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BV0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.51Å1.56Å
C2C1doub1.36Å1.36Å
C2C3sing1.40Å1.42Å
C1C6sing1.41Å1.47Å
C22C21sing1.55Å1.51Å
C22C23sing1.55Å1.56Å
C3C4doub1.35Å1.43Å
C21O2sing1.44Å1.30Å
C23C20sing1.54Å1.27Å
C6N1doub1.33Å1.35Å
C6Nsing1.37Å1.30Å
C4Nsing1.37Å1.35Å
O2C20sing1.44Å1.62Å
N1C7sing1.34Å1.37Å
NC5sing1.35Å1.41Å
C20C19sing1.53Å1.55Å
C19N5sing1.46Å1.54Å
C7N5sing1.34Å1.37ÅAromatic
C7C8doub1.42Å1.39ÅAromatic
N5C18doub1.32Å1.33ÅAromatic
C5C8sing1.46Å1.43Å
C5Odoub1.22Å1.36Å
C8C9sing1.39Å1.46ÅAromatic
C18N4sing1.38Å1.47Å
C18C10sing1.41Å1.44ÅAromatic
C9C10doub1.40Å1.40ÅAromatic
C10C11sing1.47Å1.56Å
C11O1doub1.22Å1.18Å
C11N2sing1.35Å1.46Å
N2C12sing1.47Å1.45Å
C12C13sing1.51Å1.50Å
C14C13doub1.38Å1.42ÅAromatic
C14N3sing1.32Å1.32ÅAromatic
C13C17sing1.39Å1.38ÅAromatic
N3C15doub1.32Å1.31ÅAromatic
C17C16doub1.39Å1.36ÅAromatic
C15C16sing1.38Å1.43ÅAromatic
C2H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
C9H4sing1.08Å1.08Å
C15H5sing1.08Å1.08Å
C16H6sing1.08Å1.08Å
C17H7sing1.08Å1.08Å
C20H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C22H12sing1.09Å1.10Å
C23H13sing1.09Å1.10Å
C23H14sing1.09Å1.10Å
CH15sing1.09Å1.10Å
CH16sing1.09Å1.10Å
CH17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C14H20sing1.08Å1.08Å
C19H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
N2H24sing0.97Å1.00Å
N4H25sing0.97Å1.00Å
N4H26sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2123.3°120.2°
CC1C6119.1°120.2°
C1CH15109.5°109.5°
C1CH16109.4°109.5°
C1CH17109.5°109.5°
C1C2C3119.5°119.7°
C2C1C6117.5°119.6°
C1C2H1120.2°120.2°
C2C3C4119.9°120.1°
C3C2H1120.2°120.2°
C2C3H2120.0°120.0°
C1C6N1115.5°118.5°
C1C6N122.1°119.3°
C21C22C23106.0°102.1°
C22C21O2106.8°103.5°
C22C21H9110.1°110.5°
C22C21H10110.2°110.9°
C21C22H11110.3°110.9°
C21C22H12110.3°110.9°
C22C23C20107.0°104.2°
C23C22H11110.3°110.9°
C23C22H12110.4°111.0°
C22C23H13110.1°110.5°
C22C23H14110.1°110.5°
C3C4N118.9°120.8°
C4C3H2120.0°119.9°
C3C4H3120.5°119.6°
C21O2C20108.5°107.0°
O2C21H9110.1°110.6°
O2C21H10110.1°110.6°
C23C20O2107.4°107.4°
C23C20C19111.6°109.9°
C23C20H8112.9°109.9°
C20C23H13110.1°110.5°
C20C23H14110.1°110.5°
N1C6N122.4°122.2°
C6N1C7120.6°122.3°
C6NC4121.9°120.5°
C6NC5120.7°120.5°
C4NC5117.4°119.0°
NC4H3120.6°119.6°
O2C20C19108.8°109.9°
O2C20H8107.6°109.9°
N1C7N5117.0°121.2°
N1C7C8120.3°118.9°
NC5C8118.0°117.9°
NC5O121.6°121.0°
C20C19N5111.1°109.5°
C19C20H8108.5°109.9°
C20C19H21109.1°109.5°
C20C19H22109.1°109.4°
C19N5C7119.3°119.1°
C19N5C18120.1°119.2°
N5C19H21109.0°109.5°
N5C19H22109.1°109.5°
N5C7C8122.7°120.0°
C7N5C18120.5°121.6°
C7C8C5118.0°118.3°
C7C8C9119.7°119.8°
N5C18N4119.0°119.3°
N5C18C10119.8°121.4°
C8C5O120.3°121.1°
C5C8C9122.3°121.8°
C8C9C10114.7°118.0°
C8C9H4122.7°121.0°
N4C18C10121.2°119.3°
C18N4H25120.0°120.0°
C18N4H26120.0°120.0°
C18C10C9122.4°119.2°
C18C10C11118.0°120.4°
C9C10C11119.4°120.4°
C10C9H4122.7°121.1°
C10C11O1122.0°120.0°
C10C11N2118.4°120.0°
O1C11N2119.2°120.0°
C11N2C12112.8°120.0°
C11N2H24123.6°120.0°
N2C12C13111.9°109.5°
N2C12H18108.9°109.5°
N2C12H19108.9°109.4°
C12N2H24123.6°120.0°
C12C13C14120.9°120.4°
C12C13C17118.4°120.4°
C13C12H18108.8°109.5°
C13C12H19108.9°109.5°
C13C14N3117.7°120.8°
C14C13C17120.6°119.2°
C13C14H20121.2°119.6°
C14N3C15123.1°121.7°
N3C14H20121.1°119.6°
C13C17C16119.8°118.4°
C13C17H7120.1°120.9°
N3C15C16121.7°120.8°
N3C15H5119.1°119.6°
C17C16C15117.0°119.1°
C17C16H6121.5°120.4°
C16C17H7120.1°120.7°
C16C15H5119.2°119.6°
C15C16H6121.5°120.4°
H9C21H10109.5°110.5°
H11C22H12109.4°110.8°
H13C23H14109.5°110.6°
H15CH16109.4°109.4°
H15CH17109.5°109.5°
H16CH17109.5°109.5°
H18C12H19109.5°109.5°
H21C19H22109.5°109.4°
H25N4H26120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C6178.0°179.7°
CC1C2C3179.8°179.7°
CC1C6N11.1°0.3°
CC1C6N179.5°179.8°
CC1C2H10.2°0.2°
C1CH15H16120.0°120.0°
C1CH15H17120.0°120.0°
C1CH16H17120.0°120.0°
C1C2C3H1180.0°179.9°
C1C2C3C41.5°0.0°
C2C1C6N1179.2°180.0°
C2C1C6N1.4°0.0°
C1C2C3H2178.6°180.0°
C2C1CH15180.0°89.7°
C2C1CH1660.0°30.3°
C2C1CH1760.0°150.3°
C3C2C1C61.8°0.0°
C2C3C4H2180.0°180.0°
C2C3C4N0.7°0.0°
C2C3C4H3179.3°180.0°
C1C6N1N179.3°179.9°
C1C6NC40.6°0.1°
C1C6N1C7179.1°180.0°
C1C6NC5179.3°180.0°
C6C1C2H1178.2°179.9°
C6C1CH152.0°90.0°
C6C1CH16122.0°150.0°
C6C1CH17118.0°30.0°
C21C22C23H11119.5°118.1°
C21C22C23H12119.4°118.2°
C22C21O2H9119.6°118.4°
C22C21O2H10119.6°118.8°
C21C22C23C2010.0°20.9°
C22C21O2C2015.0°39.9°
C22C21H9H10121.3°123.2°
C21C22H11H12121.6°123.6°
C21C22C23H13129.6°97.8°
C21C22C23H14109.6°139.5°
C23C22C21O24.9°37.0°
C22C23C20H13119.6°118.7°
C22C23C20H14119.6°118.6°
C22C23C20O218.1°1.9°
C22C23C20C19101.0°121.5°
C22C23C20H8136.6°117.5°
C23C22C21H9124.5°81.5°
C23C22C21H10114.6°155.6°
C23C22H11H12121.6°123.8°
C22C23H13H14121.1°122.6°
C3C4NC60.3°0.0°
C3C4NH3180.0°180.0°
C3C4NC5179.6°180.0°
C4C3C2H1178.5°180.0°
C21O2C20C2322.9°26.4°
C21O2C20C1998.1°145.9°
C21O2C20H8144.6°93.1°
O2C21H9H10121.2°122.8°
O2C21C22H11124.4°81.2°
O2C21C22H12114.5°155.3°
C23C20O2C19120.9°119.5°
C23C20O2H8121.8°119.5°
C23C20C19H8124.9°121.0°
C23C20C19N5179.1°175.3°
C20C23C22H11109.4°97.2°
C20C23C22H12129.5°139.1°
C20C23H13H14121.2°122.6°
C23C20C19H2158.9°64.7°
C23C20C19H2260.6°55.3°
N1C6NC4179.9°180.0°
N1C6NC50.0°0.1°
C6N1C7N5179.0°180.0°
C6N1C7C80.6°0.1°
C6NC4C5179.9°179.9°
NC6N1C70.3°0.1°
C6NC5C80.1°0.1°
C6NC5O179.2°180.0°
C6NC4H3179.7°180.0°
C4NC5C8180.0°180.0°
C4NC5O0.7°0.1°
NC4C3H2179.4°180.0°
O2C20C19H8116.8°121.0°
O2C20C19N560.8°66.7°
C20O2C21H9134.6°78.5°
C20O2C21H10104.6°158.7°
O2C20C23H13137.7°120.6°
O2C20C23H14101.5°116.7°
O2C20C19H2159.4°53.3°
O2C20C19H22178.9°173.3°
N1C7N5C191.7°0.1°
N1C7N5C8178.5°179.9°
N1C7N5C18179.3°180.0°
N1C7C8C50.6°0.1°
N1C7C8C9179.9°180.0°
NC5C8C70.3°0.1°
NC5C8O179.3°179.9°
NC5C8C9179.9°180.0°
C5NC4H30.4°0.0°
C20C19N5H21120.2°120.0°
C20C19N5H22120.2°120.0°
C20C19N5C7112.9°90.0°
C20C19N5C1869.5°90.1°
C19C20C23H1318.6°119.8°
C19C20C23H14139.4°2.8°
C20C19H21H22119.3°120.0°
C19N5C7C18177.6°179.9°
C19N5C7C8179.9°180.0°
C19N5C18N41.4°0.0°
C19N5C18C10179.2°180.0°
N5C19C20H856.0°54.3°
N5C19H21H22119.3°120.0°
N5C7C8C5179.0°180.0°
N5C7C8C91.5°0.1°
C7N5C18N4179.0°180.0°
C7N5C18C103.2°0.1°
C7N5C19H217.3°30.0°
C7N5C19H22126.8°150.0°
C8C7N5C182.3°0.1°
C7C8C5C9179.5°179.9°
C7C8C5O178.9°180.0°
C7C8C9C101.7°0.0°
C7C8C9H4178.3°180.0°
N5C18N4C10177.8°180.0°
N5C18C10C93.6°0.0°
N5C18C10C11178.4°179.9°
C18N5C19H21170.3°149.9°
C18N5C19H2250.8°29.9°
N5C18N4H25177.8°150.1°
N5C18N4H262.2°29.9°
C5C8C9C10178.8°179.9°
C5C8C9H41.2°0.0°
OC5C8C90.6°0.1°
C8C9C10C182.7°0.0°
C8C9C10H4180.0°179.9°
C8C9C10C11177.5°180.0°
N4C18C10C9178.6°180.0°
N4C18C10C113.8°0.0°
C18N4H25H26179.9°180.0°
C18C10C9C11174.7°179.9°
C18C10C11O14.5°5.4°
C18C10C11N2168.8°174.7°
C18C10C9H4177.3°180.0°
C10C18N4H250.0°30.0°
C10C18N4H26180.0°150.0°
C9C10C11O1179.5°174.7°
C9C10C11N26.1°5.2°
C10C11O1N2173.3°179.9°
C10C11N2C12176.1°180.0°
C11C10C9H42.5°0.1°
C10C11N2H243.9°0.1°
O1C11N2C122.6°0.1°
O1C11N2H24177.5°180.0°
C11N2C12H24180.0°179.9°
C11N2C12C13151.1°180.0°
C11N2C12H1888.6°59.9°
C11N2C12H1930.7°60.1°
N2C12C13H18120.4°120.0°
N2C12C13H19120.4°119.9°
N2C12C13C1468.0°89.7°
N2C12C13C17115.1°90.0°
N2C12H18H19118.9°119.9°
C12C13C14C17176.9°179.7°
C12C13C14N3179.9°179.8°
C12C13C17C16178.1°180.0°
C12C13C17H71.9°0.0°
C13C12H18H19118.9°120.0°
C12C13C14H200.1°0.3°
C13C12N2H2428.9°0.1°
C13C14N3H20180.0°179.9°
C13C14N3C154.0°0.0°
C14C13C17C161.1°0.3°
C14C13C17H7178.9°179.7°
C14C13C12H18171.7°30.3°
C14C13C12H1952.4°150.3°
N3C14C13C173.0°0.1°
C14N3C15C163.0°0.3°
C14N3C15H5177.0°179.8°
C13C17C16H7180.0°180.0°
C13C17C16C150.1°0.5°
C13C17C16H6179.9°179.4°
C17C13C12H185.3°150.0°
C17C13C12H19124.5°30.0°
C17C13C14H20177.0°180.0°
N3C15C16C170.9°0.5°
N3C15C16H5180.0°179.6°
N3C15C16H6179.1°179.4°
C15N3C14H20176.0°180.0°
C17C16C15H6180.0°180.0°
C17C16C15H5179.1°179.9°
C15C16C17H7180.0°179.5°
H1C2C3H21.4°0.0°
H2C3C4H30.6°0.0°
H5C15C16H60.9°0.1°
H6C16C17H70.0°0.6°
H8C20C23H13103.8°1.2°
H8C20C23H1417.0°123.8°
H8C20C19H21176.2°174.3°
H8C20C19H2264.3°65.7°
H9C21C22H11116.0°160.4°
H9C21C22H125.0°36.8°
H10C21C22H114.8°37.4°
H10C21C22H12125.9°86.1°
H11C22C23H1310.2°144.0°
H11C22C23H14131.0°21.4°
H12C22C23H13110.9°20.4°
H12C22C23H149.9°102.3°
H15CH16H17120.0°120.0°
H18C12N2H2491.4°120.0°
H19C12N2H24149.3°120.0°

222926

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