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1UL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23C1sing1.51Å1.51Å
O1C1doub1.21Å1.23Å
C1N1sing1.35Å1.35Å
N1C22sing1.47Å1.47Å
N1C2sing1.47Å1.47Å
C22C21sing1.53Å1.53Å
C21C4sing1.53Å1.53Å
C17C16doub1.39Å1.39ÅAromatic
C17C18sing1.37Å1.40ÅAromatic
C2C3sing1.54Å1.53Å
C3C4sing1.53Å1.53Å
N3C5doub1.31Å1.35ÅAromatic
N3N2sing1.40Å1.40ÅAromatic
C16C15sing1.39Å1.40ÅAromatic
C18C19doub1.41Å1.39ÅAromatic
C5C6sing1.41Å1.40ÅAromatic
C4N2sing1.47Å1.49Å
N2C7sing1.35Å1.32ÅAromatic
C15C11sing1.48Å1.38Å
C15C20doub1.40Å1.38ÅAromatic
C10C11doub1.36Å1.41ÅAromatic
C10C9sing1.46Å1.44ÅAromatic
C19C20sing1.41Å1.39ÅAromatic
C19N6sing1.34Å1.37ÅAromatic
C6C7doub1.37Å1.39ÅAromatic
C6C8sing1.48Å1.40Å
C11O2sing1.35Å1.27ÅAromatic
C20Ssing1.77Å1.77ÅAromatic
C9C8doub1.41Å1.40ÅAromatic
C9C12sing1.40Å1.36ÅAromatic
C8C14sing1.39Å1.40ÅAromatic
N6N7doub1.27Å1.43ÅAromatic
O2C12sing1.35Å1.41ÅAromatic
C12C13doub1.40Å1.37ÅAromatic
C14N4doub1.32Å1.35ÅAromatic
SN7sing1.57Å1.78ÅAromatic
C13N4sing1.32Å1.34ÅAromatic
C13N5sing1.39Å1.35Å
C23H1sing1.09Å1.10Å
C23H2sing1.09Å1.10Å
C23H3sing1.09Å1.10Å
C22H4sing1.09Å1.10Å
C22H5sing1.09Å1.10Å
C21H6sing1.09Å1.10Å
C21H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C3H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C7H13sing1.08Å1.08Å
C5H14sing1.08Å1.08Å
C14H15sing1.08Å1.08Å
N5H16sing0.97Å1.00Å
N5H17sing0.97Å1.00Å
C10H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C17H20sing1.08Å1.08Å
C16H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23C1O1119.5°120.0°
C23C1N1118.8°120.0°
C1C23H1109.5°109.5°
C1C23H2109.5°109.5°
C1C23H3109.5°109.5°
O1C1N1121.6°120.0°
C1N1C22125.3°120.6°
C1N1C2122.1°120.6°
C22N1C2112.6°118.7°
N1C22C21104.2°108.8°
N1C22H4110.8°109.6°
N1C22H5110.8°109.6°
N1C2C3105.9°108.5°
N1C2H11110.4°109.6°
N1C2H12110.4°109.6°
C22C21C4109.7°109.3°
C21C22H4110.8°109.6°
C21C22H5110.8°109.6°
C22C21H6109.4°109.5°
C22C21H7109.4°109.5°
C21C4C3109.8°109.6°
C21C4N2112.6°109.5°
C4C21H6109.4°109.5°
C4C21H7109.4°109.5°
C21C4H8107.4°109.5°
C16C17C18120.2°121.2°
C17C16C15120.1°119.8°
C16C17H20119.9°119.4°
C17C16H21119.9°120.1°
C17C18C19120.0°120.4°
C17C18H19120.0°119.7°
C18C17H20119.9°119.3°
C2C3C4109.1°109.2°
C2C3H9109.6°109.6°
C2C3H10109.5°109.4°
C3C2H11110.4°109.7°
C3C2H12110.4°109.7°
C3C4N2111.7°109.5°
C3C4H8107.3°109.4°
C4C3H9109.5°109.5°
C4C3H10109.6°109.5°
C5N3N2105.0°108.5°
N3C5C6109.5°108.1°
N3C5H14125.3°126.0°
N3N2C4117.7°125.9°
N3N2C7111.5°108.3°
C16C15C11122.0°120.3°
C16C15C20118.7°119.3°
C15C16H21120.0°120.1°
C18C19C20118.7°118.0°
C18C19N6131.0°131.9°
C19C18H19120.0°119.8°
C5C6C7106.7°107.5°
C5C6C8128.9°126.2°
C6C5H14125.2°125.9°
C4N2C7130.7°125.8°
N2C4H8107.8°109.4°
N2C7C6107.2°107.5°
N2C7H13126.4°126.3°
C11C15C20119.2°120.4°
C15C11C10127.0°125.2°
C15C11O2125.3°125.1°
C15C20C19122.4°121.2°
C15C20S123.7°134.9°
C11C10C9109.0°106.1°
C10C11O2107.6°109.7°
C11C10H18125.5°126.9°
C10C9C8138.6°135.3°
C10C9C12103.0°105.9°
C9C10H18125.5°127.0°
C20C19N6110.3°110.1°
C19C20S113.9°103.9°
C19N6N7117.8°120.0°
C7C6C8124.4°126.2°
C6C7H13126.4°126.2°
C6C8C9124.5°120.7°
C6C8C14119.0°120.8°
C11O2C12111.0°110.8°
C20SN790.3°95.4°
C8C9C12118.3°118.8°
C9C8C14116.5°118.5°
C9C12O2109.4°107.5°
C9C12C13124.1°118.5°
C8C14N4122.4°121.0°
C8C14H15118.8°119.5°
N6N7S107.7°110.5°
O2C12C13126.5°134.0°
C12C13N4117.1°120.6°
C12C13N5121.5°119.7°
C14N4C13121.5°122.7°
N4C14H15118.8°119.5°
N4C13N5121.3°119.7°
C13N5H16109.5°120.0°
C13N5H17109.4°120.0°
H1C23H2109.5°109.5°
H1C23H3109.5°109.5°
H2C23H3109.5°109.4°
H4C22H5109.5°109.7°
H6C21H7109.5°109.5°
H9C3H10109.5°109.6°
H11C2H12109.5°109.7°
H16N5H17109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23C1O1N1179.7°179.6°
C23C1N1C221.4°179.7°
C23C1N1C2179.7°0.6°
C1C23H1H2120.0°120.0°
C1C23H1H3120.0°120.0°
C1C23H2H3120.0°120.0°
O1C1N1C22178.9°0.0°
O1C1N1C20.6°179.8°
O1C1C23H10.0°89.9°
O1C1C23H2120.0°150.0°
O1C1C23H3120.0°30.1°
C1N1C22C2178.4°179.7°
C1N1C22C21109.5°126.4°
C1N1C2C3109.9°126.4°
N1C1C23H1179.7°89.7°
N1C1C23H259.7°30.3°
N1C1C23H360.3°150.3°
C1N1C22H49.6°6.6°
C1N1C22H5131.3°113.8°
C1N1C2H11130.7°113.8°
C1N1C2H129.5°6.6°
N1C22C21H4119.1°119.8°
N1C22C21H5119.2°119.8°
N1C22C21C461.2°54.6°
C22N1C2C368.6°53.9°
N1C22H4H5122.5°120.3°
N1C22C21H658.9°65.3°
N1C22C21H7178.8°174.6°
C22N1C2H1150.9°65.9°
C22N1C2H12172.0°173.6°
C2N1C22C2168.9°53.8°
N1C2C3H11119.4°119.7°
N1C2C3H12119.4°119.7°
N1C2C3C459.0°54.9°
C2N1C22H4172.0°173.7°
C2N1C22H550.2°65.9°
N1C2C3H9178.9°65.1°
N1C2C3H1061.0°174.7°
N1C2H11H12121.7°120.4°
C22C21C4H6120.0°119.9°
C22C21C4H7120.0°120.0°
C22C21C4C358.1°61.4°
C22C21C4N2176.7°178.6°
C21C22H4H5122.4°120.3°
C22C21H6H7119.9°120.1°
C22C21C4H858.2°58.6°
C21C4C3C256.5°61.5°
C21C4C3N2125.6°120.1°
C21C4C3H8116.4°120.0°
C21C4N2N3103.5°94.6°
C21C4N2H8118.2°120.0°
C21C4N2C779.2°85.0°
C4C21C22H4179.7°174.4°
C4C21C22H558.0°65.2°
C4C21H6H7119.9°120.1°
C21C4C3H9176.4°58.6°
C21C4C3H1063.5°178.7°
C16C17C18H20180.0°179.6°
C17C16C15H21180.0°179.5°
C16C17C18C190.1°0.2°
C17C16C15C11179.2°179.8°
C17C16C15C202.2°0.5°
C16C17C18H19179.9°179.8°
C18C17C16C151.2°0.5°
C17C18C19H19180.0°180.0°
C17C18C19C200.3°0.0°
C17C18C19N6179.8°179.9°
C18C17C16H21178.8°180.0°
C2C3C4H9119.9°120.1°
C2C3C4H10119.9°119.8°
C2C3C4N2177.9°178.5°
C2C3C4H859.9°58.5°
C2C3H9H10120.2°120.1°
C3C2H11H12121.6°120.6°
C3C4N2N320.7°145.3°
C3C4N2H8117.7°119.9°
C3C4N2C7156.7°35.1°
C3C4C21H661.9°58.6°
C3C4C21H7178.2°178.6°
C4C3H9H10120.2°120.1°
C4C3C2H1160.5°64.9°
C4C3C2H12178.4°174.5°
N3C5C6H14180.0°179.7°
C5N3N2C4178.6°179.9°
C5N3N2C70.8°0.4°
N3C5C6C70.3°0.3°
N3C5C6C8179.6°179.8°
N2N3C5C60.6°0.4°
N3N2C4C7177.4°179.7°
N3N2C7C60.6°0.3°
N3N2C4H8138.3°25.3°
N3N2C7H13179.4°179.7°
N2N3C5H14179.4°179.8°
C16C15C11C20177.0°179.7°
C16C15C11C1010.5°49.8°
C16C15C20C192.0°0.3°
C16C15C11O2167.3°129.7°
C16C15C20S178.6°179.7°
C15C16C17H20178.8°180.0°
C18C19C20C150.7°0.0°
C18C19C20N6179.6°179.9°
C18C19C20S179.8°180.0°
C18C19N6N7179.6°180.0°
C19C18C17H20179.9°179.8°
C5C6C7N20.2°0.0°
C5C6C7C8179.9°180.0°
C5C6C8C93.7°50.4°
C5C6C8C14177.5°130.0°
C5C6C7H13179.8°180.0°
C4N2C7C6178.1°180.0°
N2C4C21H663.3°61.5°
N2C4C21H756.7°58.6°
N2C4C3H958.0°61.5°
N2C4C3H1062.2°58.7°
C4N2C7H131.9°0.0°
N2C7C6H13180.0°180.0°
N2C7C6C8179.9°180.0°
C7N2C4H839.0°155.0°
C15C11C10O2178.1°179.6°
C15C11C10C9178.6°180.0°
C11C15C20C19179.1°180.0°
C11C15C20S1.5°0.0°
C15C11O2C12178.5°180.0°
C15C11C10H181.4°0.4°
C11C15C16H210.7°0.3°
C20C15C11C10172.5°130.6°
C15C20C19S179.5°180.0°
C15C20C19N6178.8°180.0°
C20C15C11O29.7°49.9°
C15C20SN7179.2°180.0°
C20C15C16H21177.8°180.0°
C11C10C9H18180.0°179.6°
C11C10C9C8179.4°179.3°
C11C10C9C120.4°0.3°
C10C11O2C120.3°0.5°
C10C9C8C61.1°0.1°
C9C10C11O20.5°0.5°
C10C9C8C12178.9°179.6°
C10C9C8C14179.9°179.8°
C10C9C12O20.2°0.1°
C10C9C12C13179.9°179.7°
C20C19N6N70.9°0.0°
C19C20SN70.2°0.0°
C20C19C18H19179.7°180.0°
N6C19C20S0.6°0.0°
C19N6N7S0.7°0.0°
N6C19C18H190.2°0.1°
C7C6C8C9176.1°129.7°
C7C6C8C142.7°49.9°
C7C6C5H14179.7°180.0°
C6C8C9C14178.8°179.6°
C6C8C9C12180.0°179.8°
C6C8C14N4179.8°180.0°
C8C6C7H130.1°0.1°
C8C6C5H140.4°0.0°
C6C8C14H150.2°0.1°
C11O2C12C90.1°0.2°
C11O2C12C13179.7°180.0°
O2C11C10H18179.6°179.9°
C20SN7N60.2°0.0°
C8C9C12O2179.5°179.7°
C8C9C12C130.8°0.6°
C9C8C14N41.3°0.4°
C9C8C14H15178.7°179.7°
C8C9C10H180.6°0.2°
C12C9C8C141.2°0.6°
C9C12O2C13179.7°179.7°
C9C12C13N40.4°0.3°
C9C12C13N5179.9°179.7°
C12C9C10H18179.6°179.9°
C8C14N4H15180.0°179.9°
C8C14N4C131.0°0.1°
O2C12C13N4179.9°180.0°
O2C12C13N50.2°0.0°
C12C13N4C140.5°0.1°
C12C13N4N5179.7°180.0°
C12C13N5H16179.7°180.0°
C12C13N5H1760.3°0.0°
C14N4C13N5179.8°180.0°
C13N4C14H15179.0°180.0°
N4C13N5H160.0°0.0°
N4C13N5H17120.0°180.0°
C13N5H16H17120.0°180.0°
H1C23H2H3120.0°120.0°
H4C22C21H660.3°54.5°
H4C22C21H759.7°65.6°
H5C22C21H6178.0°174.9°
H5C22C21H762.0°54.8°
H6C21C4H8178.3°178.6°
H7C21C4H861.8°61.4°
H8C4C3H960.0°178.6°
H8C4C3H10179.9°61.3°
H9C3C2H1159.5°175.1°
H9C3C2H1261.7°54.6°
H10C3C2H11179.6°55.0°
H10C3C2H1258.5°65.6°
H19C18C17H200.1°0.2°
H20C17C16H211.2°0.4°

246704

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