°179.7°
C17C19C22F237.6°0.0°
C17C19C22F24130.6°120.0°
C17C19C22F25113.3°120.0°
C17C19C20H20179.0°179.7°
C19C17C15H15180.0°180.0°
C20C19C22F23172.4°179.7°
C20C19C22F2449.4°59.6°
C20C19C22F2566.7°60.4°
C20C19C17H17179.1°179.6°
C19C22F23F24125.4°120.0°
C19C22F23F25123.0°119.9°
C19C22F24F25120.5°120.0°
C22C19C20H201.0°0.0°
C22C19C17H170.9°0.0°
F23C22F24F25114.1°120.0°
C26S27C28C291.2°0.0°
C26S27C28C34176.1°180.0°
S27C26C31C292.0°0.1°
S27C26C31C32179.9°179.7°
C31C26S27C281.9°0.0°
C26C31C29C281.1°0.1°
C26C31C29C32177.8°179.6°
C26C31C32O33179.1°179.7°
C26C31C29H29178.9°180.0°
S27C28C29C34177.3°180.0°
S27C28C29C310.3°0.0°
S27C28C34N3532.5°180.0°
S27C28C34N37138.9°0.0°
S27C28C29H29179.7°180.0°
C28C29C31H29180.0°179.9°
C28C29C31C32178.9°179.7°
C29C28C34N35150.6°0.0°
C29C28C34N3738.1°180.0°
C34C28C29C31177.0°180.0°
C28C34N35N37170.5°179.9°
C28C34N37C39177.0°173.7°
C34C28C29H293.0°0.1°
C28C34N35H351170.5°4.6°
C28C34N35H3529.6°175.4°
C29C31C32O331.5°0.1°
C32C31C29H291.1°0.4°
N35C34N37C396.2°6.2°
C34N35H351H352180.0°180.0°
C34N37C39C41130.4°126.6°
C34N37C39C53106.6°112.3°
N37C34N35H3510.0°175.5°
N37C34N35H352180.0°4.5°
C34N37C39H3912.3°7.2°
N37C39C41C53122.2°120.3°
N37C39C41H39118.6°119.5°
N37C39C53H39119.5°119.5°
N37C39C41C44177.4°169.7°
N37C39C53C50175.4°169.7°
N37C39C41H41157.1°49.6°
N37C39C41H41262.3°70.1°
N37C39C53H53154.2°70.1°
N37C39C53H53263.4°49.6°
C41C39C53H39119.2°120.2°
C39C41C44H411120.3°120.2°
C39C41C44H412120.3°120.2°
C39C41C44S4766.3°63.7°
C41C39C53C5054.1°70.0°
C39C41H411H412119.0°119.7°
C41C39C53H53167.0°50.2°
C41C39C53H532175.3°169.9°
C39C41C44H44153.8°56.2°
C39C41C44H442173.5°176.4°
C53C39C41C4460.4°70.0°
C39C53C50S4751.7°63.7°
C39C53C50H531121.2°120.2°
C39C53C50H532121.2°120.1°
C53C39C41H411179.3°169.9°
C53C39C41H41259.9°50.2°
C39C53H531H532116.3°119.7°
C39C53C50H50168.5°56.2°
C39C53C50H502172.0°176.5°
C41C44S47H441120.1°119.9°
C41C44S47H442120.2°119.9°
C41C44S47O4857.0°60.1°
C41C44S47O49172.8°168.7°
C41C44S47C5057.8°54.3°
C44C41C39H3958.8°50.2°
C44C41H411H412119.0°119.7°
C41C44H441H442119.5°120.2°
C44S47O48O49125.2°125.2°
C44S47O48C50109.6°109.4°
C44S47O49C50109.6°109.5°
C44S47C50C5349.4°54.3°
S47C44C41H411173.4°176.2°
S47C44C41H41254.0°56.5°
S47C44H441H442119.5°120.3°
C44S47C50H50170.9°65.5°
C44S47C50H502169.7°174.2°
O48S47O49C50125.2°125.3°
O48S47C50C5365.5°60.1°
O48S47C44H441177.2°179.9°
O48S47C44H44263.1°59.8°
O48S47C50H501174.2°179.9°
O48S47C50H50254.8°59.8°
O49S47C50C53164.3°168.6°
O49S47C44H44152.6°48.8°
O49S47C44H44267.1°71.4°
O49S47C50H50144.1°48.8°
O49S47C50H50275.3°71.5°
S47C50C53H501120.3°119.8°
S47C50C53H502120.3°119.9°
S47C50C53H53169.4°56.5°
S47C50C53H532172.9°176.2°
C50S47C44H44162.3°65.6°
C50S47C44H442178.0°174.1°
S47C50H501H502119.1°120.3°
C50C53C39H3965.1°50.2°
C50C53H531H532116.3°119.7°
C53C50H501H502119.1°120.3°
H011C01H012H013120.0°120.0°
H011C01C05H05160.2°60.0°
H011C01C05H05260.3°179.9°
H012C01C05H05159.8°179.9°
H012C01C05H052179.8°60.0°
H013C01C05H051179.7°60.0°
H013C01C05H05259.8°60.0°
H13C13C15H150.8°0.0°
H15C15C17H170.0°0.1°
H39C39C41H41161.6°69.9°
H39C39C41H412179.1°170.4°
H39C39C53H531173.7°170.4°
H39C39C53H53256.1°69.9°
H411C41C44H44166.5°64.0°
H411C41C44H44253.2°56.3°
H412C41C44H441174.1°176.4°
H412C41C44H44266.2°63.4°
H531C53C50H501170.3°176.3°
H531C53C50H50250.9°63.4°
H532C53C50H50152.6°64.0°
H532C53C50H50266.8°56.4°

225946

PDB entries from 2024-10-09

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