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8A0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C42C41doub1.38Å1.39ÅAromatic
C42C43sing1.38Å1.40ÅAromatic
C41C40sing1.38Å1.39ÅAromatic
N51N11sing1.40Å1.40ÅAromatic
N51C10sing1.35Å1.34ÅAromatic
C43C32doub1.39Å1.38ÅAromatic
N11C6doub1.30Å1.33ÅAromatic
C40C39doub1.38Å1.40ÅAromatic
C12C10sing1.51Å1.50Å
C10C5doub1.34Å1.49ÅAromatic
C32C39sing1.39Å1.40ÅAromatic
C32C19sing1.48Å1.49Å
C39C50sing1.51Å1.50Å
C6C5sing1.41Å1.44ÅAromatic
C6O1sing1.36Å1.35Å
C5C4sing1.51Å1.49Å
C20C19doub1.39Å1.39ÅAromatic
C20C15sing1.38Å1.41ÅAromatic
C19C18sing1.39Å1.39ÅAromatic
O1C2sing1.35Å1.45Å
C4C15sing1.51Å1.53Å
C4C13sing1.53Å1.54Å
C4C3sing1.51Å1.53Å
C15C16doub1.38Å1.43ÅAromatic
C18C17doub1.38Å1.38ÅAromatic
C14C13sing1.53Å1.55Å
C2C3doub1.35Å1.40Å
C2N7sing1.37Å1.33Å
C34C13sing1.53Å1.54Å
C3C8sing1.43Å1.27Å
C16C17sing1.38Å1.41ÅAromatic
C17C33sing1.51Å1.54Å
F46C33sing1.40Å1.32Å
C8N9trip1.14Å1.17Å
C33F47sing1.40Å1.32Å
C33F48sing1.40Å1.33Å
N7H1sing0.97Å1.00Å
N7H2sing0.97Å1.00Å
C12H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C12H5sing1.09Å1.10Å
C16H6sing1.08Å1.08Å
C18H7sing1.08Å1.08Å
C43H8sing1.08Å1.08Å
C42H9sing1.08Å1.08Å
C41H10sing1.08Å1.08Å
C40H11sing1.08Å1.08Å
C50H12sing1.09Å1.10Å
C50H13sing1.09Å1.10Å
C50H14sing1.09Å1.10Å
C20H15sing1.08Å1.08Å
C13H16sing1.09Å1.10Å
C34H17sing1.09Å1.10Å
C34H18sing1.09Å1.10Å
C34H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
C14H22sing1.09Å1.10Å
N51H23sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C41C42C43120.7°120.1°
C42C41C40118.9°120.3°
C41C42H9119.7°120.0°
C42C41H10120.5°119.9°
C42C43C32120.6°119.8°
C42C43H8119.7°120.2°
C43C42H9119.7°119.9°
C41C40C39120.7°120.1°
C40C41H10120.6°119.9°
C41C40H11119.6°120.0°
N11N51C10115.0°108.1°
N51N11C6102.9°108.2°
N11N51H23122.5°125.9°
N51C10C12123.9°126.2°
N51C10C5105.7°107.6°
C10N51H23122.5°125.9°
C43C32C39119.0°119.8°
C43C32C19118.8°120.1°
C32C43H8119.7°120.0°
N11C6C5115.2°108.0°
N11C6O1126.3°130.0°
C40C39C32120.1°119.9°
C40C39C50119.9°120.1°
C39C40H11119.6°119.9°
C12C10C5130.4°126.2°
C10C12H3109.5°109.5°
C10C12H4109.5°109.5°
C10C12H5109.5°109.5°
C10C5C6101.2°108.1°
C10C5C4135.7°129.6°
C39C32C19122.1°120.1°
C32C39C50120.1°120.0°
C32C19C20121.8°120.1°
C32C19C18117.9°120.1°
C39C50H12109.5°109.5°
C39C50H13109.5°109.4°
C39C50H14109.5°109.5°
C5C6O1118.5°122.0°
C6C5C4123.1°122.3°
C6O1C2123.1°117.5°
C5C4C15110.6°109.8°
C5C4C13107.8°109.7°
C5C4C3113.4°108.1°
C19C20C15120.8°119.9°
C20C19C18120.2°119.8°
C19C20H15119.6°120.1°
C20C15C4120.7°119.9°
C20C15C16117.7°120.1°
C15C20H15119.6°120.0°
C19C18C17121.0°119.9°
C19C18H7119.5°120.0°
O1C2C3120.3°124.5°
O1C2N7119.7°117.7°
C15C4C13113.8°109.7°
C15C4C3105.5°109.7°
C4C15C16121.6°120.0°
C13C4C3105.7°109.7°
C4C13C14114.3°109.5°
C4C13C34114.3°109.5°
C4C13H16106.0°109.5°
C4C3C2120.6°123.1°
C4C3C8119.3°118.5°
C15C16C17120.3°120.3°
C15C16H6119.9°119.8°
C18C17C16119.9°120.1°
C18C17C33119.9°120.0°
C17C18H7119.5°120.0°
C14C13C34109.6°109.5°
C14C13H16105.9°109.5°
C13C14H20109.5°109.4°
C13C14H21109.5°109.5°
C13C14H22109.5°109.5°
C3C2N7120.1°117.8°
C2C3C8120.1°118.5°
C2N7H1109.5°120.0°
C2N7H2109.5°120.0°
C34C13H16106.0°109.4°
C13C34H17109.5°109.5°
C13C34H18109.5°109.5°
C13C34H19109.5°109.5°
C3C8N9179.8°179.9°
C16C17C33120.2°119.9°
C17C16H6119.8°119.9°
C17C33F46110.1°109.5°
C17C33F47109.2°109.5°
C17C33F48115.1°109.5°
F46C33F47105.9°109.4°
F46C33F48109.1°109.5°
F47C33F48107.0°109.5°
H1N7H2109.5°120.0°
H3C12H4109.4°109.5°
H3C12H5109.5°109.4°
H4C12H5109.4°109.4°
H12C50H13109.5°109.6°
H12C50H14109.4°109.5°
H13C50H14109.4°109.5°
H17C34H18109.4°109.4°
H17C34H19109.4°109.5°
H18C34H19109.5°109.5°
H20C14H21109.5°109.5°
H20C14H22109.5°109.5°
H21C14H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C41C42C43H9180.0°180.0°
C42C41C40H10180.0°180.0°
C41C42C43C320.8°0.0°
C42C41C40C390.4°0.0°
C41C42C43H8179.2°180.0°
C42C41C40H11179.7°180.0°
C43C42C41C400.0°0.0°
C42C43C32H8180.0°180.0°
C42C43C32C391.1°0.1°
C42C43C32C19179.8°179.7°
C43C42C41H10180.0°180.0°
C41C40C39H11180.0°180.0°
C41C40C39C320.0°0.0°
C41C40C39C50180.0°179.7°
C40C41C42H9180.0°180.0°
N11N51C10H23180.0°180.0°
N11N51C10C12178.4°179.8°
N11N51C10C50.1°0.2°
N51N11C6C51.3°0.1°
N51N11C6O1179.5°180.0°
C10N51N11C60.9°0.0°
N51C10C12C5178.2°180.0°
N51C10C5C60.6°0.2°
N51C10C5C4179.6°179.9°
N51C10C12H389.2°90.0°
N51C10C12H4150.8°30.0°
N51C10C12H530.8°150.0°
C43C32C39C400.7°0.1°
C43C32C39C19178.7°179.6°
C43C32C39C50179.3°179.7°
C43C32C19C2064.5°49.6°
C43C32C19C18116.5°130.3°
C32C43C42H9179.2°180.0°
N11C6C5C101.2°0.2°
N11C6C5O1179.2°179.9°
N11C6C5C4178.9°179.9°
N11C6O1C2170.5°166.8°
C6N11N51H23179.1°179.9°
C40C39C32C50180.0°179.8°
C40C39C32C19179.4°179.7°
C39C40C41H10179.7°180.0°
C40C39C50H1290.0°90.3°
C40C39C50H13150.0°29.8°
C40C39C50H1430.0°149.7°
C12C10C5C6179.0°179.8°
C12C10C5C41.1°0.1°
C10C12H3H4120.0°120.1°
C10C12H3H5120.0°120.0°
C10C12H4H5120.0°120.0°
C12C10N51H231.6°0.2°
C10C5C6C4179.9°179.7°
C10C5C6O1179.5°179.9°
C10C5C4C1554.1°48.7°
C10C5C4C1370.9°71.9°
C10C5C4C3172.5°168.4°
C5C10C12H389.0°90.0°
C5C10C12H431.0°150.0°
C5C10C12H5151.0°30.0°
C5C10N51H23179.8°179.8°
C39C32C19C20116.8°130.0°
C39C32C19C1862.2°50.1°
C39C32C43H8178.9°180.0°
C32C39C40H11180.0°180.0°
C32C39C50H1290.0°89.9°
C32C39C50H1330.0°150.0°
C32C39C50H14150.0°30.1°
C19C32C39C500.6°0.1°
C32C19C20C18179.0°179.9°
C32C19C20C15179.4°179.7°
C32C19C18C17179.4°180.0°
C32C19C18H70.6°0.1°
C19C32C43H80.2°0.3°
C32C19C20H150.6°0.1°
C50C39C40H110.0°0.2°
C39C50H12H13120.0°119.9°
C39C50H12H14120.0°120.0°
C39C50H13H14120.0°119.9°
C5C6O1C28.7°13.2°
C6C5C4C15126.0°131.6°
C6C5C4C13108.9°107.7°
C6C5C4C37.7°11.9°
O1C6C5C40.3°0.1°
C6O1C2C38.2°13.3°
C6O1C2N7171.9°166.6°
C5C4C15C2028.0°65.4°
C5C4C15C13121.5°120.7°
C5C4C15C3123.0°118.7°
C5C4C13C3121.6°118.7°
C5C4C15C16154.1°115.1°
C5C4C13C1475.4°55.0°
C5C4C3C28.2°12.2°
C5C4C13C3452.1°175.0°
C5C4C3C8174.2°167.8°
C5C4C13H16168.4°65.0°
C19C20C15H15180.0°179.8°
C19C20C15C4179.6°180.0°
C19C20C15C161.6°0.5°
C20C19C18C170.3°0.1°
C20C19C18H7179.6°180.0°
C15C20C19C181.6°0.2°
C20C15C4C16178.0°179.5°
C20C15C4C13149.5°174.0°
C20C15C4C395.1°53.3°
C20C15C16C170.3°0.5°
C20C15C16H6179.7°179.9°
C19C18C17H7180.0°179.9°
C19C18C17C161.0°0.0°
C19C18C17C33179.4°180.0°
C18C19C20H15178.4°180.0°
O1C2C3C41.0°0.3°
O1C2C3N7179.9°179.9°
O1C2C3C8178.6°179.7°
O1C2N7H10.0°180.0°
O1C2N7H2120.0°0.1°
C15C4C13C3115.3°120.6°
C15C4C13C1447.7°175.7°
C15C4C3C2129.4°131.9°
C15C4C13C34175.2°64.3°
C15C4C3C853.0°48.1°
C4C15C16C17178.3°180.0°
C4C15C16H61.7°0.3°
C4C15C20H150.4°0.2°
C15C4C13H1668.5°55.7°
C13C4C15C1632.5°5.6°
C4C13C14C34129.8°120.0°
C4C13C14H16116.3°120.0°
C13C4C3C2109.7°107.4°
C4C13C34H16116.3°120.0°
C13C4C3C867.9°72.5°
C4C13C34H17180.0°67.5°
C4C13C34H1860.0°172.6°
C4C13C34H1960.0°52.6°
C4C13C14H20180.0°60.0°
C4C13C14H2160.0°180.0°
C4C13C14H2260.0°60.0°
C3C4C15C1682.9°126.2°
C3C4C13C14163.1°63.6°
C4C3C2C8177.6°179.9°
C4C3C2N7178.9°179.8°
C3C4C13C3469.5°56.4°
C4C3C8N940.8°79.3°
C3C4C13H1646.8°176.3°
C15C16C17C181.0°0.3°
C15C16C17H6180.0°179.6°
C15C16C17C33179.4°179.7°
C16C15C20H15178.5°179.7°
C18C17C16C33178.4°180.0°
C18C17C33F4665.1°30.0°
C18C17C33F4750.8°90.0°
C18C17C33F48171.1°150.1°
C18C17C16H6179.0°179.9°
C14C13C34H16113.9°120.0°
C14C13C34H1750.2°52.6°
C14C13C34H18170.2°67.4°
C14C13C34H1969.8°172.6°
C13C14H20H21120.0°120.0°
C13C14H20H22120.0°120.0°
C13C14H21H22120.0°120.0°
C2C3C8N9141.6°100.8°
C3C2N7H1179.9°0.1°
C3C2N7H259.9°180.0°
N7C2C3C81.3°0.2°
C2N7H1H2120.0°179.9°
C13C34H17H18120.0°120.0°
C13C34H17H19120.0°120.1°
C13C34H18H19120.0°120.1°
C34C13C14H2050.2°180.0°
C34C13C14H2169.8°60.0°
C34C13C14H22170.2°60.0°
C16C17C33F46113.3°150.0°
C16C17C33F47130.8°90.0°
C16C17C33F4810.4°30.0°
C16C17C18H7179.0°179.9°
C17C33F46F47117.9°120.0°
C17C33F46F48127.2°120.0°
C17C33F47F48125.2°120.0°
C33C17C16H60.6°0.1°
C33C17C18H70.6°0.1°
F46C33F47F48116.3°120.0°
H3C12H4H5120.0°119.9°
H8C43C42H90.7°0.0°
H9C42C41H100.0°0.0°
H10C41C40H110.3°0.0°
H12C50H13H14120.0°120.1°
H16C13C34H1763.7°172.6°
H16C13C34H1856.3°52.6°
H16C13C34H19176.3°67.4°
H16C13C14H2063.7°60.0°
H16C13C14H21176.3°59.9°
H16C13C14H2256.3°NaN°
H17C34H18H19120.0°120.0°
H20C14H21H22120.0°120.0°

226262

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