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MXR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26N23sing1.46Å1.46Å
O12C11doub1.21Å1.26Å
C25N23sing1.47Å1.48Å
O13C11sing1.35Å1.25Å
N23C22sing1.35Å1.42Å
C11C5sing1.48Å1.56Å
C22C17sing1.51Å1.54Å
C22O24doub1.21Å1.22Å
C17C16sing1.54Å1.56Å
C17N19sing1.48Å1.44Å
C5N10doub1.27Å1.40Å
C5C2sing1.51Å1.49Å
N10C4sing1.47Å1.46Å
C16C15sing1.55Å1.53Å
N19C21sing1.49Å1.46Å
C2S14sing1.81Å1.86Å
C2C18sing1.55Å1.53Å
O6C1doub1.21Å1.39Å
S14C15sing1.81Å1.84Å
C1C3sing1.51Å1.51Å
C15C21sing1.55Å1.54Å
C4C18sing1.55Å1.61Å
C4C3sing1.53Å1.54Å
C18C20sing1.53Å1.52Å
C3C7sing1.53Å1.54Å
C7C9sing1.53Å1.53Å
C7O8sing1.43Å1.40Å
C1H1sing1.08Å1.08Å
C2H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
O8H9sing0.97Å0.95Å
C9H10sing1.09Å1.10Å
C9H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
O13H15sing0.97Å0.95Å
C15H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
N19H21sing1.01Å1.00Å
C20H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
C20H25sing1.09Å1.10Å
C21H26sing1.09Å1.10Å
C21H27sing1.09Å1.10Å
C25H28sing1.09Å1.10Å
C25H29sing1.09Å1.10Å
C25H30sing1.09Å1.10Å
C26H31sing1.09Å1.10Å
C26H32sing1.09Å1.10Å
C26H33sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C26N23C25117.1°120.0°
C26N23C22123.6°120.0°
N23C26H31109.5°109.5°
N23C26H32109.5°109.5°
N23C26H33109.5°109.5°
O12C11O13126.7°120.0°
O12C11C5117.8°120.0°
C25N23C22119.4°120.0°
N23C25H28109.5°109.4°
N23C25H29109.5°109.5°
N23C25H30109.5°109.5°
O13C11C5115.5°120.0°
C11O13H15109.5°117.0°
N23C22C17118.1°120.0°
N23C22O24120.3°120.0°
C11C5N10122.4°124.4°
C11C5C2122.8°124.4°
C17C22O24121.6°120.0°
C22C17C16108.9°109.9°
C22C17N19114.5°109.9°
C22C17H19109.7°110.1°
C16C17N19102.9°107.1°
C17C16C15107.0°105.1°
C17C16H17110.1°110.3°
C17C16H18110.1°110.4°
C16C17H19109.4°109.9°
C17N19C21110.1°105.8°
N19C17H19111.0°109.9°
C17N19H21109.3°111.1°
N10C5C2114.7°111.2°
C5N10C4109.2°112.6°
C5C2S14111.2°110.6°
C5C2C18100.1°103.8°
C5C2H3114.0°110.7°
N10C4C18102.4°105.1°
N10C4C3111.9°110.4°
N10C4H5110.8°110.4°
C16C15S14109.3°110.7°
C16C15C21104.5°102.9°
C16C15H16111.7°110.9°
C15C16H17110.1°110.3°
C15C16H18110.1°110.3°
N19C21C15103.7°103.2°
C21N19H21109.3°111.0°
N19C21H26110.9°110.7°
N19C21H27110.9°110.7°
S14C2C18108.9°110.6°
C2S14C15106.2°103.0°
S14C2H3109.0°110.5°
C2C18C4105.6°100.8°
C2C18C20109.0°111.1°
C18C2H3113.4°110.6°
C2C18H20111.0°111.1°
O6C1C3113.2°120.0°
O6C1H1123.4°120.0°
S14C15C21112.0°110.7°
S14C15H16107.9°110.7°
C1C3C4110.8°109.5°
C1C3C7112.8°109.5°
C3C1H1123.4°120.0°
C1C3H4106.9°109.5°
C21C15H16111.5°110.8°
C15C21H26110.9°110.7°
C15C21H27110.9°110.6°
C18C4C3113.1°110.3°
C4C18C20110.0°111.2°
C18C4H5108.8°110.3°
C4C18H20110.0°111.2°
C4C3C7112.7°109.5°
C4C3H4106.6°109.5°
C3C4H5109.7°110.3°
C20C18H20111.2°111.0°
C18C20H23109.5°109.5°
C18C20H24109.4°109.4°
C18C20H25109.4°109.5°
C3C7C9111.8°109.5°
C3C7O8106.2°109.4°
C7C3H4106.6°109.4°
C3C7H8108.9°109.4°
C9C7O8110.1°109.5°
C9C7H8109.0°109.5°
C7C9H10109.5°109.4°
C7C9H11109.4°109.5°
C7C9H12109.5°109.5°
O8C7H8110.8°109.5°
C7O8H9109.5°114.0°
H10C9H11109.4°109.5°
H10C9H12109.5°109.4°
H11C9H12109.5°109.5°
H17C16H18109.5°110.3°
H23C20H24109.5°109.5°
H23C20H25109.5°109.5°
H24C20H25109.5°109.4°
H26C21H27109.4°110.7°
H28C25H29109.4°109.4°
H28C25H30109.5°109.5°
H29C25H30109.5°109.5°
H31C26H32109.5°109.5°
H31C26H33109.4°109.4°
H32C26H33109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C26N23C25C22179.8°179.9°
C26N23C22C170.4°0.0°
C26N23C22O24179.8°180.0°
C26N23C25H28180.0°90.0°
C26N23C25H2960.0°29.9°
C26N23C25H3060.0°150.0°
N23C26H31H32120.0°120.1°
N23C26H31H33120.0°120.0°
N23C26H32H33120.0°120.0°
O12C11O13C5179.4°180.0°
O12C11C5N1011.9°180.0°
O12C11C5C2168.6°0.0°
O12C11O13H150.0°0.0°
C25N23C22C17179.8°180.0°
C25N23C22O240.4°0.0°
N23C25H28H29120.0°120.0°
N23C25H28H30120.0°120.0°
N23C25H29H30120.0°120.0°
C25N23C26H31180.0°90.0°
C25N23C26H3260.0°30.1°
C25N23C26H3360.0°150.0°
O13C11C5N10168.7°0.0°
O13C11C5C210.9°180.0°
N23C22C17O24179.4°180.0°
N23C22C17C1688.8°80.0°
N23C22C17N19156.5°162.4°
N23C22C17H1930.9°41.2°
C22N23C25H280.2°90.0°
C22N23C25H29120.2°150.0°
C22N23C25H30119.8°30.0°
C22N23C26H310.2°89.9°
C22N23C26H32119.8°150.0°
C22N23C26H33120.2°30.0°
C11C5N10C2179.6°180.0°
C11C5N10C4179.6°179.9°
C11C5C2S1482.2°77.3°
C11C5C2C18162.8°164.1°
C11C5C2H341.5°45.4°
C5C11O13H15179.4°180.0°
C22C17C16N19122.0°119.3°
C22C17C16H19120.0°121.3°
C22C17N19H19124.9°121.3°
C22C17C16C15135.6°120.6°
C22C17N19C21149.3°144.7°
C22C17C16H17104.8°1.7°
C22C17C16H1816.0°120.5°
C22C17N19H2129.2°24.2°
O24C22C17C1690.5°100.0°
O24C22C17N1924.1°17.6°
O24C22C17H19149.7°138.8°
C16C17N19H19117.0°119.4°
C17C16C15H17119.6°118.9°
C17C16C15H18119.6°119.0°
C16C17N19C2131.2°25.4°
C17C16C15S14126.9°140.3°
C17C16C15C216.9°22.0°
C17C16C15H16113.8°96.5°
C17C16H17H18121.2°122.2°
C16C17N19H2188.9°95.2°
N19C17C16C1513.6°1.2°
C17N19C21H21120.1°120.6°
C17N19C21C1536.2°39.3°
N19C17C16H17133.2°117.6°
N19C17C16H18106.0°120.2°
C17N19C21H26155.3°79.2°
C17N19C21H2782.9°157.6°
N10C5C2S1498.1°102.7°
N10C5C2C1816.8°15.9°
C5N10C4C1817.3°16.2°
C5N10C4C3138.7°135.1°
N10C5C2H3138.1°134.6°
C5N10C4H598.6°102.7°
C2C5N10C40.7°0.1°
C5C2S14C18109.3°114.4°
C5C2S14H3126.5°122.9°
C5C2C18H3121.8°118.7°
C5C2S14C15134.1°70.6°
C5C2C18C425.9°23.5°
C5C2C18C2092.1°94.4°
C5C2C18H20145.1°141.5°
N10C4C18C227.5°23.9°
N10C4C3C150.1°47.6°
N10C4C18C3120.6°118.9°
N10C4C18H5117.3°119.0°
N10C4C3H5123.4°122.3°
N10C4C18C2089.9°93.9°
N10C4C3C7177.5°72.3°
N10C4C3H465.8°167.7°
N10C4C18H20147.3°141.9°
C16C15C21N1924.9°37.5°
C16C15S14C258.3°180.0°
C16C15S14C21115.3°113.5°
C16C15S14H16121.6°123.4°
C16C15C21H16120.8°118.6°
C15C16H17H18121.1°122.1°
C15C16C17H19104.5°118.1°
C16C15C21H26144.0°81.0°
C16C15C21H2794.2°155.9°
N19C21C15S14143.1°155.8°
N19C21C15H26119.1°118.5°
N19C21C15H27119.1°118.4°
N19C21C15H1695.9°81.1°
C21N19C17H1985.8°94.0°
N19C21H26H27122.7°123.1°
S14C2C18H3121.6°122.7°
C2S14C15C21173.6°66.5°
S14C2C18C490.7°95.1°
S14C2C18C20151.2°147.1°
C2S14C15H1663.3°56.7°
S14C2C18H2028.5°22.9°
C18C2S14C15116.5°175.0°
C2C18C4C20117.4°117.9°
C2C18C4H20119.8°117.9°
C2C18C4C3148.1°142.9°
C2C18C20H20122.6°124.2°
C2C18C4H589.8°95.0°
C2C18C20H23180.0°68.0°
C2C18C20H2460.0°171.9°
C2C18C20H2560.0°52.0°
O6C1C3H1180.0°179.7°
O6C1C3C446.0°120.3°
O6C1C3C781.4°119.7°
O6C1C3H4161.7°0.3°
S14C15C21H16121.0°123.1°
C15S14C2H37.6°52.3°
S14C15C16H177.3°100.8°
S14C15C16H18113.5°21.3°
S14C15C21H2697.8°37.3°
S14C15C21H2724.0°85.8°
C1C3C4C18165.2°68.0°
C1C3C4C7127.4°120.0°
C1C3C4H4115.9°120.0°
C1C3C7H4117.0°120.0°
C1C3C7C968.6°60.0°
C1C3C7O851.5°180.0°
C1C3C4H573.3°169.9°
C1C3C7H8170.9°60.0°
C21C15C16H17112.7°140.9°
C21C15C16H18126.6°97.0°
C15C21N19H2183.9°81.3°
C15C21H26H27122.7°123.1°
C18C4C3H5121.6°122.1°
C4C18C20H20122.1°124.3°
C18C4C3C767.4°172.0°
C4C18C2H3147.7°142.2°
C18C4C3H449.2°52.0°
C4C18C20H2364.7°179.5°
C4C18C20H2455.3°60.5°
C4C18C20H25175.3°59.4°
C3C4C18C2030.7°25.0°
C4C3C7H4116.7°120.0°
C4C3C7C957.8°180.0°
C4C3C7O8177.9°60.0°
C4C3C1H1134.0°60.0°
C4C3C7H862.7°60.0°
C3C4C18H2092.1°99.2°
C20C18C2H329.7°24.3°
C20C18C4H5152.8°147.1°
C18C20H23H24120.0°120.0°
C18C20H23H25120.0°120.0°
C18C20H24H25120.0°120.0°
C3C7C9O8117.8°120.0°
C3C7C9H8120.5°120.0°
C3C7O8H8118.2°119.9°
C7C3C1H198.5°60.0°
C7C3C4H554.1°49.9°
C3C7O8H9180.0°60.0°
C3C7C9H10180.0°60.0°
C3C7C9H1160.0°180.0°
C3C7C9H1260.0°59.9°
C9C7O8H8120.6°120.0°
C9C7C3H4174.4°60.0°
C9C7O8H958.8°60.0°
C7C9H10H11120.0°120.0°
C7C9H10H12120.0°120.0°
C7C9H11H12120.0°120.1°
O8C7C3H465.4°60.0°
O8C7C9H1062.2°60.0°
O8C7C9H11177.8°60.0°
O8C7C9H1257.8°180.0°
H1C1C3H418.3°180.0°
H3C2C18H2093.1°99.8°
H4C3C4H5170.8°70.1°
H4C3C7H854.0°180.0°
H5C4C18H2030.0°22.9°
H8C7O8H961.8°180.0°
H8C7C9H1059.5°180.0°
H8C7C9H1160.4°60.0°
H8C7C9H12179.6°60.0°
H10C9H11H12120.0°120.0°
H16C15C16H17126.6°22.4°
H16C15C16H185.8°144.5°
H16C15C21H2623.2°160.4°
H16C15C21H27145.0°37.3°
H17C16C17H1915.1°123.0°
H18C16C17H19135.9°0.8°
H19C17N19H21154.1°145.4°
H20C18C20H2357.4°56.2°
H20C18C20H24177.4°63.8°
H20C18C20H2562.7°176.2°
H21N19C21H2635.2°160.2°
H21N19C21H27157.0°37.1°
H23C20H24H25120.0°120.0°
H28C25H29H30120.0°120.0°
H31C26H32H33120.0°119.9°

246704

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