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P51

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C04sing1.43Å1.44Å
C01C02sing1.40Å1.40ÅAromatic
C01C3doub1.40Å1.41ÅAromatic
C04C05trip1.17Å1.20Å
C05C06sing1.47Å1.47Å
C06Osing1.43Å1.43Å
OC07sing1.36Å1.37Å
C07C08sing1.39Å1.40ÅAromatic
C07Cdoub1.39Å1.39ÅAromatic
C1C2sing1.51Å1.50Å
C1C3sing1.38Å1.40ÅAromatic
C1C7doub1.39Å1.42ÅAromatic
N1C2sing1.47Å1.49Å
N1C03sing1.47Å1.50Å
N1C16sing1.47Å1.50Å
O1C7sing1.36Å1.36Å
C02C4doub1.38Å1.41ÅAromatic
N2C10sing1.47Å1.54Å
N2C11sing1.47Å1.54Å
N2C13sing1.47Å1.52Å
C03C8sing1.53Å1.52Å
C4C7sing1.39Å1.41ÅAromatic
C4I2sing2.09Å2.13Å
C8C10sing1.53Å1.52Å
C10C15sing1.53Å1.54Å
C11C12sing1.53Å1.52Å
C13C14sing1.53Å1.52Å
C15C16sing1.53Å1.52Å
C08C09doub1.38Å1.40ÅAromatic
C09C17sing1.38Å1.39ÅAromatic
C17C18doub1.38Å1.39ÅAromatic
C18Csing1.38Å1.40ÅAromatic
C02H02sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C06H061sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C08H08sing1.08Å1.08Å
CHsing1.08Å1.08Å
C2H21Csing1.09Å1.10Å
C2H22Csing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
O1H1sing0.97Å0.95Å
C10H10sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C8H81Csing1.09Å1.10Å
C8H82Csing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C14H143sing1.09Å1.10Å
C09H09sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C04C01C02119.8°120.1°
C04C01C3119.3°120.1°
C01C04C05178.4°179.9°
C02C01C3120.9°119.8°
C01C02C4118.0°119.9°
C01C02H02121.0°120.0°
C01C3C1119.8°119.9°
C01C3H3120.1°120.0°
C04C05C06177.2°179.9°
C05C06O110.9°109.5°
C05C06H061109.1°109.5°
C05C06H062109.1°109.4°
C06OC07118.2°117.0°
OC06H061109.1°109.5°
OC06H062109.1°109.5°
OC07C08114.3°120.0°
OC07C126.1°120.1°
C08C07C119.7°119.9°
C07C08C09120.5°120.0°
C07C08H08119.8°120.0°
C07CC18119.9°119.9°
C07CH120.0°120.0°
C2C1C3118.5°119.9°
C2C1C7120.2°120.0°
C1C2N1113.9°109.5°
C1C2H21C108.4°109.5°
C1C2H22C108.4°109.5°
C3C1C7121.3°120.1°
C1C3H3120.1°120.1°
C1C7O1120.1°120.0°
C1C7C4116.8°120.2°
C2N1C03111.6°111.0°
C2N1C16111.3°111.0°
N1C2H21C108.3°109.5°
N1C2H22C108.4°109.4°
C03N1C16110.7°111.2°
N1C03C8108.1°109.5°
N1C03H031109.8°109.4°
N1C03H032109.8°109.4°
N1C16C15110.3°109.6°
N1C16H161109.3°109.5°
N1C16H162109.3°109.5°
O1C7C4123.2°119.9°
C7O1H1109.5°114.0°
C02C4C7123.3°120.1°
C02C4I2119.7°120.0°
C4C02H02121.0°120.0°
C10N2C11110.9°111.0°
C10N2C13115.5°111.0°
N2C10C8110.4°109.5°
N2C10C15105.9°109.5°
N2C10H10109.8°109.5°
C11N2C13110.5°111.0°
N2C11C12109.2°109.4°
N2C11H111109.5°109.5°
N2C11H112109.5°109.5°
N2C13C14112.3°109.5°
N2C13H131108.8°109.5°
N2C13H132108.8°109.5°
C03C8C10109.5°109.3°
C8C03H031109.8°109.5°
C8C03H032109.8°109.5°
C03C8H81C109.5°109.5°
C03C8H82C109.5°109.5°
C7C4I2116.9°120.0°
C8C10C15110.7°109.2°
C8C10H10110.0°109.5°
C10C8H81C109.5°109.5°
C10C8H82C109.5°109.5°
C10C15C16109.3°109.3°
C15C10H10109.9°109.5°
C10C15H151109.5°109.5°
C10C15H152109.5°109.5°
C12C11H111109.5°109.5°
C12C11H112109.5°109.5°
C11C12H121109.5°109.5°
C11C12H122109.5°109.5°
C11C12H123109.5°109.4°
C14C13H131108.8°109.4°
C14C13H132108.8°109.5°
C13C14H141109.5°109.5°
C13C14H142109.5°109.5°
C13C14H143109.5°109.5°
C15C16H161109.3°109.5°
C15C16H162109.3°109.4°
C16C15H151109.5°109.5°
C16C15H152109.5°109.5°
C08C09C17119.8°120.0°
C09C08H08119.8°120.0°
C08C09H09120.1°120.0°
C09C17C18120.0°120.1°
C17C09H09120.1°120.0°
C09C17H17120.0°119.9°
C17C18C120.2°120.1°
C18C17H17120.0°119.9°
C17C18H18119.9°120.0°
C18CH120.1°120.1°
CC18H18119.9°119.9°
H061C06H062109.4°109.5°
H21CC2H22C109.5°109.4°
H031C03H032109.5°109.5°
H161C16H162109.5°109.4°
H111C11H112109.5°109.5°
H131C13H132109.4°109.5°
H81CC8H82C109.5°109.5°
H151C15H152109.5°109.6°
H121C12H122109.5°109.5°
H121C12H123109.5°109.4°
H122C12H123109.5°109.5°
H141C14H142109.5°109.5°
H141C14H143109.4°109.4°
H142C14H143109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C04C01C02C3179.0°179.8°
C01C04C05C06117.7°141.1°
C04C01C3C1179.6°180.0°
C04C01C02C4179.6°180.0°
C04C01C02H020.3°0.0°
C04C01C3H30.4°0.1°
C02C01C04C05173.5°24.5°
C02C01C3C10.6°0.3°
C01C02C4H02180.0°179.9°
C01C02C4C70.3°0.0°
C01C02C4I2179.2°180.0°
C02C01C3H3179.4°179.7°
C3C01C04C055.5°155.3°
C01C3C1C2179.1°179.9°
C01C3C1H3180.0°179.9°
C01C3C1C70.2°0.0°
C3C01C02C40.6°0.3°
C3C01C02H02179.4°179.8°
C04C05C06O174.2°14.4°
C04C05C06H06165.6°105.6°
C04C05C06H06254.0°134.4°
C05C06OH061120.2°120.0°
C05C06OH062120.2°120.0°
C05C06OC0774.7°180.0°
C05C06H061H062119.4°120.0°
C06OC07C08173.1°180.0°
C06OC07C7.6°0.3°
OC06H061H062119.3°120.0°
OC07C08C179.4°179.7°
OC07C08C09180.0°180.0°
OC07CC18179.9°179.7°
C07OC06H06145.5°60.0°
C07OC06H062165.0°60.0°
OC07C08H080.1°0.0°
OC07CH0.1°0.0°
C07C08C09H08180.0°179.9°
C07C08C09C170.2°0.1°
C08C07CC180.8°0.6°
C08C07CH179.2°179.8°
C07C08C09H09179.8°180.0°
CC07C08C090.7°0.2°
C07CC18C170.4°0.6°
C07CC18H180.0°179.6°
CC07C08H08179.3°179.7°
C07CC18H18179.6°179.7°
C2C1C3C7179.3°179.9°
C1C2N1H21C120.7°120.1°
C1C2N1H22C120.7°120.0°
C1C2N1C03149.8°170.0°
C1C2N1C1686.0°65.8°
C2C1C7O11.0°0.1°
C2C1C7C4179.4°179.7°
C2C1C3H30.9°0.0°
C1C2H21CH22C118.0°120.0°
C3C1C2N1149.6°100.0°
C3C1C7O1179.7°180.0°
C3C1C7C40.1°0.3°
C3C1C2H21C28.9°20.1°
C3C1C2H22C89.8°140.0°
C7C1C2N131.1°79.9°
C1C7O1C4179.6°179.7°
C1C7C4C020.0°0.3°
C1C7C4I2179.6°179.8°
C7C1C3H3179.7°179.9°
C7C1C2H21C151.7°160.0°
C7C1C2H22C89.6°40.0°
C1C7O1H1180.0°89.9°
C2N1C03C16124.5°124.1°
C2N1C03C8173.1°174.2°
C2N1C16C15174.1°174.1°
N1C2H21CH22C118.0°119.9°
C2N1C03H03167.1°65.8°
C2N1C03H03253.3°54.1°
C2N1C16H16153.9°54.1°
C2N1C16H16265.8°65.9°
N1C03C8H031119.8°120.0°
N1C03C8H032119.8°120.0°
N1C03C8C1060.5°59.1°
C03N1C16C1561.3°61.7°
C03N1C2H21C89.6°70.0°
C03N1C2H22C29.1°50.0°
N1C03H031H032120.6°119.9°
C03N1C16H161178.6°178.2°
C03N1C16H16258.9°58.3°
N1C03C8H81C179.5°179.1°
N1C03C8H82C59.5°60.8°
C16N1C03C862.4°61.7°
N1C16C15C1056.7°59.1°
N1C16C15H161120.1°120.1°
N1C16C15H162120.1°120.0°
C16N1C2H21C34.6°54.3°
C16N1C2H22C153.3°174.2°
C16N1C03H03157.4°58.3°
C16N1C03H032177.8°178.2°
N1C16H161H162119.6°120.0°
N1C16C15H151176.7°179.1°
N1C16C15H15263.2°60.7°
O1C7C4C02179.6°180.0°
O1C7C4I20.8°0.0°
C02C4C7I2179.5°180.0°
C10N2C11C13129.4°124.0°
N2C10C8C03175.4°177.6°
N2C10C8C15117.0°119.9°
N2C10C8H10121.4°120.1°
N2C10C15H10118.5°120.1°
C10N2C11C1240.3°165.7°
C10N2C13C14174.5°56.4°
N2C10C15C16175.7°177.5°
C10N2C11H111160.3°45.7°
C10N2C11H11279.6°74.4°
C10N2C13H13154.1°63.6°
C10N2C13H13265.0°176.4°
N2C10C8H81C64.6°62.4°
N2C10C8H82C55.4°57.6°
N2C10C15H15164.4°62.5°
N2C10C15H15255.7°57.7°
C11N2C10C8167.0°180.0°
C11N2C10C1573.1°60.3°
N2C11C12H111119.9°120.0°
N2C11C12H112120.0°120.0°
C11N2C13C1447.7°67.6°
C11N2C10H1045.5°59.8°
N2C11H111H112120.1°120.0°
C11N2C13H13172.8°172.5°
C11N2C13H132168.1°52.5°
N2C11C12H121180.0°64.0°
N2C11C12H12260.0°56.1°
N2C11C12H12360.0°176.1°
C13N2C10C840.3°56.0°
C13N2C10C15160.3°175.8°
C13N2C11C1289.1°70.4°
N2C13C14H131120.4°120.0°
N2C13C14H132120.4°120.0°
C13N2C10H1081.2°64.1°
C13N2C11H11130.9°169.7°
C13N2C11H112151.0°49.6°
N2C13H131H132118.7°120.1°
N2C13C14H141180.0°176.6°
N2C13C14H14260.0°63.3°
N2C13C14H14360.0°56.7°
C03C8C10H81C120.0°120.0°
C03C8C10H82C120.0°120.0°
C03C8C10C1558.5°57.6°
C8C03H031H032120.7°120.0°
C03C8C10H1063.2°62.3°
C03C8H81CH82C120.0°120.1°
C7C4C02H02179.7°179.9°
C4C7O1H10.4°90.3°
I2C4C02H020.8°0.0°
C8C10C15H10121.7°120.0°
C8C10C15C1655.9°57.6°
C10C8C03H03159.3°60.8°
C10C8C03H032179.8°179.2°
C10C8H81CH82C120.0°120.1°
C8C10C15H151175.9°177.6°
C8C10C15H15264.0°62.3°
C10C15C16H151120.0°120.0°
C10C15C16H152120.0°119.9°
C10C15C16H161176.9°179.2°
C10C15C16H16263.4°60.9°
C15C10C8H81C178.5°177.6°
C15C10C8H82C61.5°62.3°
C10C15H151H152120.1°120.1°
C12C11H111H112120.1°120.0°
C11C12H121H122120.0°120.1°
C11C12H121H123120.0°120.0°
C11C12H122H123120.0°120.0°
C14C13H131H132118.7°120.0°
C13C14H141H142120.0°120.0°
C13C14H141H143120.0°120.0°
C13C14H142H143120.0°120.0°
C15C16H161H162119.6°119.9°
C16C15C10H1065.8°62.4°
C16C15H151H152120.0°120.1°
C08C09C17H09180.0°179.9°
C08C09C17C180.2°0.0°
C08C09C17H17179.8°180.0°
C09C17C18H17180.0°180.0°
C09C17C18C0.1°0.3°
C17C09C08H08179.8°180.0°
C09C17C18H18179.9°180.0°
C17C18CH18180.0°179.7°
C17C18CH179.6°179.7°
C18C17C09H09179.8°179.9°
CC18C17H17179.9°179.7°
H08C08C09H090.2°0.1°
HCC18H180.4°0.1°
H031C03C8H81C60.7°59.2°
H031C03C8H82C179.3°179.2°
H032C03C8H81C59.7°60.8°
H032C03C8H82C60.2°59.2°
H161C16C15H15163.1°60.9°
H161C16C15H15256.9°59.3°
H162C16C15H15156.6°59.1°
H162C16C15H152176.6°179.2°
H10C10C8H81C56.8°57.7°
H10C10C8H82C176.8°177.7°
H10C10C15H15154.2°57.6°
H10C10C15H152174.3°177.8°
H111C11C12H12160.1°176.1°
H111C11C12H122179.9°63.9°
H111C11C12H12359.9°56.1°
H112C11C12H12160.0°56.0°
H112C11C12H12260.0°176.1°
H112C11C12H123180.0°64.0°
H131C13C14H14159.6°56.7°
H131C13C14H142179.6°176.7°
H131C13C14H14360.4°63.3°
H132C13C14H14159.6°63.3°
H132C13C14H14260.5°56.7°
H132C13C14H143179.5°176.7°
H121C12H122H123120.0°120.0°
H141C14H142H143120.0°120.0°
H09C09C17H170.2°0.0°
H17C17C18H180.1°0.0°

246704

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