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6A9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.43Å1.43Å
O2C2sing1.43Å1.43Å
C1C2sing1.53Å1.53Å
C1Csing1.53Å1.52Å
C2C3sing1.53Å1.55Å
OCsing1.43Å1.43Å
CC15sing1.53Å1.52Å
C3C4sing1.53Å1.53Å
C3Nsing1.47Å1.49Å
C12C13sing1.53Å1.51Å
C12C11sing1.53Å1.52Å
C15Nsing1.47Å1.48Å
C13O4sing1.43Å1.41Å
O4C14sing1.43Å1.42Å
C4O3sing1.43Å1.44Å
NC5sing1.47Å1.48Å
C11C10sing1.53Å1.53Å
C6C5sing1.53Å1.53Å
C6C7sing1.53Å1.52Å
C8C7sing1.53Å1.52Å
C8C9sing1.53Å1.52Å
C10C9sing1.53Å1.53Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C14H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
O3H10sing0.97Å0.95Å
C4H11sing1.09Å1.10Å
C4H12sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C2H14sing1.09Å1.10Å
O2H15sing0.97Å0.95Å
C1H16sing1.09Å1.10Å
O1H17sing0.97Å0.95Å
CH19sing1.09Å1.10Å
OH20sing0.97Å0.95Å
C5H21sing1.09Å1.10Å
C5H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
C6H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C7H26sing1.09Å1.10Å
C8H27sing1.09Å1.10Å
C8H28sing1.09Å1.10Å
C9H29sing1.09Å1.10Å
C9H30sing1.09Å1.10Å
C11H31sing1.09Å1.10Å
C11H32sing1.09Å1.10Å
C13H33sing1.09Å1.10Å
C13H34sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2110.0°109.5°
O1C1C112.1°109.6°
O1C1H16109.0°109.6°
C1O1H17109.5°114.0°
O2C2C1110.4°109.5°
O2C2C3109.7°109.5°
O2C2H14109.3°109.5°
C2O2H15109.5°114.0°
C2C1C110.2°109.1°
C1C2C3111.6°109.3°
C1C2H14108.0°109.5°
C2C1H16107.7°109.5°
C1CO113.8°109.5°
C1CC15110.1°109.3°
CC1H16107.8°109.5°
C1CH19107.2°109.5°
C2C3C4109.3°109.5°
C2C3N110.7°109.5°
C2C3H13107.8°109.5°
C3C2H14107.7°109.5°
OCC15110.0°109.5°
OCH19108.4°109.5°
COH20109.5°114.0°
CC15N110.5°109.5°
CC15H8109.2°109.5°
CC15H9109.2°109.5°
C15CH19107.2°109.5°
C4C3N112.3°109.5°
C3C4O3111.0°109.5°
C3C4H11109.1°109.5°
C3C4H12109.1°109.5°
C4C3H13108.0°109.5°
C3NC15112.9°111.2°
C3NC5115.8°111.0°
NC3H13108.6°109.4°
C13C12C11115.4°109.5°
C12C13O4112.4°109.5°
C13C12H3108.0°109.5°
C13C12H4108.0°109.5°
C12C13H33108.8°109.5°
C12C13H34108.7°109.5°
C12C11C10113.2°109.5°
C11C12H3108.0°109.5°
C11C12H4107.9°109.5°
C12C11H31108.5°109.5°
C12C11H32108.5°109.5°
C15NC5111.1°111.0°
NC15H8109.2°109.5°
NC15H9109.2°109.5°
C13O4C14112.5°114.0°
O4C13H33108.7°109.5°
O4C13H34108.7°109.5°
O4C14H5109.5°109.5°
O4C14H6109.5°109.5°
O4C14H7109.4°109.5°
C4O3H10109.5°114.0°
O3C4H11109.1°109.5°
O3C4H12109.1°109.4°
NC5C6117.0°109.4°
NC5H21107.5°109.4°
NC5H22107.5°109.5°
C11C10C9116.2°109.5°
C11C10H1107.8°109.5°
C11C10H2107.8°109.4°
C10C11H31108.5°109.5°
C10C11H32108.5°109.5°
C5C6C7113.6°109.4°
C6C5H21107.5°109.5°
C6C5H22107.6°109.5°
C5C6H23108.4°109.5°
C5C6H24108.4°109.5°
C6C7C8109.9°109.4°
C7C6H23108.4°109.5°
C7C6H24108.4°109.5°
C6C7H25109.4°109.5°
C6C7H26109.4°109.5°
C7C8C9116.6°109.5°
C8C7H25109.4°109.5°
C8C7H26109.4°109.6°
C7C8H27107.7°109.5°
C7C8H28107.7°109.6°
C8C9C10113.4°109.5°
C9C8H27107.6°109.5°
C9C8H28107.6°109.4°
C8C9H29108.5°109.5°
C8C9H30108.5°109.5°
C9C10H1107.8°109.5°
C9C10H2107.8°109.4°
C10C9H29108.5°109.5°
C10C9H30108.5°109.5°
H1C10H2109.5°109.5°
H3C12H4109.5°109.4°
H5C14H6109.4°109.5°
H5C14H7109.5°109.4°
H6C14H7109.5°109.5°
H8C15H9109.5°109.5°
H11C4H12109.5°109.5°
H21C5H22109.5°109.5°
H23C6H24109.5°109.5°
H25C7H26109.4°109.5°
H27C8H28109.5°109.4°
H29C9H30109.5°109.4°
H31C11H32109.5°109.4°
H33C13H34109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2O259.8°62.5°
O1C1C2C124.1°120.0°
O1C1C2H16118.6°120.2°
O1C1CH16119.9°120.2°
O1C1C2C3178.0°177.6°
O1C1CO56.2°62.4°
O1C1CC15179.9°177.6°
O1C1C2H1459.8°57.7°
O1C1CH1963.6°57.6°
O2C2C1C3122.3°119.9°
O2C2C1H14119.5°120.1°
O2C2C1C176.1°177.6°
O2C2C3H14118.9°120.1°
O2C2C3C460.8°60.8°
O2C2C3N175.0°179.1°
O2C2C3H1356.4°59.2°
O2C2C1H1658.8°57.7°
C2C1CH16117.3°119.8°
C1C2C3H14118.4°119.9°
C2C1CO179.0°177.6°
C2C1CC1557.0°57.7°
C1C2C3C4176.6°179.2°
C1C2C3N52.3°59.2°
C1C2C3H1366.3°60.8°
C1C2O2H15180.0°60.2°
C2C1O1H17180.0°180.0°
C2C1CH1959.2°62.3°
CC1C2C353.9°57.6°
C1COC15124.0°119.9°
C1COH19119.1°120.0°
C1CC15H19116.2°119.9°
C1CC15N59.2°59.2°
C1CC15H8179.3°60.8°
C1CC15H961.0°179.2°
CC1C2H1464.3°62.3°
CC1O1H1757.0°60.3°
C1COH20180.0°180.0°
C2C3C4N123.2°120.1°
C2C3C4H13117.0°120.0°
C2C3NH13118.1°120.0°
C2C3NC1555.0°61.7°
C2C3C4O373.0°56.7°
C2C3NC5175.3°174.2°
C2C3C4H11166.8°63.4°
C2C3C4H1247.2°176.6°
C3C2O2H1556.6°180.0°
C3C2C1H1663.4°62.2°
OCC15H19117.6°120.1°
OCC15N174.7°179.1°
OCC15H854.5°59.1°
OCC15H965.2°60.8°
OCC1H1663.7°57.8°
CC15NC358.9°61.7°
CC15NH8120.2°120.0°
CC15NH9120.1°120.0°
CC15NC5169.1°174.2°
CC15H8H9119.5°120.0°
C15CC1H1660.2°62.2°
C15COH2056.0°60.2°
C4C3NH13119.4°119.9°
C4C3NC15177.5°178.2°
C3C4O3H11120.2°120.0°
C3C4O3H12120.2°120.0°
C4C3NC552.9°54.1°
C3C4O3H10180.0°180.0°
C3C4H11H12119.3°120.0°
C4C3C2H1458.2°59.3°
C3NC15C5132.0°124.1°
NC3C4O350.3°63.4°
C3NC5C656.9°171.0°
C3NC15H8179.1°58.3°
C3NC15H961.2°178.3°
NC3C4H1170.0°176.6°
NC3C4H12170.5°56.6°
NC3C2H1466.1°60.8°
C3NC5H2164.2°69.1°
C3NC5H22178.0°51.0°
C13C12C11H3120.9°120.0°
C13C12C11H4120.9°120.0°
C12C13O4H33120.5°120.0°
C12C13O4H34120.4°120.0°
C12C13O4C14169.1°180.0°
C13C12C11C10133.2°180.0°
C13C12H3H4117.3°120.0°
C13C12C11H31106.3°60.0°
C13C12C11H3212.6°60.0°
C12C13H33H34118.7°120.0°
C11C12C13O463.6°180.0°
C12C11C10H31120.5°120.0°
C12C11C10H32120.5°120.0°
C12C11C10C9166.5°NaN°
C12C11C10H172.5°60.0°
C12C11C10H245.5°60.0°
C11C12H3H4117.3°120.0°
C12C11H31H32118.3°120.0°
C11C12C13H33176.0°60.0°
C11C12C13H3456.8°60.0°
C15NC5C673.6°64.8°
NC15H8H9119.5°120.0°
C15NC3H1363.1°58.3°
NC15CH1957.1°60.8°
C15NC5H21165.3°55.2°
C15NC5H2247.5°175.2°
O4C13C12H3175.5°60.0°
O4C13C12H457.3°60.0°
C13O4C14H5180.0°60.0°
C13O4C14H660.0°60.0°
C13O4C14H760.0°180.0°
O4C13H33H34118.7°120.0°
O4C14H5H6120.0°120.1°
O4C14H5H7120.0°120.0°
O4C14H6H7120.0°120.0°
C14O4C13H3348.6°60.0°
C14O4C13H3470.5°60.0°
O3C4H11H12119.3°119.9°
O3C4C3H13170.0°176.7°
NC5C6H21121.1°120.0°
NC5C6H22121.1°120.0°
NC5C6C7178.7°180.0°
C5NC15H848.9°65.8°
C5NC15H970.8°54.2°
C5NC3H1366.6°65.8°
NC5H21H22116.6°120.0°
NC5C6H2358.1°60.0°
NC5C6H2460.7°60.0°
C11C10C9C875.6°180.0°
C11C10C9H1121.0°120.0°
C11C10C9H2121.0°120.0°
C11C10H1H2116.9°120.0°
C10C11C12H312.3°60.0°
C10C11C12H4106.0°60.0°
C11C10C9H29163.8°60.0°
C11C10C9H3045.0°59.9°
C10C11H31H32118.3°120.0°
C5C6C7H23120.6°120.0°
C5C6C7H24120.6°120.0°
C5C6C7C8167.2°180.0°
C6C5H21H22116.6°120.0°
C5C6H23H24118.2°120.0°
C5C6C7H2572.7°60.0°
C5C6C7H2647.2°60.0°
C6C7C8H25120.1°119.9°
C6C7C8H26120.1°120.0°
C6C7C8C9176.4°180.0°
C7C6C5H2160.2°60.0°
C7C6C5H2257.6°60.0°
C7C6H23H24118.1°120.0°
C6C7H25H26119.8°120.0°
C6C7C8H2762.6°60.0°
C6C7C8H2855.4°60.0°
C7C8C9H27121.0°120.0°
C7C8C9H28121.0°120.1°
C7C8C9C10178.9°180.0°
C8C7C6H2346.6°60.0°
C8C7C6H2472.2°60.0°
C8C7H25H26119.8°120.1°
C7C8H27H28116.8°120.1°
C7C8C9H2958.3°60.0°
C7C8C9H3060.5°60.0°
C8C9C10H29120.6°120.0°
C8C9C10H30120.6°120.0°
C8C9C10H1163.4°60.0°
C8C9C10H245.4°60.0°
C9C8C7H2556.4°60.1°
C9C8C7H2663.5°60.0°
C9C8H27H28116.7°119.9°
C8C9H29H30118.2°120.0°
C9C10H1H2117.0°120.0°
C10C9C8H2760.1°60.0°
C10C9C8H2857.9°60.0°
C10C9H29H30118.2°120.0°
C9C10C11H3146.0°60.0°
C9C10C11H3272.9°60.0°
H1C10C9H2942.9°60.0°
H1C10C9H3075.9°180.0°
H1C10C11H31167.0°180.0°
H1C10C11H3248.0°60.0°
H2C10C9H2975.2°180.0°
H2C10C9H30166.0°60.0°
H2C10C11H3175.0°60.0°
H2C10C11H32166.1°180.0°
H3C12C11H31132.9°180.0°
H3C12C11H32108.2°60.0°
H3C12C13H3355.1°180.0°
H3C12C13H3464.1°60.1°
H4C12C11H3114.6°60.0°
H4C12C11H32133.5°180.0°
H4C12C13H3363.2°60.1°
H4C12C13H34177.7°180.0°
H5C14H6H7120.0°119.9°
H8C15CH1963.1°179.2°
H9C15CH19177.2°59.2°
H10O3C4H1159.8°60.0°
H10O3C4H1259.8°60.0°
H11C4C3H1349.8°56.7°
H12C4C3H1369.8°63.3°
H13C3C2H14175.3°179.3°
H14C2O2H1561.3°60.0°
H14C2C1H16178.4°177.9°
H16C1O1H1762.1°59.9°
H16C1CH19176.5°177.8°
H19COH2060.9°60.0°
H21C5C6H23179.2°179.9°
H21C5C6H2460.4°59.9°
H22C5C6H2363.0°60.0°
H22C5C6H24178.2°180.0°
H23C6C7H25166.7°180.0°
H23C6C7H2673.4°60.0°
H24C6C7H2547.9°59.9°
H24C6C7H26167.8°179.9°
H25C7C8H27177.4°180.0°
H25C7C8H2864.7°59.9°
H26C7C8H2757.5°60.0°
H26C7C8H28175.5°180.0°
H27C8C9H29179.3°60.1°
H27C8C9H3060.5°180.0°
H28C8C9H2962.7°180.0°
H28C8C9H30178.5°60.1°

246905

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