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RMJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C24C25sing1.54Å1.52Å
C24C23sing1.53Å1.51Å
C25C26sing1.54Å1.53Å
C23S20sing1.76Å1.71ÅAromatic
C23C22doub1.32Å1.44ÅAromatic
S20C19sing1.75Å1.66ÅAromatic
C26C22sing1.53Å1.53Å
C22C21sing1.47Å1.51ÅAromatic
C19C21doub1.39Å1.39ÅAromatic
C19N18sing1.34Å1.34ÅAromatic
C21C02sing1.42Å1.42ÅAromatic
N18C04doub1.32Å1.32ÅAromatic
C02N01sing1.38Å1.45Å
C02N03doub1.32Å1.33ÅAromatic
C04N03sing1.33Å1.34ÅAromatic
C04S05sing1.76Å1.81Å
S05C06sing1.81Å1.83Å
C14C15sing1.53Å1.45Å
C14C13sing1.53Å1.44Å
C15C16sing1.53Å1.53Å
C13C12sing1.53Å1.54Å
C06C07sing1.51Å1.54Å
O17C07doub1.21Å1.18Å
C07N08sing1.35Å1.46Å
C16N11sing1.47Å1.44Å
C12N11sing1.47Å1.45Å
N11C10sing1.47Å1.22Å
C10C09sing1.53Å1.53Å
N08C09sing1.47Å1.46Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C13H6sing1.09Å1.10Å
N01H7sing0.97Å1.00Å
N01H8sing0.97Å1.00Å
C06H9sing1.09Å1.10Å
C06H10sing1.09Å1.10Å
N08H11sing0.97Å1.00Å
C09H12sing1.09Å1.10Å
C09H13sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C24H21sing1.09Å1.10Å
C24H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C26H25sing1.09Å1.10Å
C26H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C25C24C23102.7°104.8°
C24C25C26105.1°101.8°
C25C24H21111.2°110.3°
C25C24H22111.1°110.4°
C24C25H23110.6°111.1°
C24C25H24110.6°111.0°
C24C23S20144.1°138.1°
C24C23C22108.8°110.6°
C23C24H21111.1°110.9°
C23C24H22111.1°109.9°
C25C26C22101.8°105.0°
C26C25H23110.6°110.4°
C26C25H24110.5°111.4°
C25C26H25111.3°110.4°
C25C26H26111.3°110.3°
S20C23C22107.1°111.3°
C23S20C19100.4°92.4°
C23C22C26108.9°110.2°
C23C22C21109.8°113.9°
S20C19C21107.7°109.6°
S20C19N18132.6°131.2°
C26C22C21141.2°135.9°
C22C26H25111.3°109.9°
C22C26H26111.4°110.7°
C22C21C19115.0°112.7°
C22C21C02125.8°129.3°
C21C19N18119.7°119.1°
C19C21C02119.3°118.0°
C19N18C04119.9°120.8°
C21C02N01121.5°120.6°
C21C02N03117.1°118.8°
N18C04N03122.2°122.1°
N18C04S05116.9°119.0°
N01C02N03121.5°120.6°
C02N01H7109.5°120.0°
C02N01H8109.4°120.0°
C02N03C04121.9°121.1°
N03C04S05120.9°119.0°
C04S05C06110.7°100.0°
S05C06C07113.8°109.5°
S05C06H9108.4°109.5°
S05C06H10108.4°109.5°
C15C14C13113.9°109.2°
C14C15C16115.2°109.3°
C15C14H15108.4°109.5°
C15C14H16108.4°109.5°
C14C15H17108.1°109.5°
C14C15H18108.0°109.5°
C14C13C12113.4°109.3°
C14C13H5108.5°109.5°
C14C13H6108.5°109.5°
C13C14H15108.4°109.5°
C13C14H16108.4°109.5°
C15C16N11115.0°109.5°
C16C15H17108.0°109.5°
C16C15H18108.0°109.5°
C15C16H19108.1°109.5°
C15C16H20108.1°109.5°
C13C12N11118.1°109.6°
C13C12H3107.3°109.4°
C13C12H4107.3°109.4°
C12C13H5108.5°109.4°
C12C13H6108.5°109.5°
C06C07O17119.6°119.9°
C06C07N08121.3°120.0°
C07C06H9108.4°109.5°
C07C06H10108.4°109.4°
O17C07N08119.1°120.1°
C07N08C09122.4°120.0°
C07N08H11118.8°120.1°
C16N11C12114.9°111.2°
C16N11C10109.3°111.0°
N11C16H19108.1°109.5°
N11C16H20108.1°109.5°
C12N11C10114.8°111.0°
N11C12H3107.2°109.5°
N11C12H4107.3°109.5°
N11C10C09115.1°109.4°
N11C10H1108.1°109.5°
N11C10H2108.0°109.5°
C10C09N08109.8°109.4°
C09C10H1108.0°109.4°
C09C10H2108.0°109.5°
C10C09H12109.4°109.4°
C10C09H13109.4°109.5°
C09N08H11118.8°120.0°
N08C09H12109.4°109.5°
N08C09H13109.4°109.5°
H1C10H2109.5°109.5°
H3C12H4109.4°109.5°
H5C13H6109.5°109.5°
H7N01H8109.5°120.0°
H9C06H10109.5°109.5°
H12C09H13109.5°109.5°
H15C14H16109.5°109.6°
H17C15H18109.5°109.6°
H19C16H20109.4°109.5°
H21C24H22109.5°110.4°
H23C25H24109.4°110.8°
H25C26H26109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C25C24C23H21118.9°119.1°
C25C24C23H22118.9°118.6°
C24C25C26H23119.3°118.0°
C24C25C26H24119.3°118.4°
C25C24C23S20158.7°162.4°
C25C24C23C2221.5°16.9°
C24C25C26C2233.8°26.1°
C25C24H21H22123.2°122.3°
C24C25H23H24122.1°123.9°
C24C25C26H2584.9°92.3°
C24C25C26H26152.6°145.4°
C23C24C25C2634.3°25.9°
C24C23S20C22179.8°179.4°
C24C23S20C19179.4°180.0°
C24C23C22C260.4°0.2°
C24C23C22C21179.7°179.4°
C23C24H21H22123.1°122.0°
C23C24C25H23153.7°91.6°
C23C24C25H2485.0°144.6°
C25C26C22C2320.7°17.4°
C25C26C22H25118.7°118.7°
C25C26C22H26118.8°119.1°
C25C26C22C21158.3°163.7°
C26C25C24H21153.2°145.4°
C26C25C24H2284.6°92.4°
C26C25H23H24122.0°124.0°
C25C26H25H26123.5°122.3°
S20C23C22C26179.7°179.8°
S20C23C22C210.5°1.0°
C23S20C19C211.0°0.0°
C23S20C19N18179.7°179.4°
S20C23C24H2139.8°43.4°
S20C23C24H2282.4°79.0°
C22C23S20C190.8°0.6°
C23C22C26C21178.9°178.9°
C23C22C21C190.2°1.1°
C23C22C21C02179.8°179.7°
C22C23C24H21140.5°136.0°
C22C23C24H2297.4°101.7°
C23C22C26H2598.1°101.3°
C23C22C26H26139.4°136.5°
S20C19C21C220.8°0.6°
S20C19C21N18179.5°179.5°
S20C19C21C02179.6°179.9°
S20C19N18C04179.5°179.7°
C26C22C21C19178.7°180.0°
C26C22C21C020.8°0.8°
C22C26C25H23153.1°91.9°
C22C26C25H2485.5°144.5°
C22C26H25H26123.6°122.4°
C22C21C19C02179.6°179.4°
C22C21C19N18179.7°179.9°
C22C21C02N010.1°0.5°
C22C21C02N03179.7°179.8°
C21C22C26H2583.0°77.7°
C21C22C26H2639.5°44.6°
C21C19N18C040.2°0.3°
C19C21C02N01179.4°179.8°
C19C21C02N030.1°0.6°
N18C19C21C020.1°0.6°
C19N18C04N030.2°0.0°
C19N18C04S05179.3°180.0°
C21C02N01N03179.6°179.6°
C21C02N03C040.2°0.3°
C21C02N01H7179.6°179.6°
C21C02N01H860.4°0.4°
N18C04N03C020.3°0.0°
N18C04N03S05179.5°180.0°
N18C04S05C06120.7°180.0°
N01C02N03C04179.4°180.0°
C02N01H7H8120.0°180.0°
C02N03C04S05179.3°179.9°
N03C02N01H70.0°0.0°
N03C02N01H8120.0°180.0°
N03C04S05C0659.7°0.0°
C04S05C06C0785.2°180.0°
C04S05C06H9154.2°60.0°
C04S05C06H1035.5°60.0°
S05C06C07H9120.6°120.0°
S05C06C07H10120.7°120.0°
S05C06C07O1731.9°0.0°
S05C06C07N08148.6°180.0°
S05C06H9H10118.0°120.0°
C15C14C13H15120.6°119.9°
C15C14C13H16120.6°119.9°
C14C15C16H17120.9°119.9°
C14C15C16H18120.8°120.0°
C15C14C13C1234.1°57.6°
C14C15C16N1123.9°59.2°
C15C14C13H5154.8°62.2°
C15C14C13H686.4°177.6°
C15C14H15H16118.0°120.1°
C14C15H17H18117.4°120.1°
C14C15C16H19144.7°60.9°
C14C15C16H2097.0°179.2°
C13C14C15C1654.2°57.7°
C14C13C12H5120.6°119.9°
C14C13C12H6120.6°120.0°
C14C13C12N1114.0°59.1°
C14C13C12H3135.2°60.9°
C14C13C12H4107.3°179.2°
C14C13H5H6118.2°120.1°
C13C14H15H16118.0°120.2°
C13C14C15H1766.7°62.2°
C13C14C15H18175.0°177.6°
C15C16N11H19120.8°120.0°
C15C16N11H20120.8°120.0°
C15C16N11C1223.7°61.8°
C15C16N11C10107.1°174.2°
C16C15C14H1566.5°177.5°
C16C15C14H16174.8°62.3°
C16C15H17H18117.4°120.1°
C15C16H19H20117.4°120.0°
C13C12N11C1643.6°61.7°
C13C12N11H3121.2°119.9°
C13C12N11H4121.3°120.0°
C13C12N11C1084.4°174.2°
C13C12H3H4116.1°119.9°
C12C13H5H6118.2°120.1°
C12C13C14H1586.5°177.5°
C12C13C14H16154.8°62.3°
C06C07O17N08179.5°180.0°
C06C07N08C090.0°180.0°
C07C06H9H10118.0°119.9°
C06C07N08H11180.0°0.0°
O17C07N08C09179.5°0.0°
O17C07C06H988.8°120.0°
O17C07C06H10152.5°120.0°
O17C07N08H110.5°180.0°
C07N08C09C1081.3°180.0°
C07N08C09H11180.0°180.0°
N08C07C06H990.7°60.0°
N08C07C06H1028.0°60.0°
C07N08C09H1238.7°60.1°
C07N08C09H13158.6°60.0°
C16N11C12C10128.1°124.0°
C16N11C10C09177.8°65.8°
C16N11C10H157.0°174.2°
C16N11C10H261.4°54.2°
C16N11C12H3164.9°58.2°
C16N11C12H477.6°178.2°
N11C16C15H1797.0°60.7°
N11C16C15H18144.7°179.1°
N11C16H19H20117.5°120.0°
C12N11C10C0951.4°170.0°
C12N11C10H1172.2°50.0°
C12N11C10H269.4°70.0°
N11C12H3H4116.1°120.1°
N11C12C13H5106.6°60.8°
N11C12C13H6134.6°179.2°
C12N11C16H1997.2°58.3°
C12N11C16H20144.5°178.2°
N11C10C09H1120.8°120.0°
N11C10C09H2120.8°120.0°
N11C10C09N08159.4°180.0°
N11C10H1H2117.4°120.1°
C10N11C12H336.8°65.8°
C10N11C12H4154.3°54.2°
N11C10C09H1239.4°60.0°
N11C10C09H1380.5°60.1°
C10N11C16H19132.1°65.8°
C10N11C16H2013.7°54.2°
C10C09N08H12120.1°119.9°
C10C09N08H13120.0°120.0°
C09C10H1H2117.4°120.0°
C10C09N08H1198.7°0.0°
C10C09H12H13119.8°120.0°
N08C09C10H179.7°60.0°
N08C09C10H238.6°60.0°
N08C09H12H13119.9°120.0°
H1C10C09H12160.2°60.0°
H1C10C09H1340.3°180.0°
H2C10C09H1281.5°179.9°
H2C10C09H13158.6°60.0°
H3C12C13H514.6°179.2°
H3C12C13H6104.2°59.2°
H4C12C13H5132.1°59.3°
H4C12C13H613.3°60.7°
H5C13C14H1534.1°57.6°
H5C13C14H1684.6°177.9°
H6C13C14H15152.9°62.5°
H6C13C14H1634.2°57.7°
H11N08C09H12141.3°119.9°
H11N08C09H1321.4°120.0°
H15C14C15H17172.7°57.7°
H15C14C15H1854.3°62.5°
H16C14C15H1754.0°177.9°
H16C14C15H1864.4°57.7°
H17C15C16H1923.9°179.3°
H17C15C16H20142.2°59.3°
H18C15C16H1994.5°59.1°
H18C15C16H2023.9°60.9°
H21C24C25H2387.5°27.9°
H21C24C25H2433.9°96.0°
H22C24C25H2334.7°150.2°
H22C24C25H24156.1°26.3°
H23C25C26H2534.4°149.8°
H23C25C26H2688.1°27.5°
H24C25C26H25155.7°26.1°
H24C25C26H2633.3°96.2°

224931

PDB entries from 2024-09-11

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