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A1ETP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23C22sing1.55Å1.32Å
C23N19sing1.49Å1.58Å
C22C21sing1.55Å1.46Å
C16C15doub1.38Å1.40ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
N19C18sing1.47Å1.19Å
N19C20sing1.48Å1.25Å
C15C14sing1.38Å1.37ÅAromatic
C18C17sing1.51Å1.55Å
C17C24doub1.38Å1.38ÅAromatic
C21C20sing1.54Å1.56Å
C26C27doub1.39Å1.41ÅAromatic
C26C11sing1.38Å1.42ÅAromatic
C27C28sing1.38Å1.42ÅAromatic
C14C13sing1.51Å1.56Å
C14C25doub1.38Å1.39ÅAromatic
C13O12sing1.43Å1.41Å
C24C25sing1.38Å1.41ÅAromatic
O12C11sing1.36Å1.43Å
C11C10doub1.40Å1.45ÅAromatic
C28C09doub1.39Å1.45ÅAromatic
C10C09sing1.40Å1.38ÅAromatic
C10C04sing1.47Å1.49ÅAromatic
C09N08sing1.38Å1.39ÅAromatic
C04C03doub1.39Å1.42ÅAromatic
C04C05sing1.40Å1.39ÅAromatic
N08C05sing1.38Å1.37ÅAromatic
C03C02sing1.38Å1.42ÅAromatic
C05C06doub1.39Å1.45ÅAromatic
C02BR01sing1.89Å1.95Å
C02C07doub1.39Å1.41ÅAromatic
C06C07sing1.38Å1.40ÅAromatic
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C03H031sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C24H241sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
N08H081sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C23N19107.7°103.3°
C23C22C21105.9°102.9°
C23C22H221110.4°110.7°
C23C22H222110.4°110.9°
C22C23H232109.9°110.6°
C22C23H231109.9°110.7°
C23N19C18114.0°111.0°
C23N19C20109.4°105.7°
N19C23H232109.9°110.5°
N19C23H231109.9°110.7°
C22C21C20104.8°105.1°
C22C21H211110.6°110.3°
C22C21H212110.7°110.4°
C21C22H221110.4°110.8°
C21C22H222110.4°110.7°
C15C16C17120.1°120.0°
C16C15C14120.0°120.0°
C16C15H151120.0°120.0°
C15C16H161120.0°120.0°
C16C17C18118.2°120.0°
C16C17C24119.9°120.0°
C17C16H161119.9°120.0°
C18N19C20114.7°111.3°
N19C18C17106.5°109.4°
N19C18H181110.2°109.5°
N19C18H182110.2°109.5°
N19C20C21105.7°107.2°
N19C20H201110.4°110.0°
N19C20H202110.4°109.9°
C15C14C13117.4°120.0°
C15C14C25120.4°120.0°
C14C15H151120.0°120.0°
C18C17C24121.9°120.0°
C17C18H181110.2°109.4°
C17C18H182110.2°109.5°
C17C24C25120.1°120.0°
C17C24H241120.0°120.0°
C21C20H201110.4°109.9°
C21C20H202110.4°109.9°
C20C21H211110.7°110.3°
C20C21H212110.6°110.3°
C27C26C11119.6°120.1°
C26C27C28120.2°120.6°
C27C26H261120.2°119.9°
C26C27H271119.9°119.7°
C26C11O12120.4°120.1°
C26C11C10120.2°119.7°
C11C26H261120.2°120.0°
C27C28C09120.2°120.2°
C28C27H271119.9°119.7°
C27C28H281119.9°119.9°
C13C14C25122.2°119.9°
C14C13O12112.8°109.5°
C14C13H131108.6°109.4°
C14C13H132108.6°109.5°
C14C25C24119.6°120.0°
C14C25H251120.2°120.0°
C13O12C11107.1°117.0°
O12C13H131108.7°109.5°
O12C13H132108.7°109.4°
C25C24H241120.0°120.0°
C24C25H251120.2°120.0°
O12C11C10119.3°120.2°
C11C10C09120.2°120.1°
C11C10C04133.8°133.4°
C28C09C10119.6°119.3°
C28C09N08131.7°132.3°
C09C28H281119.9°119.9°
C09C10C04106.1°106.5°
C10C09N08108.7°108.4°
C10C04C03133.2°133.5°
C10C04C05106.6°106.5°
C09N08C05110.3°110.2°
C09N08H081124.8°124.9°
C03C04C05120.2°120.1°
C04C03C02119.9°119.8°
C04C03H031120.0°120.1°
C04C05N08108.3°108.4°
C04C05C06119.9°119.3°
N08C05C06131.9°132.3°
C05N08H081124.8°124.9°
C03C02BR01120.0°119.9°
C03C02C07120.0°120.2°
C02C03H031120.0°120.1°
C05C06C07120.0°120.1°
C05C06H061120.0°120.0°
BR01C02C07120.0°119.9°
C02C07C06120.1°120.6°
C02C07H071120.0°119.7°
C07C06H061120.0°120.0°
C06C07H071119.9°119.7°
H131C13H132109.5°109.5°
H181C18H182109.5°109.5°
H201C20H202109.5°109.9°
H211C21H212109.5°110.3°
H221C22H222109.4°110.6°
H232C23H231109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C23N19H232119.7°118.4°
C22C23N19H231119.7°118.5°
C23C22C21H221119.5°118.4°
C23C22C21H222119.5°118.5°
C22C23N19C18126.2°159.7°
C22C23N19C203.9°39.0°
C23C22C21C2025.4°21.9°
C23C22C21H21193.9°97.0°
C23C22C21H212144.7°140.9°
C23C22H221H222121.6°123.3°
C22C23H232H231120.8°123.1°
N19C23C22C2118.7°37.3°
C23N19C18C20127.3°117.4°
C23N19C18C17137.9°170.0°
C23N19C20C2112.0°25.1°
C23N19C18H181102.6°50.0°
C23N19C18H18218.3°70.0°
C23N19C20H201107.4°144.5°
C23N19C20H202131.4°94.3°
N19C23C22H221138.2°155.7°
N19C23C22H222100.8°81.1°
N19C23H232H231120.8°123.1°
C22C21C20N1923.2°1.1°
C22C21C20H211119.2°118.9°
C22C21C20H212119.3°119.0°
C22C21C20H20196.3°120.6°
C22C21C20H202142.6°118.3°
C22C21H211H212122.2°122.2°
C21C22H221H222121.6°123.1°
C21C22C23H232138.4°81.0°
C21C22C23H231101.0°155.8°
C15C16C17H161180.0°180.0°
C16C15C14H151180.0°179.9°
C15C16C17C18179.2°180.0°
C15C16C17C240.1°0.0°
C16C15C14C13180.0°179.9°
C16C15C14C250.4°0.3°
C16C17C18N1925.4°90.0°
C17C16C15C140.2°0.0°
C16C17C18C24179.1°180.0°
C16C17C24C250.1°0.2°
C17C16C15H151179.8°180.0°
C16C17C18H181144.9°150.0°
C16C17C18H18294.2°30.0°
C16C17C24H241179.9°180.0°
N19C18C17H181119.5°119.9°
N19C18C17H182119.6°120.0°
N19C18C17C24153.7°90.0°
C18N19C20C21141.6°145.6°
N19C18H181H182121.3°120.1°
C18N19C20H20122.2°94.9°
C18N19C20H20299.0°26.2°
C18N19C23H2326.4°41.3°
C18N19C23H231114.1°81.8°
C20N19C18C1794.8°72.7°
N19C20C21H201119.4°119.5°
N19C20C21H202119.4°119.4°
C20N19C18H18124.8°167.4°
C20N19C18H182145.6°47.4°
N19C20H201H202121.7°121.1°
N19C20C21H21196.1°120.0°
N19C20C21H212142.4°117.9°
C20N19C23H232123.6°79.4°
C20N19C23H231115.9°157.5°
C15C14C13C25179.6°179.8°
C15C14C13O12167.9°89.7°
C15C14C25C240.4°0.5°
C15C14C13H13147.4°30.3°
C15C14C13H13271.6°150.3°
C14C15C16H161179.8°179.9°
C15C14C25H251179.6°179.7°
C18C17C24C25179.2°179.8°
C18C17C16H1610.8°0.0°
C17C18H181H182121.4°120.0°
C18C17C24H2410.8°0.0°
C17C24C25C140.1°0.5°
C17C24C25H241180.0°179.8°
C24C17C16H161179.9°180.0°
C24C17C18H18134.2°30.0°
C24C17C18H18286.8°150.0°
C17C24C25H251179.9°179.8°
C21C20H201H202121.8°121.1°
C20C21H211H212122.2°122.1°
C20C21C22H221144.9°140.3°
C20C21C22H22294.1°96.6°
C27C26C11H261180.0°179.8°
C26C27C28H271180.0°179.8°
C27C26C11O12179.0°180.0°
C27C26C11C101.3°0.1°
C26C27C28C090.1°0.5°
C26C27C28H281179.9°180.0°
C11C26C27C280.7°0.2°
C26C11O12C1394.3°0.0°
C26C11O12C10177.8°179.9°
C26C11C10C091.2°0.1°
C26C11C10C04179.5°179.7°
C11C26C27H271179.3°180.0°
C27C28C09H281180.0°179.5°
C27C28C09C100.0°0.5°
C27C28C09N08179.9°179.6°
C28C27C26H261179.2°180.0°
C14C13O12H131120.5°120.0°
C14C13O12H132120.5°120.1°
C13C14C25C24180.0°179.7°
C14C13O12C11179.4°180.0°
C14C13H131H132118.5°120.1°
C13C14C15H1510.0°0.0°
C13C14C25H2510.0°0.0°
C25C14C13O1212.4°90.0°
C14C25C24H251180.0°179.7°
C25C14C13H131132.9°150.0°
C25C14C13H132108.1°30.0°
C25C14C15H151179.6°179.7°
C14C25C24H241179.9°179.7°
C13O12C11C1083.5°180.0°
O12C13H131H132118.5°120.0°
O12C11C10C09179.0°180.0°
O12C11C10C041.7°0.3°
C11O12C13H13160.2°60.0°
C11O12C13H13258.9°60.0°
O12C11C26H2611.0°0.2°
C11C10C09C280.5°0.2°
C11C10C09C04179.5°179.8°
C11C10C09N08179.4°179.8°
C11C10C04C030.7°0.2°
C11C10C04C05179.3°179.8°
C10C11C26H261178.7°179.8°
C28C09C10N08180.0°180.0°
C28C09C10C04180.0°180.0°
C28C09N08C05180.0°180.0°
C09C28C27H271179.9°179.7°
C28C09N08H0810.0°0.0°
C09C10C04C03179.9°180.0°
C09C10C04C050.0°0.0°
C10C09N08C050.1°0.0°
C10C09C28H281180.0°180.0°
C10C09N08H081179.9°180.0°
C04C10C09N080.1°0.0°
C10C04C03C05180.0°180.0°
C10C04C05N080.0°0.0°
C10C04C03C02180.0°179.9°
C10C04C05C06180.0°179.9°
C10C04C03H0310.0°0.1°
C09N08C05C040.0°0.0°
C09N08C05H081180.0°180.0°
C09N08C05C06180.0°179.9°
N08C09C28H2810.1°0.0°
C03C04C05N08180.0°180.0°
C04C03C02H031180.0°180.0°
C03C04C05C060.0°0.1°
C04C03C02BR01180.0°180.0°
C04C03C02C070.0°0.1°
C04C05N08C06180.0°179.9°
C05C04C03C020.0°0.1°
C04C05C06C070.0°0.1°
C05C04C03H031179.9°179.9°
C04C05C06H061180.0°179.9°
C04C05N08H081180.0°180.0°
N08C05C06C07180.0°179.9°
N08C05C06H0610.1°0.1°
C03C02BR01C07180.0°180.0°
C03C02C07C060.0°0.0°
C03C02C07H071180.0°180.0°
C05C06C07C020.1°0.0°
C05C06C07H061180.0°180.0°
C05C06C07H071179.9°180.0°
C06C05N08H0810.0°0.1°
BR01C02C07C06179.9°180.0°
BR01C02C03H0310.0°0.0°
BR01C02C07H0710.1°0.0°
C02C07C06H071180.0°180.0°
C07C02C03H031180.0°179.9°
C02C07C06H061179.9°180.0°
H061C06C07H0710.1°0.0°
H151C15C16H1610.2°0.0°
H201C20C21H211144.5°120.5°
H201C20C21H21223.0°1.6°
H202C20C21H21123.3°0.6°
H202C20C21H21298.1°122.6°
H211C21C22H22125.6°21.4°
H211C21C22H222146.7°144.5°
H212C21C22H22195.9°100.7°
H212C21C22H22225.2°22.4°
H221C22C23H232102.1°37.4°
H221C22C23H23118.4°85.8°
H222C22C23H23219.0°160.6°
H222C22C23H231139.5°37.5°
H241C24C25H2510.1°0.0°
H261C26C27H2710.8°0.1°
H271C27C28H2810.1°0.2°

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