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CP4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C0C1doub1.41Å1.40ÅAromatic
C0C2sing1.42Å1.51ÅAromatic
C0C3sing1.40Å1.42ÅAromatic
C1N4sing1.37Å1.34ÅAromatic
C1C5sing1.39Å1.43ÅAromatic
C2C6doub1.36Å1.34ÅAromatic
C2H2sing1.08Å1.10Å
C3C7doub1.37Å1.43ÅAromatic
C3H3sing1.08Å1.10Å
N4C6sing1.38Å1.31ÅAromatic
N4HN4sing0.97Å1.02Å
C5C8doub1.38Å1.44ÅAromatic
C5H5sing1.08Å1.10Å
C6C9sing1.47Å1.49Å
C7C8sing1.39Å1.43ÅAromatic
C7CL10sing1.74Å1.74Å
C8H8sing1.08Å1.10Å
C9N11sing1.35Å1.37Å
C9O12doub1.22Å1.24Å
N11C13sing1.46Å1.47Å
N11H11sing0.97Å1.02Å
C13C14sing1.53Å1.54Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.12Å
C14O15sing1.43Å1.45Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
O15C16sing1.43Å1.45Å
C16C17sing1.53Å1.55Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.12Å
C17O18sing1.43Å1.44Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
O18C19sing1.43Å1.44Å
C19C20sing1.53Å1.56Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.11Å
C20N21sing1.46Å1.48Å
C20H201sing1.09Å1.12Å
C20H202sing1.09Å1.12Å
N21C22sing1.35Å1.37Å
N21H21sing0.97Å1.02Å
C22C23sing1.47Å1.50Å
C22O24doub1.22Å1.23Å
C23N25sing1.38Å1.32ÅAromatic
C23C26doub1.36Å1.36ÅAromatic
N25C27sing1.38Å1.35ÅAromatic
N25H25sing0.97Å1.02Å
C26C28sing1.42Å1.51ÅAromatic
C26H26sing1.08Å1.10Å
C27C28doub1.41Å1.41ÅAromatic
C27C29sing1.39Å1.43ÅAromatic
C28C30sing1.40Å1.42ÅAromatic
C29C31doub1.38Å1.43ÅAromatic
C29H29sing1.08Å1.10Å
C30C32doub1.37Å1.43ÅAromatic
C30H30sing1.08Å1.10Å
C31C32sing1.39Å1.44ÅAromatic
C31H31sing1.08Å1.10Å
C32CL33sing1.74Å1.74Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C0C2102.6°106.9°
C1C0C3122.3°119.7°
C0C1N4108.8°107.4°
C0C1C5121.5°119.4°
C2C0C3135.1°133.3°
C0C2C6106.9°107.8°
C0C2H2131.0°126.1°
C0C3C7117.5°119.8°
C0C3H3120.9°120.1°
N4C1C5129.7°133.2°
C1N4C6112.2°108.8°
C1N4HN4124.9°125.7°
C1C5C8117.2°119.8°
C1C5H5121.0°120.1°
C6C2H2122.0°126.1°
C2C6N4109.4°109.1°
C2C6C9128.0°125.4°
C7C3H3121.7°120.1°
C3C7C8120.7°120.6°
C3C7CL10119.5°119.7°
C6N4HN4122.9°125.5°
N4C6C9122.6°125.5°
C8C5H5121.8°120.1°
C5C8C7120.8°120.7°
C5C8H8119.7°119.7°
C6C9N11121.1°120.0°
C6C9O12116.4°120.0°
C8C7CL10119.8°119.7°
C7C8H8119.4°119.7°
N11C9O12122.5°120.0°
C9N11C13121.9°120.0°
C9N11H11115.5°120.0°
C13N11H11122.6°120.0°
N11C13C14115.0°109.5°
N11C13H131110.2°109.5°
N11C13H132110.2°109.5°
C14C13H131110.2°109.4°
C14C13H132110.1°109.4°
C13C14O15105.8°109.5°
C13C14H141113.6°109.5°
C13C14H142113.6°109.5°
H131C13H132100.1°109.5°
O15C14H141113.6°109.5°
O15C14H142113.5°109.5°
C14O15C16115.6°106.8°
H141C14H14296.9°109.4°
O15C16C17106.2°109.5°
O15C16H161113.5°109.4°
O15C16H162113.5°109.5°
C17C16H161113.4°109.6°
C17C16H162113.4°109.4°
C16C17O18109.0°109.5°
C16C17H171112.4°109.4°
C16C17H172112.4°109.6°
H161C16H16297.0°109.4°
O18C17H171112.4°109.4°
O18C17H172112.4°109.5°
C17O18C19114.4°106.8°
H171C17H17298.0°109.5°
O18C19C20109.0°109.5°
O18C19H191112.4°109.5°
O18C19H192112.4°109.5°
C20C19H191112.3°109.5°
C20C19H192112.3°109.5°
C19C20N21113.7°109.5°
C19C20H201110.7°109.5°
C19C20H202110.7°109.4°
H191C19H19298.1°109.5°
N21C20H201110.6°109.5°
N21C20H202110.6°109.4°
C20N21C22121.7°120.1°
C20N21H21123.2°120.0°
H201C20H20299.6°109.5°
C22N21H21115.1°119.9°
N21C22C23121.8°120.0°
N21C22O24122.0°119.9°
C23C22O24116.2°120.0°
C22C23N25121.6°125.5°
C22C23C26128.8°125.4°
N25C23C26109.6°109.1°
C23N25C27111.9°108.8°
C23N25H25123.1°125.6°
C23C26C28106.8°107.7°
C23C26H26122.5°126.1°
C27N25H25125.0°125.6°
N25C27C28108.9°107.4°
N25C27C29129.5°133.2°
C28C26H26130.7°126.1°
C26C28C27102.9°107.0°
C26C28C30135.1°133.3°
C28C27C29121.6°119.4°
C27C28C30122.0°119.7°
C27C29C31117.2°119.9°
C27C29H29121.3°120.1°
C28C30C32117.4°119.8°
C28C30H30120.9°120.1°
C31C29H29121.6°120.1°
C29C31C32121.0°120.6°
C29C31H31119.4°119.7°
C32C30H30121.7°120.1°
C30C32C31120.8°120.6°
C30C32CL33119.4°119.7°
C32C31H31119.6°119.6°
C31C32CL33119.9°119.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C0C2C3179.8°179.7°
C0C1N4C5179.7°180.0°
C1C0C2C60.3°0.0°
C1C0C2H2179.7°179.9°
C1C0C3C70.1°0.5°
C1C0C3H3179.9°179.7°
C0C1N4C60.1°0.1°
C0C1N4HN4179.9°180.0°
C0C1C5C80.3°0.0°
C0C1C5H5179.7°179.9°
C2C0C1N40.3°0.1°
C2C0C1C5180.0°180.0°
C0C2C6H2180.0°179.9°
C2C0C3C7179.7°179.8°
C2C0C3H30.3°0.0°
C0C2C6N40.3°0.0°
C0C2C6C9179.5°180.0°
C3C0C1N4179.9°179.7°
C3C0C1C50.1°0.2°
C3C0C2C6179.8°179.7°
C3C0C2H20.1°0.4°
C0C3C7H3180.0°179.7°
C0C3C7C80.1°0.6°
C0C3C7CL10179.8°179.8°
C1N4C6C20.1°0.0°
C1N4C6HN4180.0°180.0°
N4C1C5C8180.0°179.9°
N4C1C5H50.1°0.0°
C1N4C6C9179.4°179.9°
C5C1N4C6179.9°180.0°
C5C1N4HN40.1°0.0°
C1C5C8H5179.9°179.9°
C1C5C8C70.3°0.1°
C1C5C8H8179.7°180.0°
C2C6N4C9179.3°180.0°
C2C6N4HN4179.9°180.0°
C2C6C9N110.6°180.0°
C2C6C9O12179.2°0.0°
H2C2C6N4179.8°179.9°
H2C2C6C90.5°0.1°
C3C7C8C50.1°0.4°
C3C7C8CL10179.7°179.6°
C3C7C8H8179.9°179.7°
H3C3C7C8179.9°179.7°
H3C3C7CL100.2°0.0°
N4C6C9N11178.6°0.0°
N4C6C9O120.0°180.0°
HN4N4C6C90.6°0.0°
C5C8C7H8180.0°179.9°
C5C8C7CL10179.6°180.0°
H5C5C8C7179.6°180.0°
H5C5C8H80.3°0.1°
C6C9N11O12178.5°180.0°
C6C9N11C13176.4°180.0°
C6C9N11H113.6°0.0°
CL10C7C8H80.4°0.1°
C9N11C13H11180.0°179.9°
C9N11C13C14112.7°180.0°
C9N11C13H131122.0°60.1°
C9N11C13H13212.5°60.0°
O12C9N11C132.1°0.0°
O12C9N11H11177.9°180.0°
N11C13C14H131125.3°120.1°
N11C13C14H132125.3°120.0°
N11C13H131H132116.1°120.0°
N11C13C14O1571.3°60.0°
N11C13C14H14153.9°180.0°
N11C13C14H142163.5°60.0°
H11N11C13C1467.3°0.0°
H11N11C13H13158.0°120.0°
H11N11C13H132167.5°120.0°
C14C13H131H132116.0°119.9°
C13C14O15H141125.3°120.1°
C13C14O15H142125.3°120.0°
C13C14H141H142119.6°120.0°
C13C14O15C1699.0°180.0°
H131C13C14O15163.4°60.1°
H131C13C14H14171.3°60.0°
H131C13C14H14238.2°179.9°
H132C13C14O1554.0°180.0°
H132C13C14H141179.2°60.0°
H132C13C14H14271.3°60.0°
O15C14H141H142119.5°119.9°
C14O15C16C17149.0°180.0°
C14O15C16H16123.8°59.9°
C14O15C16H16285.8°60.0°
H141C14O15C16135.7°59.9°
H142C14O15C1626.3°60.0°
O15C16C17H161125.3°120.0°
O15C16C17H162125.3°120.0°
O15C16H161H162119.5°120.0°
O15C16C17O1860.0°60.1°
O15C16C17H171174.7°180.0°
O15C16C17H17265.3°60.0°
C17C16H161H162119.3°120.0°
C16C17O18H171125.3°119.9°
C16C17O18H172125.3°120.1°
C16C17H171H172118.3°120.1°
C16C17O18C19150.0°180.0°
H161C16C17O1865.2°60.0°
H161C16C17H17160.0°59.9°
H161C16C17H172169.5°180.0°
H162C16C17O18174.7°180.0°
H162C16C17H17149.4°60.1°
H162C16C17H17260.0°60.0°
O18C17H171H172118.3°120.0°
C17O18C19C20102.1°180.0°
C17O18C19H19123.1°60.0°
C17O18C19H192132.6°60.0°
H171C17O18C1984.8°60.1°
H172C17O18C1924.6°59.9°
O18C19C20H191125.2°120.0°
O18C19C20H192125.3°120.0°
O18C19H191H192118.4°120.0°
O18C19C20N2171.9°60.0°
O18C19C20H20153.4°180.0°
O18C19C20H202162.8°60.0°
C20C19H191H192118.2°120.0°
C19C20N21H201125.3°120.0°
C19C20N21H202125.3°120.0°
C19C20H201H202116.5°120.0°
C19C20N21C22105.3°180.0°
C19C20N21H2174.7°0.0°
H191C19C20N21162.9°60.0°
H191C19C20H20171.8°60.0°
H191C19C20H20237.6°179.9°
H192C19C20N2153.4°180.0°
H192C19C20H201178.7°60.0°
H192C19C20H20271.9°60.1°
N21C20H201H202116.4°120.0°
C20N21C22H21180.0°180.0°
C20N21C22C23178.5°180.0°
C20N21C22O240.0°0.0°
H201C20N21C2220.0°59.9°
H201C20N21H21160.0°120.0°
H202C20N21C22129.4°60.1°
H202C20N21H2150.6°120.0°
N21C22C23O24178.6°180.0°
N21C22C23N25172.0°0.0°
N21C22C23C266.9°179.8°
H21N21C22C231.5°0.0°
H21N21C22O24180.0°180.0°
C22C23N25C26179.1°179.8°
C22C23N25C27179.1°180.0°
C22C23N25H250.9°0.0°
C22C23C26C28179.2°179.9°
C22C23C26H260.8°0.1°
O24C22C23N256.6°180.0°
O24C22C23C26174.5°0.3°
C23N25C27H25180.0°180.0°
N25C23C26C280.1°0.3°
N25C23C26H26179.8°179.7°
C23N25C27C280.2°0.0°
C23N25C27C29180.0°180.0°
C26C23N25C270.0°0.2°
C26C23N25H25180.0°179.8°
C23C26C28H26180.0°180.0°
C23C26C28C270.3°0.3°
C23C26C28C30179.6°179.9°
N25C27C28C260.3°0.2°
N25C27C28C29179.8°180.0°
N25C27C28C30179.7°180.0°
N25C27C29C31179.8°180.0°
N25C27C29H290.2°0.0°
H25N25C27C28179.8°180.0°
H25N25C27C290.1°0.0°
C26C28C27C30179.4°179.8°
C26C28C27C29179.9°179.8°
C26C28C30C32179.4°179.7°
C26C28C30H300.6°0.3°
H26C26C28C27179.7°179.6°
H26C26C28C300.4°0.1°
C28C27C29C310.5°0.0°
C28C27C29H29179.5°180.0°
C27C28C30C320.2°0.0°
C27C28C30H30179.8°180.0°
C29C27C28C300.5°0.0°
C27C29C31H29180.0°180.0°
C27C29C31C320.2°0.0°
C27C29C31H31179.8°180.0°
C28C30C32H30180.0°180.0°
C28C30C32C310.2°0.0°
C28C30C32CL33179.7°180.0°
C29C31C32C300.1°0.0°
C29C31C32H31179.9°180.0°
C29C31C32CL33179.7°180.0°
H29C29C31C32179.9°180.0°
H29C29C31H310.2°0.0°
C30C32C31CL33179.9°180.0°
C30C32C31H31179.9°180.0°
H30C30C32C31179.9°180.0°
H30C30C32CL330.2°0.0°
H31C31C32CL330.2°0.0°

225399

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