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RV6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C7sing1.53Å1.52Å
C7C9sing1.53Å1.50Å
C7N5sing1.46Å1.48Å
N5C6sing1.36Å1.37ÅAromatic
N5C4sing1.37Å1.37ÅAromatic
C6N4doub1.30Å1.32ÅAromatic
C13C12sing1.53Å1.52Å
C4N3doub1.33Å1.34ÅAromatic
C4C5sing1.40Å1.39ÅAromatic
N3C3sing1.32Å1.35ÅAromatic
N4C5sing1.36Å1.39ÅAromatic
C12C10sing1.53Å1.54Å
C5C2doub1.41Å1.41ÅAromatic
C3N6sing1.39Å1.33Å
C3N2doub1.33Å1.35ÅAromatic
N6C10sing1.47Å1.46Å
C10C11sing1.53Å1.53Å
C2N2sing1.33Å1.35ÅAromatic
C2N1sing1.38Å1.36Å
C11O1sing1.43Å1.41Å
N1C1sing1.40Å1.41Å
C14C1doub1.39Å1.39ÅAromatic
C14C15sing1.38Å1.38ÅAromatic
C1C18sing1.39Å1.39ÅAromatic
C15C16doub1.39Å1.39ÅAromatic
C18C17doub1.38Å1.38ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C16C19sing1.48Å1.49Å
N7C19doub1.33Å1.35ÅAromatic
N7C23sing1.32Å1.34ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
C23C22doub1.38Å1.38ÅAromatic
C20C21doub1.38Å1.38ÅAromatic
C22C21sing1.39Å1.38ÅAromatic
C23H231sing1.08Å1.08Å
C11H112sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C6H61sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
C13H132sing1.09Å1.10Å
C13H133sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C17H171sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
C20H201sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C7H71sing1.09Å1.10Å
C8H83sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
C9H93sing1.09Å1.10Å
N1H12sing0.97Å1.00Å
N6H62sing0.97Å1.00Å
O1H11sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C7C9114.0°109.5°
C8C7N5109.7°109.5°
C8C7H71107.2°109.4°
C7C8H83109.5°109.4°
C7C8H82109.5°109.5°
C7C8H81109.5°109.5°
C9C7N5110.5°109.5°
C9C7H71107.4°109.4°
C7C9H92109.5°109.5°
C7C9H91109.5°109.5°
C7C9H93109.5°109.5°
C7N5C6129.0°126.3°
C7N5C4126.0°126.3°
N5C7H71107.7°109.5°
C6N5C4105.0°107.4°
N5C6N4114.8°110.0°
N5C6H61122.6°125.0°
N5C4N3127.7°134.8°
N5C4C5106.4°106.0°
C6N4C5103.1°109.4°
N4C6H61122.6°125.0°
C13C12C10116.3°109.5°
C12C13H132109.5°109.4°
C12C13H133109.5°109.5°
C12C13H131109.5°109.5°
C13C12H121107.7°109.5°
C13C12H122107.7°109.4°
N3C4C5125.9°119.1°
C4N3C3112.5°120.6°
C4C5N4110.7°107.1°
C4C5C2117.1°118.3°
N3C3N6115.2°118.9°
N3C3N2127.2°122.2°
N4C5C2132.2°134.5°
C12C10N6108.2°109.4°
C12C10C11111.3°109.5°
C10C12H121107.8°109.5°
C10C12H122107.7°109.5°
C12C10H101107.5°109.4°
C5C2N2118.4°118.5°
C5C2N1118.9°120.8°
N6C3N2117.4°118.9°
C3N6C10125.5°120.0°
C3N6H62105.3°120.0°
C3N2C2118.7°121.2°
N6C10C11113.4°109.5°
N6C10H101108.5°109.5°
C10N6H62105.3°120.0°
C10C11O1110.3°109.5°
C10C11H112109.3°109.5°
C10C11H111109.3°109.4°
C11C10H101107.7°109.5°
N2C2N1122.7°120.7°
C2N1C1130.0°120.0°
C2N1H12115.0°120.0°
O1C11H112109.3°109.5°
O1C11H111109.2°109.4°
C11O1H11109.5°114.1°
N1C1C14115.1°119.9°
N1C1C18125.6°120.0°
C1N1H12115.0°120.0°
C1C14C15120.0°120.0°
C14C1C18119.3°120.1°
C1C14H141120.0°120.0°
C14C15C16121.6°120.0°
C14C15H151119.2°120.0°
C15C14H141120.0°120.0°
C1C18C17119.9°120.0°
C1C18H181120.1°120.0°
C15C16C17117.9°119.9°
C15C16C19120.2°120.0°
C16C15H151119.2°120.1°
C18C17C16121.4°119.9°
C18C17H171119.3°120.0°
C17C18H181120.1°120.0°
C17C16C19121.9°120.0°
C16C17H171119.3°120.0°
C16C19N7115.9°119.7°
C16C19C20122.6°119.8°
C19N7C23118.0°121.6°
N7C19C20121.4°120.5°
N7C23C22123.4°120.9°
N7C23H231118.3°119.6°
C19C20C21119.6°119.1°
C19C20H201120.2°120.4°
C23C22C21118.5°119.3°
C22C23H231118.3°119.5°
C23C22H221120.8°120.3°
C20C21C22119.1°118.6°
C21C20H201120.2°120.5°
C20C21H211120.4°120.8°
C22C21H211120.5°120.7°
C21C22H221120.7°120.4°
H112C11H111109.5°109.4°
H132C13H133109.5°109.4°
H132C13H131109.5°109.5°
H133C13H131109.5°109.5°
H121C12H122109.5°109.4°
H83C8H82109.4°109.4°
H83C8H81109.4°109.5°
H82C8H81109.5°109.5°
H92C9H91109.4°109.4°
H92C9H93109.5°109.5°
H91C9H93109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C7C9N5124.1°120.0°
C8C7C9H71118.6°119.9°
C8C7N5H71116.4°120.0°
C8C7N5C6103.6°60.0°
C8C7N5C474.5°120.4°
C7C8H83H82120.0°120.0°
C7C8H83H81120.0°120.0°
C7C8H82H81120.0°120.1°
C8C7C9H92180.0°180.0°
C8C7C9H9160.0°60.0°
C8C7C9H9360.0°60.0°
C9C7N5H71117.1°120.0°
C9C7N5C6129.9°60.0°
C9C7N5C452.0°119.5°
C9C7C8H83180.0°60.0°
C9C7C8H8260.0°59.9°
C9C7C8H8160.0°180.0°
C7C9H92H91120.0°120.0°
C7C9H92H93120.0°120.0°
C7C9H91H93120.0°120.0°
C7N5C6C4178.4°179.6°
C7N5C6N4179.2°180.0°
C7N5C4N30.8°0.3°
C7N5C4C5179.0°180.0°
C7N5C6H610.8°0.2°
N5C7C8H8355.4°60.0°
N5C7C8H82175.4°180.0°
N5C7C8H8164.6°60.0°
N5C7C9H9255.9°60.0°
N5C7C9H9164.1°180.0°
N5C7C9H93175.9°60.0°
N5C6N4H61180.0°179.8°
C6N5C4N3179.3°180.0°
C6N5C4C50.5°0.3°
N5C6N4C50.7°0.2°
C6N5C7H7112.8°180.0°
C4N5C6N40.8°0.3°
N5C4N3C5179.7°179.7°
N5C4N3C3178.4°179.6°
N5C4C5N40.1°0.2°
N5C4C5C2178.5°179.7°
C4N5C6H61179.2°179.8°
C4N5C7H71169.1°0.4°
C6N4C5C40.3°0.0°
C6N4C5C2178.7°179.9°
C13C12C10H121121.0°120.0°
C13C12C10H122121.0°120.0°
C13C12C10N668.3°65.0°
C13C12C10C11166.5°175.0°
C12C13H132H133120.0°120.0°
C12C13H132H131120.0°120.0°
C12C13H133H131120.0°120.0°
C13C12H121H122116.9°120.0°
C13C12C10H10148.7°55.0°
N3C4C5N4179.7°180.0°
N3C4C5C21.7°0.0°
C4N3C3N6179.1°180.0°
C4N3C3N23.6°0.0°
C5C4N3C31.8°0.0°
C4C5N4C2178.3°179.9°
C4C5C2N23.0°0.1°
C4C5C2N1179.9°180.0°
N3C3N6N2175.9°180.0°
N3C3N6C10116.2°180.0°
N3C3N2C25.2°0.1°
N3C3N6H625.9°0.0°
N4C5C2N2178.7°180.0°
N4C5C2N11.9°0.1°
C5N4C6H61179.3°180.0°
C12C10N6C360.1°155.0°
C12C10N6C11123.9°120.0°
C12C10N6H101116.4°120.0°
C12C10C11H101117.6°120.0°
C12C10C11O1179.1°55.0°
C12C10C11H11260.8°65.0°
C12C10C11H11159.0°175.0°
C10C12C13H132180.0°60.0°
C10C12C13H13360.0°60.0°
C10C12C13H13160.0°180.0°
C10C12H121H122116.9°120.0°
C12C10N6H6262.1°25.0°
C5C2N2C34.6°0.1°
C5C2N2N1176.7°179.9°
C5C2N1C1101.1°174.2°
C5C2N1H1278.9°5.7°
C3N6C10H62122.1°180.0°
C3N6C10C1163.9°85.0°
N6C3N2C2179.4°180.0°
C3N6C10H101176.5°35.0°
N2C3N6C1059.7°0.0°
C3N2C2N1178.7°180.0°
N2C3N6H62178.2°180.0°
N6C10C11H101120.1°120.1°
N6C10C11O158.7°64.9°
N6C10C11H11261.4°175.0°
N6C10C11H111178.8°55.1°
N6C10C12H12152.7°55.0°
N6C10C12H122170.7°175.0°
C10C11O1H112120.2°120.1°
C10C11O1H111120.1°120.0°
C10C11H112H111119.6°120.0°
C11C10C12H12172.5°65.0°
C11C10C12H12245.5°55.0°
C11C10N6H62174.0°95.0°
C10C11O1H11180.0°180.0°
N2C2N1C182.2°5.7°
N2C2N1H1297.8°174.3°
C2N1C1H12180.0°180.0°
C2N1C1C14101.2°37.5°
C2N1C1C1879.8°143.0°
O1C11H112H111119.6°119.9°
O1C11C10H10161.4°175.0°
N1C1C14C18179.1°179.5°
N1C1C14C15179.7°179.8°
N1C1C18C17179.6°180.0°
N1C1C14H1410.3°0.2°
N1C1C18H1810.3°0.5°
C1C14C15H141180.0°180.0°
C1C14C15C160.3°0.0°
C14C1C18C170.7°0.5°
C1C14C15H151179.8°179.9°
C14C1C18H181179.3°180.0°
C14C1N1H1278.8°142.4°
C15C14C1C180.6°0.3°
C14C15C16H151180.0°179.9°
C14C15C16C170.0°0.0°
C14C15C16C19179.6°179.7°
C1C18C17H181180.0°179.5°
C1C18C17C160.4°0.4°
C18C1C14H141179.4°179.7°
C1C18C17H171179.6°179.4°
C18C1N1H12100.2°37.1°
C15C16C17C180.0°0.2°
C15C16C17C19179.7°179.8°
C15C16C19N724.0°179.7°
C15C16C19C20155.5°0.3°
C16C15C14H141179.7°180.0°
C15C16C17H171180.0°179.6°
C18C17C16H171180.0°179.8°
C18C17C16C19179.7°180.0°
C17C16C19N7156.4°0.0°
C17C16C19C2024.2°180.0°
C17C16C15H151179.9°179.9°
C16C17C18H181179.6°180.0°
C16C19N7C20179.5°180.0°
C16C19N7C23179.6°180.0°
C16C19C20C21179.4°179.7°
C19C16C15H1510.4°0.3°
C19C16C17H1710.3°0.1°
C16C19C20H2010.6°0.0°
C19N7C23C220.2°0.0°
N7C19C20C210.0°0.3°
C19N7C23H231179.8°179.7°
N7C19C20H201179.9°180.0°
C23N7C19C200.1°0.0°
N7C23C22H231180.0°179.7°
N7C23C22C210.2°0.3°
N7C23C22H221179.8°179.8°
C19C20C21H201180.0°179.8°
C19C20C21C220.1°0.5°
C19C20C21H211179.9°180.0°
C23C22C21C200.0°0.5°
C23C22C21H221180.0°180.0°
C23C22C21H211180.0°180.0°
C20C21C22H211180.0°179.4°
C20C21C22H221180.0°179.5°
C21C22C23H231179.8°180.0°
C22C21C20H201179.9°179.7°
H231C23C22H2210.2°0.0°
H112C11C10H101178.4°54.9°
H112C11O1H1159.8°59.9°
H111C11C10H10158.7°65.0°
H111C11O1H1159.9°60.0°
H151C15C14H1410.2°0.1°
H132C13H133H131120.0°120.0°
H132C13C12H12159.0°60.0°
H132C13C12H12259.0°NaN°
H133C13C12H12161.0°180.0°
H133C13C12H122179.0°60.1°
H131C13C12H121179.0°60.0°
H131C13C12H12261.0°60.0°
H121C12C10H101169.7°175.0°
H122C12C10H10172.2°65.0°
H101C10N6H6254.4°144.9°
H171C17C18H1810.4°0.1°
H201C20C21H2110.1°0.3°
H211C21C22H2210.0°0.1°
H71C7C8H8361.3°180.0°
H71C7C8H8258.7°60.0°
H71C7C8H81178.7°60.0°
H71C7C9H9261.4°60.1°
H71C7C9H91178.7°59.9°
H71C7C9H9358.7°179.9°
H83C8H82H81119.9°120.0°
H92C9H91H93120.0°119.9°

224931

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