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77Z

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C51O55doub1.21Å1.23Å
C50C51sing1.51Å1.51Å
C51N54sing1.35Å1.33Å
N54HN54sing0.97Å1.00Å
N54HN5Asing0.97Å1.00Å
O49C50sing1.43Å1.43Å
C50H50sing1.09Å1.10Å
C50H50Asing1.09Å1.10Å
C19O49sing1.36Å1.38Å
C20C19doub1.39Å1.41ÅAromatic
C18C19sing1.39Å1.39ÅAromatic
C17C18doub1.38Å1.39ÅAromatic
C18H18sing1.08Å1.08Å
C14C20sing1.38Å1.38ÅAromatic
C20H20sing1.08Å1.08Å
S15C14sing1.77Å1.69Å
C13C14doub1.39Å1.34ÅAromatic
N16S15sing1.67Å1.70Å
S15O21doub1.42Å1.46Å
S15O22doub1.42Å1.46Å
C11N16sing1.48Å1.44Å
N16HN16sing0.97Å1.00Å
N12C13sing1.40Å1.35Å
C13C17sing1.39Å1.37ÅAromatic
C17H17sing1.08Å1.08Å
C11N12sing1.46Å1.45Å
N12HN12sing0.97Å1.00Å
C9C11sing1.53Å1.48Å
C11H11sing1.09Å1.10Å
C10C9sing1.52Å1.47Å
C8C9sing1.51Å1.47Å
C9H9sing1.09Å1.10Å
N7C8sing1.34Å1.36Å
C8O24doub1.21Å1.26Å
C4C10sing1.47Å1.47Å
C10O23doub1.21Å1.35Å
C5C4doub1.39Å1.39ÅAromatic
C3C4sing1.41Å1.47ÅAromatic
C6C5sing1.38Å1.39ÅAromatic
C5H5sing1.08Å1.08Å
C1C6doub1.39Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C2C3doub1.39Å1.34ÅAromatic
C3N7sing1.39Å1.36Å
C1C2sing1.38Å1.35ÅAromatic
C2H2sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C33N7sing1.47Å1.47Å
C34C33sing1.53Å1.55Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C34C37sing1.53Å1.54Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C40C37sing1.53Å1.53Å
C37C44sing1.53Å1.53Å
C37H37sing1.09Å1.10Å
C44H44sing1.09Å1.10Å
C44H44Asing1.09Å1.10Å
C44H44Bsing1.09Å1.10Å
C40H40sing1.09Å1.10Å
C40H40Asing1.09Å1.10Å
C40H40Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O55C51C50119.3°120.0°
O55C51N54123.0°120.0°
C50C51N54117.5°120.0°
C51C50O49111.8°109.5°
C51C50H50108.7°109.5°
C51C50H50A108.2°109.5°
C51N54HN54109.7°120.0°
C51N54HN5A125.1°120.0°
HN54N54HN5A125.2°120.0°
O49C50H50108.7°109.4°
O49C50H50A108.2°109.4°
C50O49C19118.8°117.1°
H50C50H50A111.3°109.5°
O49C19C20123.0°120.2°
O49C19C18118.1°120.1°
C20C19C18119.0°119.7°
C19C20C14119.9°120.0°
C19C20H20120.0°120.0°
C19C18C17118.6°120.2°
C19C18H18120.7°119.9°
C17C18H18120.7°119.9°
C18C17C13121.7°120.3°
C18C17H17119.1°119.9°
C14C20H20120.1°120.0°
C20C14S15120.4°119.8°
C20C14C13121.0°120.6°
S15C14C13118.6°119.5°
C14S15N16108.1°104.8°
C14S15O21108.0°106.7°
C14S15O22108.5°106.7°
C14C13N12123.4°122.1°
C14C13C17119.8°119.1°
N16S15O21108.6°106.8°
N16S15O22110.6°106.8°
S15N16C11115.6°115.9°
S15N16HN16107.5°122.0°
O21S15O22112.9°123.5°
C11N16HN16107.5°122.1°
N16C11N12111.5°108.7°
N16C11C9104.3°109.6°
N16C11H11113.0°109.6°
N12C13C17116.8°118.8°
C13N12C11128.0°123.3°
C13N12HN12103.7°118.3°
C13C17H17119.2°119.8°
C11N12HN12103.7°118.3°
N12C11C9113.3°109.6°
N12C11H11103.9°109.6°
C9C11H11111.1°109.7°
C11C9C10118.2°109.6°
C11C9C8123.4°109.6°
C11C9H968.9°109.6°
C10C9C8118.4°108.8°
C10C9H9145.9°109.6°
C9C10C4117.6°116.8°
C9C10O23121.7°121.6°
C8C9H966.1°109.6°
C9C8N7121.4°121.9°
C9C8O24117.4°119.0°
N7C8O24121.2°119.0°
C8N7C3122.9°122.3°
C8N7C33118.3°118.9°
C4C10O23120.7°121.6°
C10C4C5120.4°121.6°
C10C4C3118.9°118.1°
C5C4C3120.7°120.3°
C4C5C6117.7°119.5°
C4C5H5121.1°120.2°
C4C3C2117.9°119.3°
C4C3N7120.7°119.8°
C6C5H5121.1°120.3°
C5C6C1120.4°120.3°
C5C6H6119.8°119.8°
C1C6H6119.8°119.9°
C6C1C2121.5°120.8°
C6C1H1119.3°119.6°
C2C3N7121.4°120.9°
C3C2C1121.8°119.9°
C3C2H2119.1°120.1°
C3N7C33118.7°118.8°
C1C2H2119.1°120.0°
C2C1H1119.3°119.6°
N7C33C34108.2°109.4°
N7C33H33109.9°109.5°
N7C33H33A110.2°109.4°
C34C33H33109.9°109.5°
C34C33H33A110.2°109.5°
C33C34C37118.3°109.4°
C33C34H34106.6°109.5°
C33C34H34A104.6°109.5°
H33C33H33A108.5°109.5°
C37C34H34106.6°109.4°
C37C34H34A104.6°109.5°
C34C37C40113.5°109.5°
C34C37C44113.2°109.4°
C34C37H37103.3°109.5°
H34C34H34A116.7°109.5°
C40C37C44107.6°109.4°
C40C37H37109.4°109.5°
C37C40H40109.5°109.5°
C37C40H40A109.5°109.5°
C37C40H40B109.5°109.5°
C44C37H37109.7°109.5°
C37C44H44109.5°109.5°
C37C44H44A109.5°109.4°
C37C44H44B109.5°109.5°
H44C44H44A109.5°109.5°
H44C44H44B109.4°109.4°
H44AC44H44B109.5°109.5°
H40C40H40A109.5°109.4°
H40C40H40B109.5°109.5°
H40AC40H40B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O55C51C50N54176.5°179.7°
O55C51N54HN542.1°0.0°
O55C51N54HN5A177.9°180.0°
O55C51C50O49171.3°0.0°
O55C51C50H5068.7°120.0°
O55C51C50H50A52.3°120.0°
C50C51N54HN54178.4°179.7°
C50C51N54HN5A1.6°0.3°
C51C50O49H50120.0°120.0°
C51C50O49H50A119.0°120.0°
C51C50H50H50A119.0°120.1°
C51C50O49C19176.3°179.9°
C51N54HN54HN5A180.0°179.9°
N54C51C50O4912.2°179.7°
N54C51C50H50107.8°60.3°
N54C51C50H50A131.2°59.7°
O49C50H50H50A119.0°119.9°
C50O49C19C201.8°179.7°
C50O49C19C18177.2°0.1°
H50C50O49C1956.3°59.9°
H50AC50O49C1964.7°60.0°
O49C19C20C18179.1°179.7°
O49C19C18C17179.1°179.6°
O49C19C18H180.8°0.3°
O49C19C20C14179.4°179.7°
O49C19C20H200.6°0.2°
C20C19C18C170.0°0.7°
C20C19C18H18179.9°179.4°
C19C20C14H20180.0°180.0°
C19C20C14S15179.5°179.3°
C19C20C14C130.9°0.3°
C19C18C17H18180.0°179.9°
C18C19C20C140.4°0.6°
C18C19C20H20179.6°179.4°
C19C18C17C130.2°0.1°
C19C18C17H17179.8°179.9°
C18C17C13C140.7°1.0°
C18C17C13N12178.1°178.2°
C18C17C13H17180.0°179.9°
H18C18C17C13179.8°179.8°
H18C18C17H170.2°0.0°
C20C14S15C13178.7°179.6°
C20C14S15N16167.6°169.5°
C20C14S15O2175.1°56.4°
C20C14S15O2247.6°77.4°
C20C14C13N12178.3°178.0°
C20C14C13C171.1°1.1°
H20C20C14S150.4°0.7°
H20C20C14C13179.1°179.7°
C14S15N16O21116.9°113.0°
C14S15N16O22118.7°113.0°
C14S15O21O22120.0°124.0°
C14S15N16C1135.4°39.6°
C14S15N16HN1684.6°140.3°
S15C14C13N123.1°2.3°
S15C14C13C17179.7°178.6°
C13C14S15N1613.7°10.8°
C13C14S15O21103.6°123.9°
C13C14S15O22133.7°102.3°
C14C13N12C17177.3°179.1°
C14C13C17H17179.3°179.2°
C14C13N12C1113.2°22.2°
C14C13N12HN12133.2°157.7°
N16S15O21O22123.1°124.3°
S15N16C11HN16120.0°179.9°
S15N16C11N1244.2°58.2°
S15N16C11C9166.8°61.5°
S15N16C11H1172.4°178.1°
O21S15N16C1181.4°152.6°
O21S15N16HN16158.6°27.3°
O22S15N16C11154.1°73.5°
O22S15N16HN1634.1°106.7°
N16C11N12C1335.1°50.0°
N16C11N12C9117.3°119.8°
N16C11N12H11122.0°119.9°
N16C11N12HN12155.1°129.9°
N16C11C9H11122.1°120.4°
N16C11C9C1033.6°60.3°
N16C11C9C8148.8°179.7°
N16C11C9H9109.5°60.0°
HN16N16C11N1275.8°121.6°
HN16N16C11C946.8°118.6°
HN16N16C11H11167.6°1.8°
N12C13C17H171.9°1.7°
C13N12C11HN12120.0°179.9°
C13N12C11C9152.4°69.7°
C13N12C11H1186.9°169.9°
C17C13N12C11169.5°158.7°
C17C13N12HN1249.5°21.4°
N12C11C9H11116.5°120.4°
N12C11C9C10155.0°179.5°
N12C11C9C827.4°61.1°
N12C11C9H911.9°59.2°
HN12N12C11C987.6°110.3°
HN12N12C11H1133.1°10.1°
C11C9C10C8177.7°119.9°
C11C9C10H993.6°120.3°
C11C9C8H940.2°120.3°
C11C9C8N7178.4°91.0°
C11C9C8O242.5°89.0°
C11C9C10C4179.8°80.2°
C11C9C10O230.8°99.8°
H11C11C9C1088.5°60.1°
H11C11C9C889.1°59.3°
H11C11C9H9128.4°179.6°
C10C9C8H9142.2°119.8°
C10C9C8N70.8°28.9°
C10C9C8O24179.9°151.1°
C9C10C4O23179.1°179.9°
C9C10C4C5178.6°152.8°
C9C10C4C32.0°27.2°
C9C8N7O24179.0°180.0°
C8C9C10C42.4°39.7°
C8C9C10O23178.5°140.4°
C9C8N7C31.4°3.2°
C9C8N7C33179.5°177.0°
H9C9C8N7141.3°148.7°
H9C9C8O2437.7°31.3°
H9C9C10C486.3°159.5°
H9C9C10O2392.8°20.5°
C8N7C3C41.9°13.6°
C8N7C3C2177.9°166.6°
C8N7C3C33178.1°179.9°
C8N7C33C3499.0°90.1°
C8N7C33H3321.0°30.0°
C8N7C33H33A140.5°150.0°
O24C8N7C3177.6°176.8°
O24C8N7C330.5°3.0°
C10C4C5C3179.4°180.0°
C10C4C5C6179.7°179.6°
C10C4C5H50.4°0.4°
C10C4C3C2179.7°179.4°
C10C4C3N70.1°0.8°
O23C10C4C50.5°27.1°
O23C10C4C3178.9°152.9°
C4C5C6H5180.0°180.0°
C4C5C6C10.5°0.0°
C4C5C6H6179.5°180.0°
C5C4C3C20.9°0.6°
C5C4C3N7179.3°179.2°
C3C4C5C60.9°0.4°
C3C4C5H5179.0°179.6°
C4C3C2N7179.8°179.8°
C4C3C2C10.4°0.4°
C4C3C2H2179.6°179.6°
C4C3N7C33180.0°166.3°
C5C6C1H6180.0°180.0°
C5C6C1C20.1°0.2°
C5C6C1H1179.9°179.8°
H5C5C6C1179.5°180.0°
H5C5C6H60.5°0.0°
C6C1C2C30.1°0.0°
C6C1C2H1180.0°180.0°
C6C1C2H2179.9°180.0°
H6C6C1C2179.9°179.8°
H6C6C1H10.1°0.2°
C3C2C1H2180.0°180.0°
C3C2C1H1179.9°180.0°
C2C3N7C330.2°13.5°
N7C3C2C1179.8°179.4°
N7C3C2H20.1°0.6°
C3N7C33C3482.8°90.1°
C3N7C33H33157.2°149.9°
C3N7C33H33A37.7°29.9°
H2C2C1H10.1°0.0°
N7C33C34H33120.0°120.0°
N7C33C34H33A120.5°119.9°
N7C33H33H33A120.5°120.0°
N7C33C34C3751.5°179.9°
N7C33C34H34171.5°60.0°
N7C33C34H34A64.3°60.0°
C34C33H33H33A120.5°120.1°
C33C34C37H34120.0°120.0°
C33C34C37H34A115.8°120.0°
C33C34H34H34A116.3°120.0°
C33C34C37C40170.4°65.1°
C33C34C37C4466.6°175.0°
C33C34C37H3752.0°55.0°
H33C33C34C3768.5°60.0°
H33C33C34H3451.5°180.0°
H33C33C34H34A175.7°60.0°
H33AC33C34C37172.0°60.0°
H33AC33C34H3468.0°59.9°
H33AC33C34H34A56.2°179.9°
C37C34H34H34A116.4°120.0°
C34C37C40C44126.1°119.9°
C34C37C40H37114.8°120.1°
C34C37C44H37114.8°120.0°
C34C37C44H44113.5°60.0°
C34C37C44H44A126.4°180.0°
C34C37C44H44B6.5°60.0°
C34C37C40H4033.6°59.9°
C34C37C40H40A153.6°60.0°
C34C37C40H40B86.4°180.0°
H34C34C37C4069.6°175.0°
H34C34C37C4453.4°55.0°
H34C34C37H37172.0°64.9°
H34AC34C37C4054.6°55.0°
H34AC34C37C44177.6°65.0°
H34AC34C37H3763.8°175.1°
C40C37C44H37119.0°120.0°
C40C37C44H4412.7°60.0°
C40C37C44H44A107.3°60.0°
C40C37C44H44B132.7°180.0°
C37C40H40H40A120.0°120.0°
C37C40H40H40B120.0°120.0°
C37C40H40AH40B120.0°120.0°
C37C44H44H44A120.0°120.0°
C37C44H44H44B120.0°120.0°
C37C44H44AH44B120.0°120.0°
C44C37C40H40159.7°60.0°
C44C37C40H40A80.3°180.0°
C44C37C40H40B39.6°60.0°
H37C37C44H44131.7°180.0°
H37C37C44H44A11.6°60.0°
H37C37C44H44B108.4°60.0°
H37C37C40H4081.2°180.0°
H37C37C40H40A38.8°60.0°
H37C37C40H40B158.8°60.0°
H44C44H44AH44B120.0°120.0°
H40C40H40AH40B120.0°119.9°

222415

PDB entries from 2024-07-10

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