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JT7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O02B28sing1.42Å1.64Å
B28O03sing1.42Å1.67Å
B28C04sing1.57Å1.67Å
C08C06sing1.53Å1.52Å
C06C05sing1.53Å1.57Å
C06C07sing1.53Å1.49Å
C05C04sing1.53Å1.54Å
C04N09sing1.46Å1.41Å
N09C10sing1.35Å1.39Å
C10O11doub1.21Å1.22Å
C10C12sing1.51Å1.56Å
C16C14sing1.53Å1.54Å
C13C12sing1.53Å1.49Å
C13C14sing1.53Å1.56Å
C12N17sing1.46Å1.42Å
C14C15sing1.53Å1.54Å
O19C18doub1.22Å1.19Å
N17C18sing1.35Å1.42Å
C18C20sing1.48Å1.53Å
C20C21doub1.40Å1.41ÅAromatic
C20C25sing1.40Å1.36ÅAromatic
CL01C25sing1.74Å1.80Å
C21C22sing1.38Å1.41ÅAromatic
C25C24doub1.38Å1.40ÅAromatic
C22C23doub1.39Å1.42ÅAromatic
C24C23sing1.39Å1.39ÅAromatic
C23O26sing1.36Å1.44Å
O26C27sing1.43Å1.44Å
O02H1sing0.97Å0.95Å
O03H2sing0.97Å0.95Å
C04H3sing1.09Å1.10Å
C05H4sing1.09Å1.10Å
C05H5sing1.09Å1.10Å
C06H6sing1.09Å1.10Å
C07H7sing1.09Å1.10Å
C07H8sing1.09Å1.10Å
C07H9sing1.09Å1.10Å
C08H10sing1.09Å1.10Å
C08H11sing1.09Å1.10Å
C08H12sing1.09Å1.10Å
N09H13sing0.97Å1.00Å
C12H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C16H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
N17H24sing0.97Å1.00Å
C21H25sing1.08Å1.08Å
C22H26sing1.08Å1.08Å
C24H27sing1.08Å1.08Å
C27H28sing1.09Å1.10Å
C27H29sing1.09Å1.10Å
C27H30sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O02B28O03128.2°120.0°
O02B28C04105.7°120.0°
B28O02H1109.5°114.0°
O03B28C04116.3°120.0°
B28O03H2109.5°114.0°
B28C04C05123.0°109.4°
B28C04N0997.5°109.5°
B28C04H3106.7°109.5°
C08C06C05111.6°109.5°
C08C06C07106.9°109.5°
C08C06H6108.9°109.5°
C06C08H10109.5°109.5°
C06C08H11109.5°109.4°
C06C08H12109.5°109.5°
C05C06C07111.8°109.5°
C06C05C04112.5°109.5°
C06C05H4108.7°109.5°
C06C05H5108.7°109.5°
C05C06H6108.3°109.4°
C07C06H6109.3°109.5°
C06C07H7109.5°109.5°
C06C07H8109.5°109.5°
C06C07H9109.5°109.5°
C05C04N09110.8°109.5°
C05C04H3108.2°109.5°
C04C05H4108.7°109.4°
C04C05H5108.7°109.5°
C04N09C10122.0°120.0°
N09C04H3109.8°109.5°
C04N09H13119.0°120.0°
N09C10O11118.5°120.0°
N09C10C12118.9°120.0°
C10N09H13119.0°120.0°
O11C10C12122.6°120.0°
C10C12C13105.6°109.5°
C10C12N17107.0°109.5°
C10C12H14110.1°109.5°
C16C14C13112.6°109.5°
C16C14C15103.3°109.5°
C16C14H17111.7°109.4°
C14C16H21109.5°109.4°
C14C16H22109.5°109.5°
C14C16H23109.5°109.5°
C12C13C14109.1°109.5°
C13C12N17110.7°109.4°
C13C12H14111.1°109.5°
C12C13H15109.6°109.5°
C12C13H16109.6°109.4°
C13C14C15105.8°109.5°
C14C13H15109.6°109.4°
C14C13H16109.6°109.5°
C13C14H17111.4°109.5°
C12N17C18125.3°120.0°
N17C12H14112.2°109.5°
C12N17H24117.3°120.0°
C15C14H17111.6°109.5°
C14C15H18109.5°109.5°
C14C15H19109.5°109.5°
C14C15H20109.5°109.5°
O19C18N17121.2°120.0°
O19C18C20121.4°119.9°
N17C18C20117.5°120.0°
C18N17H24117.4°120.0°
C18C20C21123.0°120.1°
C18C20C25115.0°120.2°
C21C20C25121.8°119.8°
C20C21C22119.2°119.9°
C20C21H25120.4°120.0°
C20C25CL01118.9°120.0°
C20C25C24118.5°119.9°
CL01C25C24122.6°120.1°
C21C22C23119.7°120.1°
C22C21H25120.4°120.1°
C21C22H26120.2°120.0°
C25C24C23122.5°120.1°
C25C24H27118.7°120.0°
C22C23C24118.2°120.2°
C22C23O26122.8°119.9°
C23C22H26120.2°119.9°
C24C23O26119.0°119.9°
C23C24H27118.7°120.0°
C23O26C27125.3°117.0°
O26C27H28109.5°109.5°
O26C27H29109.5°109.5°
O26C27H30109.5°109.4°
H4C05H5109.5°109.5°
H7C07H8109.5°109.4°
H7C07H9109.5°109.5°
H8C07H9109.4°109.5°
H10C08H11109.5°109.5°
H10C08H12109.4°109.5°
H11C08H12109.4°109.5°
H15C13H16109.5°109.5°
H18C15H19109.5°109.4°
H18C15H20109.5°109.5°
H19C15H20109.4°109.5°
H21C16H22109.5°109.5°
H21C16H23109.4°109.5°
H22C16H23109.5°109.5°
H28C27H29109.4°109.5°
H28C27H30109.5°109.5°
H29C27H30109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O02B28O03C04140.5°179.9°
O02B28C04C0552.7°90.0°
O02B28C04N0968.2°150.0°
O02B28O03H2180.0°180.0°
O02B28C04H3178.4°29.9°
O03B28C04C05158.6°90.0°
O03B28C04N0980.5°29.9°
O03B28O02H1180.0°180.0°
O03B28C04H332.9°150.0°
B28C04C05C0670.0°60.0°
B28C04C05N09114.4°120.0°
B28C04C05H3125.1°120.0°
B28C04N09H3110.8°120.0°
B28C04N09C10137.5°105.0°
C04B28O02H136.4°0.1°
C04B28O03H239.5°0.0°
B28C04C05H450.5°180.0°
B28C04C05H5169.5°60.0°
B28C04N09H1342.5°75.0°
C08C06C05C07119.7°120.0°
C08C06C05H6119.9°120.0°
C08C06C07H6117.8°120.0°
C08C06C05C04160.8°175.0°
C08C06C05H440.4°65.0°
C08C06C05H578.7°55.0°
C08C06C07H7180.0°60.0°
C08C06C07H860.0°60.0°
C08C06C07H960.0°180.0°
C06C08H10H11120.0°120.0°
C06C08H10H12120.0°120.0°
C06C08H11H12120.0°120.0°
C05C06C07H6119.8°120.0°
C06C05C04H4120.5°120.0°
C06C05C04H5120.5°120.0°
C06C05C04N09175.6°180.0°
C06C05C04H355.1°60.0°
C06C05H4H5118.6°120.0°
C05C06C07H757.6°60.0°
C05C06C07H862.4°180.0°
C05C06C07H9177.6°60.0°
C05C06C08H10180.0°60.0°
C05C06C08H1160.0°180.0°
C05C06C08H1260.0°60.0°
C07C06C05C0479.5°65.0°
C07C06C05H4160.0°55.0°
C07C06C05H541.0°175.0°
C06C07H7H8120.0°120.0°
C06C07H7H9120.0°120.0°
C06C07H8H9120.0°120.0°
C07C06C08H1057.5°180.0°
C07C06C08H1162.5°60.0°
C07C06C08H12177.5°60.0°
C05C04N09H3119.5°120.0°
C05C04N09C1092.8°135.0°
C04C05H4H5118.6°120.0°
C04C05C06H640.9°55.0°
C05C04N09H1387.2°45.0°
C04N09C10H13180.0°180.0°
C04N09C10O112.6°0.0°
C04N09C10C12177.5°180.0°
N09C04C05H463.9°60.0°
N09C04C05H555.1°60.0°
N09C10O11C12179.9°180.0°
N09C10C12C1390.1°60.0°
N09C10C12N17151.9°180.0°
C10N09C04H326.7°15.0°
N09C10C12H1429.8°60.0°
O11C10C12C1389.9°120.0°
O11C10C12N1728.0°0.1°
O11C10N09H13177.4°180.0°
O11C10C12H14150.1°120.0°
C10C12C13N17115.5°120.0°
C10C12C13H14119.3°120.0°
C10C12C13C14172.1°175.0°
C10C12N17H14120.8°120.0°
C10C12N17C18109.3°155.0°
C12C10N09H132.5°0.0°
C10C12C13H1568.0°65.0°
C10C12C13H1652.1°55.0°
C10C12N17H2470.6°24.9°
C16C14C13C1274.7°65.0°
C16C14C13C15112.1°120.0°
C16C14C13H17126.3°119.9°
C16C14C15H17120.1°120.0°
C16C14C13H15165.4°175.0°
C16C14C13H1645.3°55.0°
C16C14C15H18180.0°60.0°
C16C14C15H1960.0°60.0°
C16C14C15H2060.0°180.0°
C14C16H21H22120.0°120.0°
C14C16H21H23120.0°120.0°
C14C16H22H23120.0°120.0°
C12C13C14H15119.9°120.0°
C12C13C14H16119.9°120.0°
C13C12N17H14124.6°120.0°
C12C13C14C15173.2°175.0°
C13C12N17C18136.1°85.1°
C12C13H15H16120.2°120.0°
C12C13C14H1751.6°55.0°
C13C12N17H2443.9°95.0°
C14C13C12N1772.4°65.0°
C13C14C15H17121.4°120.0°
C14C13C12H1452.8°55.0°
C14C13H15H16120.2°120.0°
C13C14C15H1861.5°60.0°
C13C14C15H1958.5°180.0°
C13C14C15H20178.5°60.0°
C13C14C16H21180.0°60.0°
C13C14C16H2260.0°60.0°
C13C14C16H2360.0°180.0°
C12N17C18O193.2°0.1°
C12N17C18H24180.0°179.9°
C12N17C18C20175.9°180.0°
N17C12C13H1547.5°55.0°
N17C12C13H16167.6°174.9°
C15C14C13H1553.2°55.0°
C15C14C13H1666.9°65.0°
C14C15H18H19120.0°120.0°
C14C15H18H20120.0°120.0°
C14C15H19H20120.0°120.0°
C15C14C16H2166.3°60.0°
C15C14C16H2253.7°180.0°
C15C14C16H23173.7°60.0°
O19C18N17C20179.1°179.9°
O19C18C20C2160.0°180.0°
O19C18C20C25123.5°0.2°
O19C18N17H24176.8°180.0°
N17C18C20C21119.1°0.1°
N17C18C20C2557.4°179.7°
C18N17C12H1411.5°34.9°
C18C20C21C25176.3°179.7°
C18C20C25CL013.2°0.0°
C18C20C21C22179.7°180.0°
C18C20C25C24178.4°179.7°
C20C18N17H244.1°0.1°
C18C20C21H250.3°0.0°
C21C20C25CL01179.7°179.7°
C20C21C22H25180.0°180.0°
C21C20C25C241.9°0.6°
C20C21C22C234.2°0.1°
C20C21C22H26175.8°179.9°
C20C25CL01C24178.4°179.7°
C25C20C21C223.5°0.2°
C20C25C24C231.1°0.6°
C25C20C21H25176.6°179.8°
C20C25C24H27178.9°179.7°
CL01C25C24C23179.5°179.7°
CL01C25C24H270.5°0.0°
C21C22C23H26180.0°179.9°
C21C22C23C243.4°0.0°
C21C22C23O26180.0°180.0°
C25C24C23C221.9°0.3°
C25C24C23H27180.0°179.7°
C25C24C23O26178.6°179.7°
C22C23C24O26176.7°180.0°
C22C23O26C27165.6°180.0°
C23C22C21H25175.8°179.9°
C22C23C24H27178.1°180.0°
C24C23O26C2717.9°0.0°
C24C23C22H26176.6°179.9°
O26C23C22H260.0°0.1°
O26C23C24H271.4°0.0°
C23O26C27H28180.0°60.0°
C23O26C27H2960.0°180.0°
C23O26C27H3060.0°60.1°
O26C27H28H29120.0°120.0°
O26C27H28H30120.0°120.0°
O26C27H29H30120.0°120.0°
H3C04C05H4175.6°60.0°
H3C04C05H565.4°NaN°
H3C04N09H13153.3°165.0°
H4C05C06H679.5°175.0°
H5C05C06H6161.4°65.0°
H6C06C07H762.2°180.0°
H6C06C07H8177.7°60.0°
H6C06C07H957.8°60.0°
H6C06C08H1060.5°60.0°
H6C06C08H11179.5°60.0°
H6C06C08H1259.5°180.0°
H7C07H8H9120.0°120.0°
H10C08H11H12120.0°120.0°
H14C12C13H15172.7°175.0°
H14C12C13H1667.1°65.0°
H14C12N17H24168.5°144.9°
H15C13C14H1768.3°65.0°
H16C13C14H17171.6°175.0°
H17C14C15H1859.9°180.0°
H17C14C15H19179.9°60.0°
H17C14C15H2060.1°60.0°
H17C14C16H2153.8°180.0°
H17C14C16H22173.8°60.0°
H17C14C16H2366.2°60.0°
H18C15H19H20120.0°120.0°
H21C16H22H23120.0°120.0°
H25C21C22H264.2°0.1°
H28C27H29H30120.0°120.0°

225946

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