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T18

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.40ÅAromatic
C1C3sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C2C4sing1.39Å1.39ÅAromatic
C2N11sing1.40Å1.41Å
C3C5doub1.39Å1.41ÅAromatic
C3H3sing1.08Å1.08Å
C4C6doub1.38Å1.38ÅAromatic
C4H4sing1.08Å1.08Å
C5C6sing1.39Å1.41ÅAromatic
C5N10sing1.39Å1.39Å
C6S7sing1.77Å1.77Å
S7C8sing1.77Å1.77Å
S7O16doub1.42Å1.40Å
S7O17doub1.42Å1.44Å
C8C9doub1.33Å1.36Å
C9N10sing1.38Å1.39Å
C9C26sing1.48Å1.50Å
N10HN10sing0.97Å1.00Å
N11S12sing1.66Å1.65Å
N11HN11sing0.97Å1.00Å
S12C13sing1.81Å1.81Å
S12O14doub1.42Å1.42Å
S12O15doub1.42Å1.43Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C13H13Bsing1.09Å1.10Å
C18C19doub1.39Å1.40ÅAromatic
C18C21sing1.38Å1.37ÅAromatic
C18F28sing1.35Å1.33Å
C19C20sing1.38Å1.38ÅAromatic
C19H19sing1.08Å1.08Å
C20C23doub1.39Å1.41ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.40Å1.41ÅAromatic
C21H21sing1.08Å1.08Å
C22C23sing1.41Å1.40ÅAromatic
C22C27sing1.47Å1.46Å
C23N24sing1.38Å1.39Å
N24C25sing1.34Å1.38Å
N24C30sing1.47Å1.48Å
C25C26sing1.42Å1.44Å
C25O31doub1.22Å1.22Å
C26C27doub1.39Å1.42Å
C27O29sing1.35Å1.35Å
O29HO29sing0.97Å0.95Å
C30C32sing1.51Å1.52Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C32C33doub1.38Å1.39ÅAromatic
C32C37sing1.38Å1.40ÅAromatic
C33C36sing1.38Å1.38ÅAromatic
C33H33sing1.08Å1.08Å
C34C35sing1.38Å1.39ÅAromatic
C34C36doub1.38Å1.39ÅAromatic
C34F38sing1.35Å1.35Å
C35C37doub1.38Å1.40ÅAromatic
C35H35sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
C37H37sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C3120.8°120.3°
C2C1H1119.6°119.8°
C1C2C4119.0°119.7°
C1C2N11121.2°120.2°
C3C1H1119.6°119.9°
C1C3C5119.7°120.3°
C1C3H3120.1°119.9°
C4C2N11119.7°120.1°
C2C4C6121.1°119.9°
C2C4H4119.5°120.1°
C2N11S12126.4°120.0°
C2N11HN11104.2°119.9°
C5C3H3120.1°119.8°
C3C5C6118.8°119.1°
C3C5N10120.7°119.4°
C6C4H4119.5°120.0°
C4C6C5120.6°120.7°
C4C6S7119.2°120.3°
C6C5N10120.5°121.4°
C5C6S7120.2°118.9°
C5N10C9125.2°126.1°
C5N10HN10117.4°117.0°
C6S7C8101.9°105.5°
C6S7O16112.2°106.7°
C6S7O17105.0°106.7°
C8S7O16110.8°106.7°
C8S7O17109.7°106.6°
S7C8C9121.0°119.1°
S7C8H8119.5°120.5°
O16S7O17116.2°123.5°
C8C9N10121.6°124.1°
C8C9C26116.7°117.9°
C9C8H8119.5°120.5°
N10C9C26121.2°118.0°
C9N10HN10117.4°117.0°
C9C26C25121.5°120.1°
C9C26C27121.6°120.2°
S12N11HN11104.2°120.1°
N11S12C13102.9°104.4°
N11S12O14105.2°104.3°
N11S12O15107.4°104.3°
C13S12O14112.4°110.5°
C13S12O15113.8°110.5°
S12C13H13109.5°109.4°
S12C13H13A109.5°109.5°
S12C13H13B109.4°109.4°
O14S12O15113.9°121.1°
H13C13H13A109.4°109.5°
H13C13H13B109.5°109.5°
H13AC13H13B109.5°109.5°
C19C18C21122.2°120.3°
C19C18F28119.9°119.9°
C18C19C20118.5°120.7°
C18C19H19120.8°119.7°
C21C18F28117.9°119.8°
C18C21C22118.9°119.6°
C18C21H21120.5°120.2°
C20C19H19120.8°119.6°
C19C20C23121.5°119.9°
C19C20H20119.2°120.0°
C23C20H20119.2°120.1°
C20C23C22118.4°119.5°
C20C23N24122.3°120.6°
C22C21H21120.6°120.2°
C21C22C23120.4°120.0°
C21C22C27118.6°121.0°
C23C22C27120.4°119.1°
C22C23N24119.2°119.9°
C22C27C26119.3°118.2°
C22C27O29116.3°120.9°
C23N24C25120.6°121.5°
C23N24C30118.7°119.2°
C25N24C30120.4°119.3°
N24C25C26122.5°121.6°
N24C25O31119.1°119.2°
N24C30C32105.2°109.5°
N24C30H30110.9°109.5°
N24C30H30A111.8°109.5°
C26C25O31118.2°119.2°
C25C26C27116.9°119.7°
C26C27O29124.4°120.9°
C27O29HO29109.5°114.0°
C32C30H30110.9°109.4°
C32C30H30A111.9°109.5°
C30C32C33120.1°120.0°
C30C32C37121.6°119.9°
H30C30H30A106.2°109.4°
C33C32C37118.4°120.1°
C32C33C36121.5°120.0°
C32C33H33119.3°120.0°
C32C37C35121.1°120.0°
C32C37H37119.5°120.0°
C36C33H33119.3°120.0°
C33C36C34119.6°120.0°
C33C36H36120.2°120.0°
C35C34C36120.7°120.0°
C35C34F38120.6°120.0°
C34C35C37118.8°120.0°
C34C35H35120.6°120.0°
C36C34F38118.7°120.0°
C34C36H36120.2°120.0°
C37C35H35120.6°120.0°
C35C37H37119.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C3H1180.0°179.8°
C1C2C4N11177.5°179.9°
C2C1C3C50.9°0.0°
C2C1C3H3179.1°180.0°
C1C2C4C62.3°0.0°
C1C2C4H4177.7°180.0°
C1C2N11S12149.5°44.9°
C1C2N11HN1190.5°135.0°
C3C1C2C41.0°0.2°
C3C1C2N11178.5°179.9°
C1C3C5H3180.0°180.0°
C1C3C5C61.6°0.2°
C1C3C5N10179.2°179.4°
H1C1C2C4179.0°179.6°
H1C1C2N111.5°0.3°
H1C1C3C5179.1°179.7°
H1C1C3H30.9°0.2°
C2C4C6H4180.0°180.0°
C2C4C6C51.6°0.2°
C2C4C6S7177.7°179.5°
C4C2N11S1233.0°135.0°
C4C2N11HN1187.0°45.1°
N11C2C4C6179.8°180.0°
N11C2C4H40.2°0.0°
C2N11S12HN11120.0°179.9°
C2N11S12C1395.5°65.1°
C2N11S12O14146.6°178.9°
C2N11S12O1524.8°51.0°
C3C5C6C40.4°0.4°
C3C5C6N10179.2°179.6°
C3C5C6S7179.7°179.4°
C3C5N10C9153.3°159.3°
C3C5N10HN1026.7°20.6°
H3C3C5C6178.4°179.7°
H3C3C5N100.8°0.7°
C4C6C5S7179.3°179.8°
C4C6C5N10179.6°179.2°
C4C6S7C8158.3°165.5°
C4C6S7O1639.8°81.2°
C4C6S7O1787.3°52.4°
H4C4C6C5178.4°179.7°
H4C4C6S72.3°0.5°
C5C6S7C822.4°14.2°
C5C6S7O16141.0°99.0°
C5C6S7O1792.0°127.4°
C6C5N10C925.9°21.1°
C6C5N10HN10154.1°158.9°
N10C5C6S71.1°1.0°
C5N10C9C823.4°21.0°
C5N10C9HN10180.0°180.0°
C5N10C9C26148.5°158.9°
C6S7C8O16119.5°113.2°
C6S7C8O17110.9°113.2°
C6S7O16O17120.8°123.8°
C6S7C8C925.2°14.8°
C6S7C8H8154.8°165.4°
C8S7O16O17126.1°123.8°
S7C8C9H8180.0°179.9°
S7C8C9N106.3°0.3°
S7C8C9C26178.5°179.6°
O16S7C8C9144.7°98.4°
O16S7C8H835.3°81.4°
O17S7C8C985.7°127.9°
O17S7C8H894.4°52.2°
C8C9N10C26171.9°179.9°
C8C9N10HN10156.7°159.0°
C8C9C26C25158.4°119.7°
C8C9C26C2723.1°60.3°
N10C9C26C2513.8°60.4°
N10C9C26C27164.6°119.6°
N10C9C8H8173.7°179.6°
C26C9N10HN1031.5°21.0°
C9C26C27C22174.2°179.9°
C9C26C25N24178.4°180.0°
C9C26C25C27178.5°180.0°
C9C26C25O314.1°0.0°
C9C26C27O294.0°0.0°
C26C9C8H81.5°0.5°
N11S12C13O14112.7°111.6°
N11S12C13O15115.9°111.7°
N11S12O14O15117.4°116.8°
N11S12C13H13135.1°59.9°
N11S12C13H13A105.0°179.9°
N11S12C13H13B15.1°60.0°
HN11N11S12C1324.5°115.0°
HN11N11S12O1493.4°0.9°
HN11N11S12O15144.9°128.9°
C13S12O14O15131.3°131.5°
S12C13H13H13A120.0°120.0°
S12C13H13H13B120.0°119.9°
S12C13H13AH13B120.0°120.0°
O14S12C13H1322.4°51.6°
O14S12C13H13A142.3°68.4°
O14S12C13H13B97.6°171.6°
O15S12C13H13109.0°171.6°
O15S12C13H13A10.9°68.4°
O15S12C13H13B131.0°51.6°
H13C13H13AH13B120.0°120.1°
C19C18C21F28179.3°179.8°
C18C19C20H19180.0°180.0°
C18C19C20C232.0°0.0°
C18C19C20H20178.0°180.0°
C19C18C21C222.5°0.0°
C19C18C21H21177.5°180.0°
C21C18C19C200.7°0.0°
C21C18C19H19179.2°180.0°
C18C21C22H21180.0°179.9°
C18C21C22C234.4°0.0°
C18C21C22C27175.1°179.9°
F28C18C19C20180.0°179.8°
F28C18C19H190.0°0.2°
F28C18C21C22176.8°179.8°
F28C18C21H213.2°0.1°
C19C20C23H20180.0°180.0°
C19C20C23C220.1°0.1°
C19C20C23N24176.6°180.0°
H19C19C20C23177.9°180.0°
H19C19C20H202.0°0.0°
C20C23C22C213.1°0.1°
C20C23C22N24176.6°179.9°
C20C23C22C27173.7°180.0°
C20C23N24C25166.0°179.9°
C20C23N24C307.6°0.1°
H20C20C23C22179.9°180.0°
H20C20C23N243.4°0.0°
C21C22C23C27170.6°179.9°
C21C22C23N24173.5°180.0°
C21C22C27C26164.7°179.9°
C21C22C27O2913.7°0.0°
H21C21C22C23175.6°179.9°
H21C21C22C274.8°0.0°
C22C23N24C2510.5°0.0°
C22C23N24C30175.9°180.0°
C23C22C27C266.1°0.1°
C23C22C27O29175.6°180.0°
C27C22C23N242.9°0.1°
C22C27C26C257.3°0.1°
C22C27C26O29178.3°179.9°
C22C27O29HO29161.2°0.0°
C23N24C25C30173.5°180.0°
C23N24C25C269.2°0.0°
C23N24C25O31176.5°180.0°
C23N24C30C3286.2°90.0°
C23N24C30H30153.8°150.0°
C23N24C30H30A35.4°30.1°
N24C25C26O31174.3°180.0°
N24C25C26C270.1°0.0°
C25N24C30C32100.1°90.0°
C25N24C30H3019.9°30.0°
C25N24C30H30A138.2°149.9°
C30N24C25C26177.3°180.0°
C30N24C25O313.0°0.0°
N24C30C32H30120.0°120.0°
N24C30C32H30A121.6°120.1°
N24C30H30H30A121.7°120.0°
N24C30C32C3366.1°89.9°
N24C30C32C37114.8°90.3°
C25C26C27O29174.4°180.0°
O31C25C26C27174.4°180.0°
C26C27O29HO2917.1°179.9°
C32C30H30H30A121.8°120.0°
C30C32C33C37179.1°179.8°
C30C32C33C36179.9°180.0°
C30C32C33H330.1°0.0°
C30C32C37C35179.7°180.0°
C30C32C37H370.2°0.0°
H30C30C32C3353.9°30.0°
H30C30C32C37125.2°149.7°
H30AC30C32C33172.3°150.0°
H30AC30C32C376.8°29.8°
C32C33C36H33180.0°180.0°
C32C33C36C340.2°0.0°
C33C32C37C351.1°0.2°
C32C33C36H36179.8°180.0°
C33C32C37H37178.9°179.8°
C37C32C33C361.0°0.3°
C37C32C33H33179.0°179.7°
C32C37C35C340.5°0.0°
C32C37C35H37180.0°180.0°
C32C37C35H35179.5°179.8°
C33C36C34C350.5°0.2°
C33C36C34H36180.0°180.0°
C33C36C34F38180.0°180.0°
H33C33C36C34179.8°180.0°
H33C33C36H360.2°0.0°
C35C34C36F38179.5°179.8°
C34C35C37H35180.0°179.8°
C35C34C36H36179.5°179.8°
C34C35C37H37179.5°180.0°
C36C34C35C370.3°0.2°
C36C34C35H35179.7°180.0°
F38C34C35C37179.9°180.0°
F38C34C35H350.1°0.3°
F38C34C36H360.1°0.0°
H35C35C37H370.5°0.2°

246704

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