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0X1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.38ÅAromatic
C1H1sing1.08Å1.08Å
C2C9sing1.39Å1.38ÅAromatic
C2O28sing1.36Å1.39Å
C3C9doub1.38Å1.38ÅAromatic
C3H3sing1.08Å1.08Å
C4C7doub1.38Å1.38ÅAromatic
C4H4sing1.08Å1.08Å
C5C13sing1.51Å1.51Å
C6C8doub1.40Å1.38ÅAromatic
C6C1sing1.40Å1.38ÅAromatic
C7C5sing1.39Å1.39ÅAromatic
C7C17sing1.51Å1.50Å
C8C3sing1.39Å1.38ÅAromatic
C9H9sing1.08Å1.08Å
C10O24sing1.36Å1.38Å
C10C5doub1.39Å1.38ÅAromatic
C11C10sing1.39Å1.38ÅAromatic
C12N20sing1.38Å1.36Å
C13N19sing1.47Å1.46Å
C13H113sing1.09Å1.10Å
C13H213sing1.09Å1.10Å
C14C6sing1.47Å1.45Å
C14H14sing1.08Å1.08Å
C15C12sing1.47Å1.48Å
C15C14doub1.36Å1.34Å
C16C11sing1.51Å1.49Å
C16H116sing1.09Å1.10Å
C16H216sing1.09Å1.10Å
C16H316sing1.09Å1.10Å
C17H117sing1.09Å1.10Å
C17H217sing1.09Å1.10Å
N18C11doub1.32Å1.34ÅAromatic
N18C4sing1.32Å1.34ÅAromatic
N19C15sing1.39Å1.37Å
N19HN19sing0.97Å1.00Å
N20C8sing1.39Å1.42Å
O22P27doub1.48Å1.49Å
O24HO24sing0.97Å0.95Å
C25N20sing1.35Å1.37Å
C25O36doub1.22Å1.23Å
O26C17sing1.43Å1.42Å
O26P27sing1.61Å1.63Å
P27O21sing1.61Å1.51Å
P27O23sing1.61Å1.51Å
O28C29sing1.36Å1.39Å
C29C34doub1.39Å1.38ÅAromatic
C30C31doub1.38Å1.38ÅAromatic
C30C29sing1.39Å1.38ÅAromatic
C30H30sing1.08Å1.08Å
C31C32sing1.38Å1.38ÅAromatic
C31H31sing1.08Å1.08Å
C32C33doub1.38Å1.38ÅAromatic
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C34C33sing1.38Å1.38ÅAromatic
C34H34sing1.08Å1.08Å
N35C25sing1.35Å1.38Å
N35HN35sing0.97Å1.00Å
N37N35sing1.40Å1.36Å
N37C12doub1.31Å1.29Å
O21H21sing0.97Å0.95Å
O23H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H1120.3°120.1°
C1C2C9120.1°120.2°
C1C2O28121.3°119.9°
C2C1C6119.3°119.7°
H1C1C6120.4°120.2°
C9C2O28118.7°119.9°
C2C9C3120.6°120.5°
C2C9H9119.7°119.7°
C2O28C29114.7°118.0°
C9C3H3120.3°119.9°
C9C3C8119.4°120.1°
C3C9H9119.7°119.8°
H3C3C8120.3°120.0°
C7C4H4117.3°119.5°
C4C7C5118.0°119.2°
C4C7C17119.6°120.4°
C7C4N18125.5°120.9°
H4C4N18117.2°119.6°
C13C5C7120.8°120.8°
C13C5C10122.1°120.8°
C5C13N19110.6°109.5°
C5C13H113109.2°109.4°
C5C13H213109.2°109.5°
C8C6C1120.8°119.9°
C6C8C3119.8°119.6°
C8C6C14119.8°119.8°
C6C8N20117.4°120.3°
C1C6C14119.4°120.3°
C5C7C17122.3°120.4°
C7C5C10117.1°118.4°
C7C17H117110.6°109.5°
C7C17H217110.6°109.4°
C7C17O26105.1°109.5°
C3C8N20122.8°120.0°
O24C10C5120.1°120.5°
O24C10C11119.2°120.4°
C10O24HO24109.5°114.0°
C5C10C11120.6°119.0°
C10C11C16120.1°119.7°
C10C11N18123.2°120.7°
N20C12C15119.3°120.3°
C12N20C8123.3°120.5°
C12N20C25107.2°108.3°
N20C12N37112.9°108.4°
N19C13H113109.2°109.4°
N19C13H213109.2°109.5°
C13N19C15122.7°120.0°
C13N19HN19106.1°120.0°
H113C13H213109.5°109.5°
C6C14H14118.6°120.3°
C6C14C15122.8°119.3°
H14C14C15118.6°120.3°
C12C15C14117.3°119.7°
C12C15N19115.8°120.1°
C15C12N37127.8°131.3°
C14C15N19126.9°120.2°
C11C16H116109.5°109.5°
C11C16H216109.4°109.5°
C11C16H316109.5°109.4°
C16C11N18116.7°119.7°
H116C16H216109.5°109.5°
H116C16H316109.5°109.4°
H216C16H316109.5°109.5°
H117C17H217109.5°109.5°
H117C17O26110.5°109.5°
H217C17O26110.6°109.5°
C11N18C4115.5°121.8°
C15N19HN19106.0°120.0°
C8N20C25129.5°131.2°
O22P27O26104.9°109.5°
O22P27O21113.1°109.4°
O22P27O23113.6°109.5°
N20C25O36130.4°126.2°
N20C25N35103.4°107.8°
O36C25N35126.1°126.1°
C17O26P27122.3°123.0°
O26P27O21105.8°109.5°
O26P27O23102.2°109.5°
O21P27O23115.6°109.5°
P27O21H21109.5°113.9°
P27O23H22109.5°114.0°
O28C29C34118.3°120.1°
O28C29C30121.5°120.1°
C34C29C30120.1°119.9°
C29C34C33120.3°120.0°
C29C34H34119.9°120.0°
C31C30C29119.4°120.0°
C31C30H30120.3°120.1°
C30C31C32120.5°120.0°
C30C31H31119.7°120.0°
C29C30H30120.3°120.0°
C32C31H31119.8°120.0°
C31C32C33120.0°120.2°
C31C32H32120.0°119.9°
C33C32H32120.0°120.0°
C32C33H33120.2°120.0°
C32C33C34119.7°120.0°
H33C33C34120.2°120.0°
C33C34H34119.9°120.0°
C25N35HN35124.0°126.2°
C25N35N37112.0°107.5°
HN35N35N37124.0°126.2°
N35N37C12104.5°108.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H1C6180.0°179.7°
C1C2C9O28178.4°179.9°
C1C2C9C31.2°0.6°
C2C1C6C80.0°0.0°
C1C2C9H9178.8°179.9°
C2C1C6C14178.4°180.0°
C1C2O28C2972.2°67.5°
H1C1C2C9178.9°180.0°
H1C1C2O280.5°0.0°
H1C1C6C8180.0°179.8°
H1C1C6C141.6°0.3°
C2C9C3H9180.0°179.4°
C2C9C3H3179.9°180.0°
C9C2C1C61.1°0.3°
C2C9C3C80.1°0.7°
C9C2O28C29109.5°112.6°
O28C2C9C3179.6°179.4°
O28C2C1C6179.5°179.7°
O28C2C9H90.4°0.0°
C2O28C29C34163.1°6.1°
C2O28C29C3017.6°173.6°
C9C3H3C8180.0°179.3°
C9C3C8C61.0°0.4°
C9C3C8N20179.7°179.7°
H3C3C8C6179.0°179.7°
H3C3C9H90.1°0.6°
H3C3C8N200.3°0.4°
C7C4H4N18180.0°179.6°
C4C7C5C13179.5°180.0°
C4C7C5C17178.4°179.9°
C4C7C5C101.3°0.1°
C4C7C17H1179.3°120.0°
C4C7C17H217130.7°120.0°
C7C4N18C112.2°0.1°
C4C7C17O26110.0°0.0°
H4C4C7C5179.3°180.0°
H4C4C7C170.9°0.1°
H4C4N18C11177.8°179.7°
C13C5C7C10179.2°180.0°
C13C5C7C172.1°0.0°
C13C5C10O240.9°0.1°
C13C5C10C11179.2°179.5°
C5C13N19H113120.2°119.9°
C5C13N19H213120.2°120.1°
C5C13H113H213119.5°120.0°
C5C13N19C15154.3°180.0°
C5C13N19HN1932.5°0.1°
C8C6C1C14178.4°180.0°
C6C8C3N20179.3°179.9°
C6C8N20C121.4°0.1°
C8C6C14H14179.9°180.0°
C8C6C14C150.1°0.0°
C6C8N20C25178.7°179.9°
C1C6C8C31.1°0.1°
C1C6C14H141.5°0.0°
C1C6C14C15178.5°180.0°
C1C6C8N20179.6°179.9°
C7C5C10O24179.9°180.0°
C7C5C10C111.6°0.4°
C7C5C13N19152.1°90.0°
C7C5C13H11387.7°150.1°
C7C5C13H21331.9°30.1°
C5C7C17H117172.3°60.0°
C5C7C17H21750.9°60.0°
C5C7C4N180.6°0.3°
C5C7C17O2668.4°180.0°
C17C7C5C10177.1°180.0°
C7C17H117H217122.1°120.0°
C7C17H117O26115.9°120.0°
C7C17H217O26115.9°120.0°
C17C7C4N18179.1°179.7°
C7C17O26P27158.2°180.0°
C8C3C9H9179.9°179.9°
C3C8N20C12179.3°180.0°
C3C8C6C14179.5°180.0°
C3C8N20C252.0°0.2°
O24C10C5C11178.3°179.6°
O24C10C11C160.1°0.1°
O24C10C11N18178.4°179.7°
C10C5C13N1928.7°89.9°
C10C5C13H11391.4°30.0°
C10C5C13H213148.9°150.0°
C5C10C11C16178.2°179.5°
C5C10C11N180.1°0.7°
C5C10O24HO24180.0°90.0°
C10C11C16N18178.4°179.8°
C10C11C16H116178.4°90.0°
C10C11C16H21661.6°150.0°
C10C11C16H31658.4°30.0°
C10C11N18C41.8°0.5°
C11C10O24HO241.7°89.6°
N20C12C15N37179.0°179.9°
N20C12C15C140.7°0.0°
N20C12C15N19179.0°180.0°
C12N20C8C25177.3°179.8°
C12N20C25O36178.5°179.9°
C12N20C25N351.3°0.0°
N20C12N37N350.0°0.0°
N19C13H113H213119.5°120.1°
C13N19C15C12173.8°180.0°
C13N19C15C146.5°0.0°
C13N19C15HN19121.8°180.0°
H113C13N19C1585.5°60.1°
H113C13N19HN19152.7°120.0°
H213C13N19C1534.2°60.0°
H213C13N19HN1987.7°120.0°
C6C14H14C15180.0°180.0°
C6C14C15C120.8°0.0°
C6C14C15N19178.8°180.0°
C14C6C8N201.2°0.1°
H14C14C15C12179.1°180.0°
H14C14C15N191.2°0.0°
C12C15C14N19179.7°180.0°
C12C15N19HN1964.4°0.0°
C15C12N20C80.5°0.1°
C15C12N20C25178.3°180.0°
C15C12N37N35179.1°180.0°
C14C15N19HN19115.3°180.0°
C14C15C12N37179.7°179.9°
C11C16H116H216120.0°120.0°
C11C16H116H316120.0°119.9°
C11C16H216H316120.0°120.0°
C16C11N18C4179.9°179.8°
H116C16H216H316120.0°120.0°
H116C16C11N180.0°90.3°
H216C16C11N18120.0°29.8°
H316C16C11N18120.0°149.8°
H117C17H217O26122.0°120.0°
H117C17O26P2738.8°60.0°
H217C17O26P2782.5°60.0°
N19C15C12N370.0°0.1°
C8N20C25O360.8°0.1°
C8N20C25N35178.9°179.9°
C8N20C12N37178.7°179.9°
O22P27O26C17117.8°55.0°
O22P27O26O21119.8°119.9°
O22P27O26O23118.8°120.0°
O22P27O21O23133.4°119.9°
O22P27O21H210.0°180.0°
O22P27O23H220.0°59.9°
N20C25O36N35179.7°180.0°
N20C25N35HN35178.6°180.0°
N20C25N35N371.4°0.1°
C25N20C12N370.8°0.0°
O36C25N35HN351.6°0.0°
O36C25N35N37178.4°179.9°
C17O26P27O212.0°65.0°
C17O26P27O23123.4°175.0°
O26P27O21O23112.3°120.1°
O26P27O21H21114.2°60.0°
O26P27O23H22112.4°179.9°
O21P27O23H22133.2°60.0°
O23P27O21H21133.5°60.0°
O28C29C34C30179.3°179.7°
O28C29C30C31179.0°180.0°
O28C29C30H301.0°0.1°
O28C29C34C33179.2°179.8°
O28C29C34H340.8°0.0°
C34C29C30C311.7°0.3°
C34C29C30H30178.3°179.8°
C29C34C33C320.1°0.5°
C29C34C33H33179.9°179.7°
C29C34C33H34180.0°179.7°
C31C30C29H30180.0°179.9°
C30C31C32H31180.0°180.0°
C30C31C32C330.8°0.0°
C30C31C32H32179.2°180.0°
C29C30C31C320.6°0.0°
C29C30C31H31179.4°179.9°
C30C29C34C331.5°0.6°
C30C29C34H34178.5°179.7°
H30C30C31C32179.4°180.0°
H30C30C31H310.6°0.0°
C31C32C33H32180.0°180.0°
C31C32C33H33179.0°180.0°
C31C32C33C341.0°0.3°
H31C31C32C33179.2°180.0°
H31C31C32H320.8°0.1°
C32C33H33C34180.0°179.8°
C32C33C34H34179.9°179.7°
H32C32C33H331.0°0.1°
H32C32C33C34179.0°179.7°
H33C33C34H340.1°0.0°
C25N35HN35N37180.0°179.9°
C25N35N37C120.9°0.1°
HN35N35N37C12179.1°180.0°

222624

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