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NL0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.54Å
F12C1Nsing1.40Å1.35Å
C1C1Fsing1.51Å1.54Å
C1Nsing1.46Å1.45Å
C1MC1Ksing1.51Å1.53Å
C1FC1Kdoub1.38Å1.42ÅAromatic
C1FC1Gsing1.38Å1.40ÅAromatic
C1KC1Lsing1.38Å1.42ÅAromatic
C1GC1Hdoub1.38Å1.38ÅAromatic
C1LC1Nsing1.51Å1.55Å
C1LC1Idoub1.38Å1.40ÅAromatic
C1NF1sing1.40Å1.35Å
C1NFsing1.40Å1.35Å
C1HC1Ising1.38Å1.38ÅAromatic
NC12sing1.39Å1.38Å
N1C12doub1.32Å1.32ÅAromatic
N1N12sing1.28Å1.36ÅAromatic
C12C1Asing1.42Å1.43ÅAromatic
N12C13doub1.31Å1.31ÅAromatic
C1AC19doub1.40Å1.42ÅAromatic
C1AC15sing1.42Å1.41ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C13C15sing1.41Å1.42ÅAromatic
C13C14sing1.51Å1.51Å
C1CC1Bsing1.53Å1.55Å
C1CN14sing1.47Å1.49Å
C15C16doub1.40Å1.42ÅAromatic
C1BN13sing1.47Å1.49Å
C18N13sing1.40Å1.41Å
C18C17doub1.40Å1.42ÅAromatic
N13C1Esing1.47Å1.49Å
C16C17sing1.36Å1.38ÅAromatic
N14C1Dsing1.47Å1.49Å
C1DC1Esing1.53Å1.55Å
C1H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C14H4sing1.09Å1.10Å
C17H5sing1.08Å1.08Å
C19H6sing1.08Å1.08Å
NH7sing0.97Å1.00Å
CH8sing1.09Å1.10Å
CH9sing1.09Å1.10Å
CH10sing1.09Å1.10Å
C16H11sing1.08Å1.08Å
C1BH12sing1.09Å1.10Å
C1BH13sing1.09Å1.10Å
C1CH14sing1.09Å1.10Å
C1CH15sing1.09Å1.10Å
C1DH16sing1.09Å1.10Å
C1DH17sing1.09Å1.10Å
C1EH18sing1.09Å1.10Å
C1EH19sing1.09Å1.10Å
C1GH20sing1.08Å1.08Å
C1HH21sing1.08Å1.08Å
C1IH22sing1.08Å1.08Å
C1MH23sing1.09Å1.10Å
C1MH24sing1.09Å1.10Å
C1MH25sing1.09Å1.10Å
N14H26sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C1F111.8°109.5°
CC1N109.8°109.4°
CC1H1108.9°109.5°
C1CH8109.5°109.5°
C1CH9109.5°109.5°
C1CH10109.5°109.5°
F12C1NC1L110.0°109.5°
F12C1NF1107.6°109.5°
F12C1NF109.5°109.5°
C1FC1N107.4°109.5°
C1C1FC1K126.8°120.0°
C1C1FC1G113.9°120.0°
C1FC1H1108.9°109.5°
C1NC12122.0°120.0°
NC1H1110.1°109.5°
C1NH7106.3°120.0°
C1MC1KC1F120.5°120.0°
C1MC1KC1L120.0°120.0°
C1KC1MH23109.5°109.5°
C1KC1MH24109.5°109.5°
C1KC1MH25109.5°109.5°
C1KC1FC1G119.3°120.0°
C1FC1KC1L119.5°120.0°
C1FC1GC1H121.2°120.0°
C1FC1GH20119.4°120.0°
C1KC1LC1N124.4°120.0°
C1KC1LC1I118.7°120.0°
C1GC1HC1I119.8°120.0°
C1HC1GH20119.4°120.0°
C1GC1HH21120.1°120.0°
C1NC1LC1I116.9°120.0°
C1LC1NF1111.0°109.5°
C1LC1NF111.7°109.5°
C1LC1IC1H121.5°120.0°
C1LC1IH22119.3°120.0°
F1C1NF106.9°109.5°
C1IC1HH21120.1°120.0°
C1HC1IH22119.3°120.0°
NC12N1118.1°120.7°
NC12C1A119.7°120.6°
C12NH7106.3°120.0°
C12N1N12120.4°123.3°
N1C12C1A122.2°118.7°
N1N12C13121.5°123.5°
C12C1AC19123.6°122.6°
C12C1AC15116.6°117.6°
N12C13C15121.6°119.1°
N12C13C14116.4°120.4°
C19C1AC15119.7°119.7°
C1AC19C18120.8°119.2°
C1AC19H6119.6°120.4°
C1AC15C13117.7°117.7°
C1AC15C16118.5°119.7°
C19C18N13118.8°119.6°
C19C18C17119.7°120.7°
C18C19H6119.6°120.4°
C15C13C14122.0°120.4°
C13C15C16123.8°122.6°
C13C14H2109.5°109.5°
C13C14H3109.5°109.5°
C13C14H4109.5°109.5°
C1BC1CN14108.7°109.4°
C1CC1BN13108.5°109.4°
C1CC1BH12109.7°109.5°
C1CC1BH13109.7°109.6°
C1BC1CH14109.7°109.5°
C1BC1CH15109.7°109.5°
C1CN14C1D109.3°110.9°
N14C1CH14109.7°109.5°
N14C1CH15109.7°109.5°
C1CN14H26109.5°110.9°
C15C16C17121.0°119.7°
C15C16H11119.4°120.2°
C1BN13C18114.9°111.0°
C1BN13C1E112.0°110.9°
N13C1BH12109.7°109.4°
N13C1BH13109.7°109.5°
N13C18C17121.5°119.7°
C18N13C1E118.5°111.0°
C18C17C16120.2°121.0°
C18C17H5119.9°119.5°
N13C1EC1D108.3°109.3°
N13C1EH18109.8°109.5°
N13C1EH19109.8°109.5°
C16C17H5119.9°119.5°
C17C16H11119.5°120.2°
N14C1DC1E109.0°109.4°
N14C1DH16109.6°109.4°
N14C1DH17109.6°109.5°
C1DN14H26109.5°111.0°
C1EC1DH16109.6°109.5°
C1EC1DH17109.6°109.5°
C1DC1EH18109.8°109.5°
C1DC1EH19109.8°109.5°
H2C14H3109.5°109.5°
H2C14H4109.5°109.5°
H3C14H4109.5°109.5°
H8CH9109.5°109.5°
H8CH10109.5°109.5°
H9CH10109.4°109.4°
H12C1BH13109.5°109.5°
H14C1CH15109.5°109.4°
H16C1DH17109.5°109.4°
H18C1EH19109.5°109.5°
H23C1MH24109.5°109.4°
H23C1MH25109.5°109.5°
H24C1MH25109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C1FN120.5°120.0°
CC1C1FH1120.4°120.0°
CC1NH1119.9°120.0°
CC1C1FC1K120.6°85.0°
CC1C1FC1G59.6°94.7°
CC1NC12135.5°85.0°
CC1NH713.8°95.0°
C1CH8H9120.0°120.0°
C1CH8H10120.0°120.1°
C1CH9H10120.0°120.0°
F12C1NC1LC1K64.1°60.0°
F12C1NC1LF1119.0°120.0°
F12C1NC1LF121.8°120.0°
F12C1NC1LC1I115.7°119.5°
F12C1NF1F117.6°120.0°
C1FC1NH1118.4°120.0°
C1C1FC1KC1M0.2°0.0°
C1C1FC1KC1G179.8°179.7°
C1C1FC1KC1L179.9°179.7°
C1C1FC1GC1H180.0°180.0°
C1FC1NC12102.7°155.0°
C1FC1NH7135.5°24.9°
C1FC1CH8180.0°60.0°
C1FC1CH960.0°180.0°
C1FC1CH1060.0°60.1°
C1C1FC1GH200.0°0.1°
NC1C1FC1K118.8°155.1°
NC1C1FC1G61.0°25.2°
C1NC12H7121.7°179.9°
C1NC12N13.6°0.6°
C1NC12C1A176.4°180.0°
NC1CH860.9°60.0°
NC1CH9179.1°60.0°
NC1CH1059.1°180.0°
C1MC1KC1FC1L179.9°179.7°
C1MC1KC1FC1G180.0°179.7°
C1MC1KC1LC1N0.0°0.3°
C1MC1KC1LC1I179.9°179.7°
C1KC1MH23H24120.0°120.0°
C1KC1MH23H25120.0°120.1°
C1KC1MH24H25120.0°120.0°
C1KC1FC1GC1H0.2°0.3°
C1FC1KC1LC1N179.9°180.0°
C1FC1KC1LC1I0.0°0.6°
C1KC1FC1H10.3°35.0°
C1KC1FC1GH20179.8°179.7°
C1FC1KC1MH2390.0°90.0°
C1FC1KC1MH24149.9°150.0°
C1FC1KC1MH2530.0°30.1°
C1GC1FC1KC1L0.1°0.6°
C1FC1GC1HH20180.0°179.9°
C1FC1GC1HC1I0.1°0.1°
C1GC1FC1H1179.9°145.3°
C1FC1GC1HH21179.9°180.0°
C1KC1LC1NC1I179.9°179.5°
C1KC1LC1NF1176.9°180.0°
C1KC1LC1NF57.7°60.0°
C1KC1LC1IC1H0.0°0.3°
C1KC1LC1IH22180.0°179.7°
C1LC1KC1MH2390.1°89.7°
C1LC1KC1MH2430.0°30.3°
C1LC1KC1MH25149.9°150.2°
C1GC1HC1IC1L0.0°0.1°
C1GC1HC1IH21180.0°179.9°
C1GC1HC1IH22180.0°179.9°
C1LC1NF1F122.0°120.0°
C1NC1LC1IC1H179.9°179.7°
C1NC1LC1IH220.1°0.3°
C1IC1LC1NF13.2°0.5°
C1IC1LC1NF122.5°120.5°
C1LC1IC1HH22180.0°180.0°
C1LC1IC1HH21180.0°180.0°
C1IC1HC1GH20179.8°180.0°
NC12N1C1A180.0°179.4°
NC12N1N12179.9°179.7°
NC12C1AC190.0°0.0°
NC12C1AC15180.0°180.0°
C12NC1H115.6°34.9°
C12N1N12C130.0°0.6°
N1C12C1AC19180.0°179.4°
N1C12C1AC150.0°0.6°
N1C12NH7125.3°179.4°
N12N1C12C1A0.0°0.9°
N1N12C13C150.0°0.0°
N1N12C13C14180.0°179.7°
C12C1AC19C15180.0°179.9°
C12C1AC19C18179.9°179.9°
C12C1AC15C130.0°0.0°
C12C1AC15C16180.0°180.0°
C12C1AC19H60.1°0.1°
C1AC12NH754.7°0.0°
N12C13C15C1A0.0°0.3°
N12C13C15C14179.9°179.7°
N12C13C15C16180.0°179.7°
N12C13C14H20.0°90.3°
N12C13C14H3120.0°29.7°
N12C13C14H4120.0°149.7°
C1AC19C18H6180.0°180.0°
C19C1AC15C13180.0°180.0°
C19C1AC15C160.0°0.0°
C1AC19C18N13179.8°180.0°
C1AC19C18C170.2°0.1°
C15C1AC19C180.1°0.0°
C1AC15C13C16179.9°180.0°
C1AC15C13C14179.9°180.0°
C1AC15C16C170.1°0.0°
C15C1AC19H6179.9°180.0°
C1AC15C16H11179.9°179.9°
C19C18N13C1B27.9°180.0°
C19C18N13C17179.6°179.9°
C19C18N13C1E164.2°56.2°
C19C18C17C160.3°0.1°
C19C18C17H5179.7°179.9°
C13C15C16C17180.0°180.0°
C15C13C14H2179.9°90.0°
C15C13C14H359.9°150.0°
C15C13C14H460.0°30.0°
C13C15C16H110.0°0.1°
C14C13C15C160.0°0.0°
C13C14H2H3120.0°120.0°
C13C14H2H4120.0°120.0°
C13C14H3H4120.0°120.0°
C1BC1CN14H14119.9°120.0°
C1BC1CN14H15119.9°120.0°
C1CC1BN13H12119.8°120.0°
C1CC1BN13H13119.8°120.0°
C1CC1BN13C18162.1°176.9°
C1CC1BN13C1E58.9°59.3°
C1BC1CN14C1D62.9°59.3°
C1CC1BH12H13120.5°120.1°
C1BC1CH14H15120.4°120.0°
C1BC1CN14H26177.1°176.8°
N14C1CC1BN1359.6°58.4°
C1CN14C1DH26120.0°123.8°
C1CN14C1DC1E62.9°59.3°
N14C1CC1BH1260.2°61.6°
N14C1CC1BH13179.5°178.4°
N14C1CH14H15120.4°120.1°
C1CN14C1DH1657.0°179.3°
C1CN14C1DH17177.1°60.7°
C15C16C17C180.2°0.1°
C15C16C17H11180.0°179.9°
C15C16C17H5179.8°180.0°
C1BN13C18C1E136.3°123.8°
C1BN13C18C17151.7°0.1°
C1BN13C1EC1D58.6°59.3°
N13C1BH12H13120.4°120.0°
N13C1BC1CH1460.2°61.6°
N13C1BC1CH15179.5°178.4°
C1BN13C1EH1861.2°179.3°
C1BN13C1EH19178.5°60.6°
N13C18C17C16179.9°180.0°
C18N13C1EC1D163.9°176.9°
N13C18C17H50.1°0.1°
N13C18C19H60.2°0.1°
C18N13C1BH1278.1°63.2°
C18N13C1BH1342.2°56.8°
C18N13C1EH1876.3°56.8°
C18N13C1EH1944.1°63.2°
C17C18N13C1E15.4°123.9°
C18C17C16H5180.0°179.9°
C17C18C19H6179.8°179.9°
C18C17C16H11179.8°180.0°
N13C1EC1DN1459.5°58.4°
N13C1EC1DH18119.8°120.0°
N13C1EC1DH19119.8°119.9°
C1EN13C1BH1261.0°60.7°
C1EN13C1BH13178.7°179.3°
N13C1EC1DH1660.4°178.3°
N13C1EC1DH17179.4°61.7°
N13C1EH18H19120.5°120.0°
N14C1DC1EH16119.9°119.9°
N14C1DC1EH17119.9°120.1°
C1DN14C1CH1457.0°60.6°
C1DN14C1CH15177.3°179.3°
N14C1DH16H17120.2°120.1°
N14C1DC1EH1860.3°178.4°
N14C1DC1EH19179.3°61.5°
C1EC1DH16H17120.2°120.0°
C1DC1EH18H19120.5°120.0°
C1EC1DN14H26177.1°176.9°
H1C1NH7106.1°145.0°
H1C1CH859.7°180.0°
H1C1CH960.4°60.0°
H1C1CH10179.7°60.0°
H2C14H3H4120.0°120.0°
H5C17C16H110.2°0.1°
H8CH9H10120.0°120.0°
H12C1BC1CH14179.9°178.5°
H12C1BC1CH1559.7°58.5°
H13C1BC1CH1459.6°58.4°
H13C1BC1CH1560.6°61.6°
H14C1CN14H2663.0°63.2°
H15C1CN14H2657.3°56.8°
H16C1DC1EH18179.8°61.6°
H16C1DC1EH1959.4°58.4°
H16C1DN14H2663.0°56.9°
H17C1DC1EH1859.6°58.4°
H17C1DC1EH1960.8°178.4°
H17C1DN14H2657.1°63.1°
H20C1GC1HH210.1°0.1°
H21C1HC1IH220.0°0.0°
H23C1MH24H25120.0°120.0°

225946

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