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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8Osing1.43Å1.40Å
C8C9sing1.53Å1.51Å
OC7sing1.43Å1.41Å
C9N3sing1.47Å1.47Å
C7C6sing1.53Å1.54Å
C14C13sing1.53Å1.50Å
C14N4sing1.47Å1.47Å
C13O1sing1.43Å1.44Å
N3C6sing1.47Å1.48Å
N3C4sing1.39Å1.46Å
C6C10sing1.53Å1.52Å
CC4doub1.39Å1.39ÅAromatic
CC1sing1.39Å1.41ÅAromatic
O1C12sing1.43Å1.42Å
C4C3sing1.40Å1.36ÅAromatic
N4C1sing1.39Å1.41Å
N4C11sing1.47Å1.47Å
C1Ndoub1.32Å1.36ÅAromatic
C15C11sing1.53Å1.52Å
C12C11sing1.53Å1.53Å
C3N2sing1.38Å1.36ÅAromatic
C3C2doub1.40Å1.38ÅAromatic
NC2sing1.34Å1.34ÅAromatic
N2C5sing1.37Å1.36ÅAromatic
C2N1sing1.35Å1.39ÅAromatic
C5N1doub1.31Å1.33ÅAromatic
C5C16sing1.48Å1.47Å
C20C16doub1.39Å1.39ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
C16N5sing1.33Å1.34ÅAromatic
C19C18doub1.39Å1.37ÅAromatic
N5C17doub1.32Å1.34ÅAromatic
C18C17sing1.38Å1.38ÅAromatic
C11H12sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C15H21sing1.09Å1.10Å
C17H22sing1.08Å1.08Å
C18H23sing1.08Å1.08Å
C19H24sing1.08Å1.08Å
C20H25sing1.08Å1.08Å
CHsing1.08Å1.08Å
C10H11sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
N2H1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OC8C9111.5°109.2°
C8OC7109.1°113.7°
OC8H6109.0°109.5°
OC8H5109.0°109.5°
C8C9N3109.8°109.3°
C9C8H6109.0°109.5°
C9C8H5109.0°109.5°
C8C9H7109.4°109.5°
C8C9H8109.4°109.5°
OC7C6111.5°109.3°
OC7H4109.0°109.5°
OC7H3109.0°109.5°
C9N3C6117.6°110.8°
C9N3C4118.3°111.0°
N3C9H7109.4°109.5°
N3C9H8109.4°109.5°
C7C6N3109.9°109.3°
C7C6C10110.5°109.5°
C7C6H2108.1°109.5°
C6C7H4109.0°109.5°
C6C7H3109.0°109.5°
C13C14N4109.3°109.2°
C14C13O1111.1°109.3°
C14C13H15109.1°109.5°
C14C13H16109.1°109.5°
C13C14H18109.5°109.5°
C13C14H17109.5°109.5°
C14N4C1119.7°111.0°
C14N4C11119.0°110.8°
N4C14H18109.5°109.5°
N4C14H17109.5°109.6°
C13O1C12106.8°113.8°
O1C13H15109.1°109.5°
O1C13H16109.0°109.5°
C6N3C4121.7°111.0°
N3C6C10111.2°109.5°
N3C6H2108.9°109.5°
N3C4C121.0°120.9°
N3C4C3121.1°121.0°
C6C10H11109.5°109.5°
C6C10H10109.5°109.5°
C6C10H9109.5°109.4°
C10C6H2108.3°109.5°
C4CC1117.9°119.3°
CC4C3117.9°118.1°
C4CH121.0°120.3°
CC1N4120.5°119.3°
CC1N123.8°121.3°
C1CH121.0°120.4°
O1C12C11110.0°109.3°
O1C12H14109.3°109.5°
O1C12H13109.3°109.5°
C4C3N2132.0°134.0°
C4C3C2121.3°119.6°
C1N4C11121.2°111.0°
N4C1N115.8°119.4°
N4C11C15111.3°109.6°
N4C11C12106.6°109.3°
N4C11H12109.2°109.5°
C1NC2116.1°121.6°
C15C11C12112.6°109.5°
C15C11H12108.6°109.5°
C11C15H19109.5°109.5°
C11C15H20109.5°109.5°
C11C15H21109.5°109.4°
C12C11H12108.4°109.5°
C11C12H14109.3°109.5°
C11C12H13109.3°109.5°
N2C3C2106.6°106.4°
C3N2C5106.9°107.0°
C3N2H1126.6°126.5°
C3C2N123.0°120.0°
C3C2N1109.7°107.1°
NC2N1127.3°132.9°
N2C5N1112.6°109.6°
N2C5C16121.5°125.2°
C5N2H1126.6°126.5°
C2N1C5104.2°109.9°
N1C5C16125.9°125.1°
C5C16C20120.9°119.8°
C5C16N5116.3°119.7°
C16C20C19118.5°119.1°
C20C16N5122.8°120.5°
C16C20H25120.8°120.5°
C20C19C18119.8°118.5°
C20C19H24120.1°120.7°
C19C20H25120.7°120.4°
C16N5C17117.1°121.6°
C19C18C17118.1°119.4°
C19C18H23121.0°120.3°
C18C19H24120.1°120.8°
N5C17C18123.8°120.9°
N5C17H22118.1°119.5°
C18C17H22118.1°119.6°
C17C18H23121.0°120.3°
H14C12H13109.5°109.5°
H15C13H16109.5°109.5°
H18C14H17109.5°109.6°
H19C15H20109.5°109.5°
H19C15H21109.5°109.5°
H20C15H21109.5°109.5°
H11C10H10109.5°109.5°
H11C10H9109.4°109.4°
H10C10H9109.5°109.5°
H4C7H3109.5°109.5°
H6C8H5109.4°109.6°
H7C9H8109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC8C9H6120.3°119.9°
OC8C9H5120.3°119.9°
OC8C9N354.3°56.8°
C8OC7C664.4°58.7°
C8OC7H455.9°178.6°
C8OC7H3175.2°61.3°
OC8H6H5119.1°120.1°
OC8C9H765.8°176.8°
OC8C9H8174.3°63.1°
C9C8OC766.9°58.7°
C8C9N3H7120.0°119.9°
C8C9N3H8120.0°120.0°
C8C9N3C642.3°58.6°
C8C9N3C4120.3°177.6°
C9C8H6H5119.1°120.2°
C8C9H7H8119.9°120.1°
OC7C6H4120.3°120.0°
OC7C6H3120.3°119.9°
OC7C6N349.9°56.8°
OC7C6C1073.1°176.8°
OC7C6H2168.6°63.2°
OC7H4H3119.1°120.1°
C7OC8H6172.8°61.2°
C7OC8H553.4°178.6°
C9N3C6C740.4°58.6°
C9N3C6C4162.0°123.8°
C9N3C6C1082.3°178.6°
C9N3C4C4.2°63.9°
C9N3C4C3174.4°116.0°
C9N3C6H2158.5°61.4°
N3C9C8H6174.6°63.1°
N3C9C8H566.1°176.7°
N3C9H7H8119.9°120.1°
C7C6N3C10122.6°119.9°
C7C6N3H2118.1°120.0°
C7C6N3C4121.6°177.6°
C7C6C10H2118.2°120.1°
C7C6C10H11180.0°59.9°
C7C6C10H1060.0°179.9°
C7C6C10H960.0°60.0°
C6C7H4H3119.1°120.1°
C13C14N4H18119.9°119.9°
C13C14N4H17120.0°119.9°
C14C13O1H15120.3°119.9°
C14C13O1H16120.2°120.0°
C14C13O1C1267.0°58.6°
C13C14N4C1139.0°177.6°
C13C14N4C1143.3°58.6°
C14C13H15H16119.3°120.1°
C13C14H18H17120.1°120.1°
N4C14C13O151.7°56.8°
C14N4C1C38.4°56.3°
C14N4C1C11177.7°123.7°
C14N4C1N141.7°123.9°
C14N4C11C1577.9°178.6°
C14N4C11C1245.3°58.6°
C14N4C11H12162.2°61.3°
N4C14C13H15172.0°176.8°
N4C14C13H1668.5°63.2°
N4C14H18H17120.1°120.2°
C13O1C12C1170.2°58.6°
C13O1C12H14169.7°61.3°
C13O1C12H1349.9°178.6°
O1C13H15H16119.2°120.1°
O1C13C14H18171.7°63.1°
O1C13C14H1768.2°176.8°
N3C6C10H2119.6°120.1°
C6N3C4C157.7°59.7°
C6N3C4C323.7°120.4°
N3C6C10H1157.7°59.9°
N3C6C10H10177.7°60.1°
N3C6C10H962.2°179.8°
N3C6C7H470.4°176.8°
N3C6C7H3170.2°63.1°
C6N3C9H777.8°178.5°
C6N3C9H8162.3°61.3°
C4N3C6C10115.8°57.6°
N3C4CC3178.6°179.9°
N3C4CC1179.2°180.0°
N3C4C3N20.7°0.1°
N3C4C3C2179.3°180.0°
N3C4CH0.7°0.1°
C4N3C6H23.5°62.4°
C4N3C9H7119.6°57.7°
C4N3C9H80.3°62.5°
C6C10H11H10120.0°120.1°
C6C10H11H9120.0°119.9°
C6C10H10H9120.0°120.0°
C10C6C7H4166.6°63.3°
C10C6C7H347.2°56.8°
C4CC1H180.0°179.9°
C4CC1N4179.9°179.7°
C4CC1N0.2°0.0°
CC4C3N2179.3°180.0°
CC4C3C20.7°0.1°
C1CC4C30.6°0.1°
CC1N4N179.8°179.8°
CC1N4C11139.2°67.4°
CC1NC20.2°0.0°
O1C12C11N457.5°56.8°
O1C12C11C1564.9°176.8°
O1C12C11H14120.1°119.9°
O1C12C11H13120.1°120.0°
O1C12C11H12174.9°63.1°
O1C12H14H13119.8°120.1°
C12O1C13H15172.7°178.6°
C12O1C13H1653.2°61.3°
C4C3N2C2180.0°179.9°
C4C3C2N0.3°0.1°
C4C3N2C5179.5°180.0°
C4C3C2N1179.7°180.0°
C3C4CH179.4°180.0°
C4C3N2H10.5°0.1°
C1N4C11C1599.8°57.6°
C1N4C11C12137.0°177.6°
N4C1NC2179.7°179.7°
C1N4C11H1220.1°62.5°
C1N4C14H1819.1°62.5°
C1N4C14H17101.0°57.7°
N4C1CH0.1°0.2°
C11N4C1N40.6°112.4°
N4C11C15C12119.7°119.8°
N4C11C15H12120.2°120.1°
N4C11C12H12117.4°119.9°
N4C11C12H14177.5°63.1°
N4C11C12H1362.6°176.8°
C11N4C14H18163.2°61.3°
C11N4C14H1776.7°178.5°
N4C11C15H19180.0°179.9°
N4C11C15H2060.0°60.1°
N4C11C15H2160.0°59.9°
C1NC2C30.1°0.0°
C1NC2N1179.9°179.9°
NC1CH179.8°180.0°
C15C11C12H12120.2°120.1°
C15C11C12H1455.2°56.9°
C15C11C12H13175.0°63.2°
C11C15H19H20120.0°120.0°
C11C15H19H21120.0°120.0°
C11C15H20H21120.0°120.0°
C11C12H14H13119.7°120.1°
C12C11C15H1960.3°60.1°
C12C11C15H20179.6°179.9°
C12C11C15H2159.7°59.9°
N2C3C2N179.7°180.0°
C3N2C5H1180.0°179.9°
N2C3C2N10.4°0.1°
C3N2C5N10.5°0.0°
C3N2C5C16178.9°180.0°
C3C2NN1179.9°179.9°
C2C3N2C50.5°0.1°
C3C2N1C50.0°0.0°
C2C3N2H1179.5°180.0°
NC2N1C5180.0°179.9°
N2C5N1C20.3°0.0°
N2C5N1C16179.4°179.9°
N2C5C16C2031.7°179.7°
N2C5C16N5148.6°0.1°
C2N1C5C16179.1°179.9°
N1C5C16C20147.7°0.3°
N1C5C16N532.1°180.0°
N1C5N2H1179.5°180.0°
C5C16C20N5179.7°179.7°
C5C16C20C19179.9°179.7°
C5C16N5C17179.9°179.7°
C5C16C20H250.1°0.4°
C16C5N2H11.1°0.1°
C16C20C19H25180.0°180.0°
C16C20C19C180.1°0.0°
C20C16N5C170.4°0.0°
C16C20C19H24179.9°179.9°
C19C20C16N50.4°0.0°
C20C19C18H24180.0°180.0°
C20C19C18C170.1°0.0°
C20C19C18H23180.0°179.9°
C16N5C17C180.2°0.0°
C16N5C17H22179.8°180.0°
N5C16C20H25179.6°180.0°
C19C18C17N50.0°0.0°
C19C18C17H23180.0°180.0°
C19C18C17H22180.0°180.0°
C18C19C20H25179.9°180.0°
N5C17C18H22180.0°179.9°
N5C17C18H23180.0°180.0°
C17C18C19H24179.9°180.0°
H12C11C12H1465.0°177.0°
H12C11C12H1354.8°56.9°
H12C11C15H1959.8°60.0°
H12C11C15H2060.3°60.0°
H12C11C15H21179.8°180.0°
H15C13C14H1868.0°56.9°
H15C13C14H1752.0°63.3°
H16C13C14H1851.5°177.0°
H16C13C14H17171.5°56.8°
H19C15H20H21120.0°120.0°
H22C17C18H230.0°0.1°
H23C18C19H240.0°0.1°
H24C19C20H250.1°0.0°
H11C10H10H9120.0°120.0°
H11C10C6H261.8°180.0°
H10C10C6H258.2°60.0°
H9C10C6H2178.2°60.1°
H2C6C7H448.2°56.8°
H2C6C7H371.1°176.9°
H6C8C9H754.5°56.9°
H6C8C9H865.4°177.0°
H5C8C9H7173.9°63.3°
H5C8C9H854.0°56.8°

225946

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