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X8A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18N6sing1.47Å1.45Å
O22B19sing1.37Å1.52Å
N6C1sing1.47Å1.46Å
O21B19sing1.37Å1.51Å
O8C7doub1.21Å1.25Å
B19C5sing1.60Å1.59Å
B19O20sing1.37Å1.50Å
C5C4sing1.53Å1.53Å
C3C4sing1.53Å1.53Å
C3C2sing1.53Å1.53Å
C1C7sing1.51Å1.53Å
C1C2sing1.53Å1.53Å
C1C10sing1.53Å1.53Å
C7O9sing1.34Å1.23Å
C11C10sing1.53Å1.53Å
C11N12sing1.47Å1.48Å
C13N12sing1.47Å1.47Å
C13C14sing1.53Å1.52Å
N12C17sing1.47Å1.47Å
C14C15sing1.53Å1.52Å
C17C16sing1.53Å1.52Å
C15C16sing1.53Å1.52Å
O9H1sing0.97Å0.95Å
N6H2sing1.01Å1.00Å
C18H4sing1.09Å1.10Å
C18H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C3H10sing1.09Å1.10Å
C4H11sing1.09Å1.10Å
C4H12sing1.09Å1.10Å
C5H13sing1.09Å1.10Å
C5H14sing1.09Å1.10Å
O22H15sing0.97Å0.95Å
O21H16sing0.97Å0.95Å
O20H17sing0.97Å0.95Å
C10H18sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C11H21sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C17H24sing1.09Å1.10Å
C16H25sing1.09Å1.10Å
C16H26sing1.09Å1.10Å
C15H27sing1.09Å1.10Å
C15H28sing1.09Å1.10Å
C14H29sing1.09Å1.10Å
C14H30sing1.09Å1.10Å
C13H31sing1.09Å1.10Å
C13H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18N6C1124.9°111.0°
C18N6H2105.5°111.0°
N6C18H4109.5°109.5°
N6C18H5109.5°109.5°
N6C18H6109.4°109.5°
O22B19O2198.0°109.5°
O22B19C5104.1°109.5°
O22B19O20101.9°109.4°
B19O22H15109.5°114.0°
N6C1C7109.1°109.4°
N6C1C2108.7°109.5°
N6C1C10110.9°109.5°
C1N6H2105.5°111.1°
O21B19C5118.1°109.5°
O21B19O20112.8°109.5°
B19O21H16109.5°114.0°
O8C7C1119.2°120.0°
O8C7O9118.9°120.0°
C5B19O20117.7°109.5°
B19C5C4114.8°109.5°
B19C5H13108.1°109.5°
B19C5H14108.1°109.4°
B19O20H17109.5°114.1°
C5C4C3111.9°109.5°
C5C4H11108.9°109.5°
C5C4H12108.8°109.5°
C4C5H13108.1°109.5°
C4C5H14108.1°109.5°
C4C3C2113.4°109.4°
C4C3H9108.5°109.5°
C4C3H10108.5°109.5°
C3C4H11108.9°109.5°
C3C4H12108.9°109.5°
C3C2C1114.6°109.5°
C3C2H7108.2°109.5°
C3C2H8108.1°109.5°
C2C3H9108.5°109.5°
C2C3H10108.5°109.4°
C7C1C2111.4°109.5°
C7C1C10109.6°109.5°
C1C7O9121.8°120.0°
C2C1C10107.2°109.5°
C1C2H7108.1°109.5°
C1C2H8108.2°109.5°
C1C10C11112.6°109.5°
C1C10H18108.7°109.4°
C1C10H19108.7°109.5°
C7O9H1109.5°117.0°
C10C11N12109.8°109.4°
C11C10H18108.7°109.5°
C11C10H19108.7°109.5°
C10C11H20109.4°109.4°
C10C11H21109.4°109.4°
C11N12C13112.2°111.0°
C11N12C17111.0°111.0°
N12C11H20109.4°109.5°
N12C11H21109.4°109.5°
N12C13C14109.7°109.5°
C13N12C17108.6°111.2°
N12C13H31109.4°109.5°
N12C13H32109.4°109.4°
C13C14C15110.8°109.3°
C13C14H29109.1°109.5°
C13C14H30109.1°109.5°
C14C13H31109.4°109.5°
C14C13H32109.4°109.4°
N12C17C16109.1°109.5°
N12C17H23109.6°109.5°
N12C17H24109.6°109.5°
C14C15C16109.7°109.1°
C14C15H27109.5°109.5°
C14C15H28109.4°109.6°
C15C14H29109.1°109.5°
C15C14H30109.1°109.5°
C17C16C15111.4°109.3°
C16C17H23109.6°109.4°
C16C17H24109.6°109.5°
C17C16H25109.0°109.5°
C17C16H26109.0°109.5°
C15C16H25109.0°109.5°
C15C16H26109.0°109.5°
C16C15H27109.4°109.5°
C16C15H28109.4°109.6°
H4C18H5109.5°109.4°
H4C18H6109.4°109.5°
H5C18H6109.5°109.4°
H7C2H8109.5°109.5°
H9C3H10109.4°109.5°
H11C4H12109.5°109.4°
H13C5H14109.5°109.5°
H18C10H19109.4°109.5°
H20C11H21109.5°109.5°
H23C17H24109.5°109.5°
H25C16H26109.4°109.5°
H27C15H28109.5°109.5°
H29C14H30109.5°109.5°
H31C13H32109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18N6C1H2122.1°124.0°
C18N6C1C7171.8°180.0°
C18N6C1C250.2°60.0°
C18N6C1C1067.4°60.0°
N6C18H4H5120.0°120.0°
N6C18H4H6120.0°120.1°
N6C18H5H6120.0°120.0°
O22B19O21C5110.8°120.0°
O22B19O21O20106.5°120.0°
O22B19C5O20111.8°120.0°
O22B19C5C476.2°180.0°
O22B19C5H13163.1°60.0°
O22B19C5H1444.6°60.0°
O22B19O21H16180.0°180.0°
O22B19O20H17180.0°60.1°
N6C1C7O83.2°145.0°
N6C1C2C377.9°60.0°
N6C1C7C2120.0°120.0°
N6C1C7C10121.6°120.0°
N6C1C2C10119.9°120.0°
N6C1C7O9176.3°35.0°
N6C1C10C1157.7°55.0°
C1N6C18H4180.0°180.0°
C1N6C18H560.0°60.0°
C1N6C18H660.0°60.0°
N6C1C2H742.9°180.0°
N6C1C2H8161.4°60.0°
N6C1C10H1862.8°65.0°
N6C1C10H19178.2°175.0°
O21B19C5O20140.9°120.0°
O21B19C5C4176.6°60.0°
O21B19C5H1355.8°180.0°
O21B19C5H1462.6°60.0°
O21B19O22H15180.0°180.0°
O21B19O20H1776.0°59.9°
O8C7C1O9179.5°179.9°
O8C7C1C2116.7°95.0°
O8C7C1C10124.8°25.0°
O8C7O9H10.0°0.0°
B19C5C4H13120.8°120.0°
B19C5C4H14120.8°120.0°
B19C5C4C3171.3°180.0°
B19C5C4H1150.9°60.0°
B19C5C4H1268.3°60.0°
B19C5H13H14117.6°120.0°
C5B19O22H1558.3°60.0°
C5B19O21H1669.2°60.0°
C5B19O20H1766.9°179.9°
O20B19C5C435.7°60.0°
O20B19C5H1385.1°60.0°
O20B19C5H14156.5°180.0°
O20B19O22H1564.6°60.0°
O20B19O21H1673.5°60.0°
C5C4C3H11120.4°120.0°
C5C4C3H12120.4°120.0°
C5C4C3C2177.8°180.0°
C5C4C3H957.2°60.0°
C5C4C3H1061.6°60.0°
C5C4H11H12118.9°120.0°
C4C5H13H14117.5°120.0°
C4C3C2H9120.6°120.0°
C4C3C2H10120.6°120.0°
C4C3C2C1169.9°180.0°
C4C3C2H749.1°60.0°
C4C3C2H869.4°60.0°
C4C3H9H10118.2°120.1°
C3C4H11H12118.9°120.0°
C3C4C5H1367.9°60.0°
C3C4C5H1450.5°60.0°
C3C2C1C742.4°60.0°
C3C2C1H7120.8°120.0°
C3C2C1H8120.7°120.0°
C3C2C1C10162.3°180.0°
C3C2H7H8117.6°120.0°
C2C3H9H10118.2°119.9°
C2C3C4H1161.8°60.0°
C2C3C4H1257.4°60.0°
C7C1C2C10119.9°120.0°
C7C1C10C1162.8°65.0°
C1C7O9H1179.5°179.9°
C7C1N6H249.7°56.1°
C7C1C2H7163.1°60.0°
C7C1C2H878.4°180.0°
C7C1C10H18176.7°175.0°
C7C1C10H1957.7°55.0°
C2C1C7O963.8°85.0°
C2C1C10C11176.1°175.0°
C2C1N6H271.9°63.9°
C1C2H7H8117.6°120.0°
C1C2C3H969.5°60.0°
C1C2C3H1049.3°60.0°
C2C1C10H1855.7°55.0°
C2C1C10H1963.4°65.0°
C10C1C7O954.7°155.0°
C1C10C11H18120.5°120.0°
C1C10C11H19120.5°120.0°
C1C10C11N12157.3°180.0°
C10C1N6H2170.5°176.1°
C10C1C2H777.0°60.0°
C10C1C2H841.5°60.0°
C1C10H18H19118.6°120.0°
C1C10C11H2082.6°60.0°
C1C10C11H2137.3°60.0°
C10C11N12H20120.0°120.0°
C10C11N12H21120.1°120.0°
C10C11N12C13178.5°65.8°
C10C11N12C1759.8°170.0°
C11C10H18H19118.6°120.0°
C10C11H20H21119.8°119.9°
C11N12C13C17123.1°124.1°
C11N12C13C14172.2°174.2°
C11N12C17C16171.5°174.1°
N12C11C10H1836.9°60.0°
N12C11C10H1982.2°60.0°
N12C11H20H21119.9°120.1°
C11N12C17H2351.5°54.2°
C11N12C17H2468.6°65.8°
C11N12C13H3167.8°65.8°
C11N12C13H3252.1°54.2°
N12C13C14H31120.0°120.0°
N12C13C14H32120.1°119.9°
N12C13C14C1558.6°59.2°
C13N12C17C1664.7°61.8°
C13N12C11H2061.5°174.2°
C13N12C11H2158.4°54.1°
C13N12C17H23175.3°178.3°
C13N12C17H2455.2°58.3°
N12C13C14H29178.8°60.8°
N12C13C14H3061.6°179.2°
N12C13H31H32119.9°119.9°
C14C13N12C1764.8°61.8°
C13C14C15H29120.2°120.0°
C13C14C15H30120.2°120.0°
C13C14C15C1651.8°57.7°
C13C14C15H2768.2°177.6°
C13C14C15H28171.8°62.3°
C13C14H29H30119.4°120.1°
C14C13H31H32119.9°120.0°
N12C17C16H23119.9°120.0°
N12C17C16H24119.9°120.1°
N12C17C16C1559.2°59.2°
C17N12C11H2060.2°50.0°
C17N12C11H21179.9°70.0°
N12C17H23H24120.2°120.0°
N12C17C16H2561.1°60.7°
N12C17C16H26179.6°179.2°
C17N12C13H3155.3°58.3°
C17N12C13H32175.2°178.3°
C14C15C16C1752.5°57.7°
C14C15C16H27120.1°119.9°
C14C15C16H28120.0°120.0°
C14C15C16H2567.8°62.3°
C14C15C16H26172.8°177.7°
C14C15H27H28119.9°120.2°
C15C14H29H30119.4°120.1°
C15C14C13H3161.4°60.8°
C15C14C13H32178.7°179.2°
C17C16C15H25120.3°120.0°
C17C16C15H26120.3°120.0°
C16C17H23H24120.2°119.9°
C17C16H25H26119.1°120.1°
C17C16C15H2767.6°177.5°
C17C16C15H28172.5°62.3°
C15C16C17H23179.2°179.2°
C15C16C17H2460.7°60.9°
C15C16H25H26119.1°120.1°
C16C15H27H28119.9°120.2°
C16C15C14H29172.0°62.3°
C16C15C14H3068.4°177.7°
H2N6C18H457.9°56.0°
H2N6C18H562.1°64.0°
H2N6C18H6177.9°176.0°
H4C18H5H6120.0°119.9°
H7C2C3H9169.7°180.0°
H7C2C3H1071.5°60.0°
H8C2C3H951.2°60.0°
H8C2C3H10170.0°180.0°
H9C3C4H11177.6°180.0°
H9C3C4H1263.2°60.0°
H10C3C4H1158.8°60.0°
H10C3C4H12178.0°179.9°
H11C4C5H13171.7°180.0°
H11C4C5H1469.9°60.0°
H12C4C5H1352.4°60.1°
H12C4C5H14170.8°180.0°
H18C10C11H20156.9°180.0°
H18C10C11H2183.2°60.0°
H19C10C11H2037.9°60.0°
H19C10C11H21157.8°180.0°
H23C17C16H2558.9°59.3°
H23C17C16H2660.5°60.8°
H24C17C16H25179.0°179.2°
H24C17C16H2659.6°59.1°
H25C16C15H27172.1°57.6°
H25C16C15H2852.2°177.7°
H26C16C15H2752.7°62.5°
H26C16C15H2867.2°57.7°
H27C15C14H2952.0°57.6°
H27C15C14H30171.5°62.5°
H28C15C14H2968.0°177.7°
H28C15C14H3051.6°57.7°
H29C14C13H3158.8°179.2°
H29C14C13H3261.1°59.2°
H30C14C13H31178.4°59.1°
H30C14C13H3258.5°60.9°

223532

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