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U9I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C16sing1.55Å1.52Å
C17C18sing1.54Å1.52Å
C16C15sing1.55Å1.51Å
C18N3sing1.48Å1.47Å
C15N3sing1.49Å1.46Å
N3C14sing1.47Å1.47Å
C4C3sing1.54Å1.51Å
C4N2sing1.47Å1.47Å
C3N1sing1.47Å1.46Å
CL2C11sing1.74Å1.73Å
N2C13sing1.47Å1.48Å
N2C5sing1.35Å1.36Å
C19N1sing1.47Å1.47Å
C19C13sing1.53Å1.51Å
C14C13sing1.53Å1.54Å
C6C5sing1.51Å1.52Å
C6C7sing1.51Å1.50Å
C12C11doub1.38Å1.38ÅAromatic
C12C7sing1.38Å1.39ÅAromatic
N1C2sing1.35Å1.35Å
C5O3doub1.21Å1.23Å
C11C10sing1.39Å1.38ÅAromatic
C7C8doub1.38Å1.39ÅAromatic
C2O1sing1.35Å1.34Å
C2O2doub1.21Å1.21Å
O1C1sing1.45Å1.44Å
C10C9doub1.38Å1.38ÅAromatic
C10CL1sing1.74Å1.73Å
C8C9sing1.38Å1.38ÅAromatic
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C12H12sing1.08Å1.08Å
C13H13sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C8H10sing1.08Å1.08Å
C9H11sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C17C18104.7°105.1°
C17C16C15103.9°102.9°
C17C16H19110.8°110.7°
C17C16H18110.8°110.9°
C16C17H20110.6°110.3°
C16C17H21110.7°110.3°
C17C18N3103.9°107.1°
C18C17H20110.7°110.4°
C18C17H21110.7°110.3°
C17C18H22110.8°109.9°
C17C18H23110.8°109.9°
C16C15N3102.9°103.2°
C16C15H16111.1°110.7°
C16C15H17111.1°110.8°
C15C16H19110.9°110.7°
C15C16H18110.9°110.7°
C18N3C15101.5°105.8°
C18N3C14115.1°111.0°
N3C18H22110.8°109.9°
N3C18H23110.8°109.9°
C15N3C14112.8°111.0°
N3C15H16111.1°110.7°
N3C15H17111.1°110.7°
N3C14C13116.7°109.5°
N3C14H15107.6°109.5°
N3C14H14107.6°109.5°
C3C4N2109.4°108.5°
C4C3N1112.2°108.7°
C4C3H4108.8°109.6°
C4C3H5108.8°109.6°
C3C4H6109.5°109.6°
C3C4H7109.5°109.6°
C4N2C13114.5°118.8°
C4N2C5127.9°120.6°
N2C4H6109.5°109.8°
N2C4H7109.5°109.6°
C3N1C19115.3°118.8°
C3N1C2119.0°120.6°
N1C3H4108.8°109.7°
N1C3H5108.8°109.6°
CL2C11C12118.8°120.0°
CL2C11C10120.7°120.0°
C13N2C5117.6°120.6°
N2C13C19111.5°108.8°
N2C13C14111.4°109.6°
N2C13H13107.5°109.6°
N2C5C6119.6°120.0°
N2C5O3121.4°120.0°
N1C19C13112.4°108.6°
C19N1C2125.6°120.6°
N1C19H24108.7°109.6°
N1C19H25108.7°109.6°
C19C13C14112.2°109.6°
C19C13H13107.1°109.6°
C13C19H24108.7°109.6°
C13C19H25108.7°109.5°
C14C13H13106.8°109.6°
C13C14H15107.6°109.5°
C13C14H14107.6°109.5°
C5C6C7113.9°109.5°
C6C5O3119.0°120.0°
C5C6H8108.3°109.5°
C5C6H9108.4°109.5°
C6C7C12120.5°120.0°
C6C7C8121.0°119.9°
C7C6H8108.4°109.5°
C7C6H9108.4°109.5°
C11C12C7120.3°120.0°
C12C11C10120.4°120.0°
C11C12H12119.8°120.0°
C12C7C8118.5°120.1°
C7C12H12119.9°120.0°
N1C2O1112.5°119.9°
N1C2O2123.7°120.0°
C11C10C9119.9°120.0°
C11C10CL1121.0°120.0°
C7C8C9121.5°120.0°
C7C8H10119.2°120.0°
O1C2O2123.8°120.0°
C2O1C1114.9°117.0°
O1C1H2109.5°109.5°
O1C1H3109.5°109.4°
O1C1H1109.5°109.5°
C9C10CL1119.1°120.0°
C10C9C8119.4°120.0°
C10C9H11120.3°120.1°
C9C8H10119.3°120.0°
C8C9H11120.3°119.9°
H2C1H3109.4°109.5°
H2C1H1109.4°109.5°
H3C1H1109.5°109.5°
H15C14H14109.5°109.4°
H16C15H17109.5°110.6°
H19C16H18109.5°110.7°
H20C17H21109.5°110.4°
H22C18H23109.4°110.1°
H24C19H25109.5°109.7°
H4C3H5109.5°109.6°
H6C4H7109.5°109.8°
H8C6H9109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C17C18H20119.2°118.9°
C16C17C18H21119.2°118.9°
C17C16C15H19119.1°118.3°
C17C16C15H18119.1°118.5°
C16C17C18N322.6°1.3°
C17C16C15N333.1°37.4°
C17C16C15H1685.8°81.0°
C17C16C15H17152.1°155.9°
C17C16H19H18122.6°123.4°
C16C17H20H21122.2°122.1°
C16C17C18H22141.7°120.5°
C16C17C18H2396.6°118.1°
C18C17C16C156.4°21.9°
C17C18N3H22119.1°119.3°
C17C18N3H23119.1°119.4°
C17C18N3C1543.6°25.4°
C17C18N3C14165.8°145.9°
C18C17C16H19125.5°96.4°
C18C17C16H18112.7°140.3°
C18C17H20H21122.2°122.2°
C17C18H22H23122.5°121.2°
C16C15N3C1847.8°39.2°
C16C15N3H16118.9°118.4°
C16C15N3H17118.9°118.6°
C16C15N3C14171.6°159.7°
C16C15H16H17123.0°123.2°
C15C16H19H18122.6°123.2°
C15C16C17H20125.6°140.9°
C15C16C17H21112.9°97.0°
C18N3C15C14123.8°120.5°
C18N3C14C1379.7°78.1°
C18N3C14H1541.3°161.8°
C18N3C14H14159.2°41.9°
C18N3C15H1671.1°79.2°
C18N3C15H17166.7°157.8°
N3C18C17H2096.7°117.6°
N3C18C17H21141.8°120.1°
N3C18H22H23122.6°121.2°
C15N3C14C13164.3°164.5°
C15N3C14H1574.6°44.5°
C15N3C14H1443.3°75.4°
N3C15H16H17123.1°123.0°
N3C15C16H19152.2°80.9°
N3C15C16H1885.9°155.9°
C15N3C18H22162.7°144.7°
C15N3C18H2375.5°94.0°
N3C14C13N235.4°178.3°
N3C14C13C1990.4°62.4°
N3C14C13H15121.0°120.1°
N3C14C13H14121.0°120.0°
N3C14C13H13152.5°58.0°
N3C14H15H14116.7°120.0°
C14N3C15H1652.7°41.3°
C14N3C15H1769.5°81.7°
C14N3C18H2275.1°94.8°
C14N3C18H2346.7°26.5°
C3C4N2H6120.0°119.8°
C3C4N2H7120.0°119.6°
C4C3N1H4120.4°119.8°
C4C3N1H5120.4°119.8°
C3C4N2C1358.5°55.0°
C3C4N2C5119.6°124.8°
C4C3N1C192.7°55.1°
C4C3N1C2176.9°124.8°
C4C3H4H5118.8°120.4°
C3C4H6H7120.0°120.4°
N2C4C3N150.8°49.3°
C4N2C13C5178.4°179.8°
C4N2C13C1911.2°55.3°
C4N2C13C14115.0°175.1°
C4N2C5C63.8°5.1°
C4N2C5O3177.8°174.9°
C4N2C13H13128.3°64.5°
N2C4C3H469.6°169.1°
N2C4C3H5171.2°70.5°
N2C4H6H7120.0°120.5°
C3N1C19C2179.6°180.0°
C3N1C19C1350.5°55.3°
C3N1C2O1162.7°0.1°
C3N1C2O216.9°180.0°
C3N1C19H24171.0°64.5°
C3N1C19H2569.9°175.0°
N1C3H4H5118.8°120.4°
N1C3C4H669.2°169.2°
N1C3C4H7170.8°70.4°
CL2C11C12C10179.9°180.0°
CL2C11C12C7179.7°180.0°
CL2C11C10C9179.9°179.9°
CL2C11C10CL10.1°0.2°
CL2C11C12H120.3°0.0°
N2C13C19N142.7°49.5°
N2C13C19C14125.7°119.8°
N2C13C19H13117.4°119.8°
N2C13C14H13117.1°120.3°
C13N2C5C6174.3°175.1°
C13N2C5O34.1°4.9°
N2C13C14H15156.5°61.6°
N2C13C14H1485.6°58.3°
N2C13C19H24163.1°70.3°
N2C13C19H2577.7°169.3°
C13N2C4H661.5°174.8°
C13N2C4H7178.5°64.6°
C5N2C13C19167.2°124.5°
C5N2C13C1466.6°4.7°
N2C5C6O3178.4°180.0°
N2C5C6C7178.9°180.0°
C5N2C13H1350.0°115.6°
C5N2C4H6120.4°5.0°
C5N2C4H70.4°115.6°
N2C5C6H860.5°60.0°
N2C5C6H958.2°60.0°
N1C19C13H24120.5°119.8°
N1C19C13H25120.4°119.7°
N1C19C13C14168.4°169.3°
C19N1C2O117.7°180.0°
C19N1C2O2162.7°0.0°
N1C19C13H1374.7°70.3°
N1C19H24H25118.6°120.5°
C19N1C3H4123.1°175.0°
C19N1C3H5117.7°64.6°
C19C13C14H13117.1°120.4°
C13C19N1C2129.0°124.7°
C19C13C14H1530.7°57.7°
C19C13C14H14148.6°177.6°
C13C19H24H25118.7°120.3°
C13C14H15H14116.7°120.0°
C14C13C19H2471.1°49.5°
C14C13C19H2548.0°70.9°
C5C6C7H8120.6°120.0°
C5C6C7H9120.7°120.0°
C5C6C7C1295.3°90.0°
C5C6C7C885.7°90.0°
C5C6H8H9118.0°120.0°
C6C7C12C11179.6°180.0°
C6C7C12C8179.1°179.9°
C7C6C5O30.5°0.0°
C6C7C8C9179.7°179.9°
C6C7C12H120.4°0.0°
C7C6H8H9118.0°120.0°
C6C7C8H100.2°0.0°
C11C12C7H12180.0°180.0°
C11C12C7C80.5°0.1°
C12C11C10C90.1°0.1°
C12C11C10CL1180.0°179.8°
C7C12C11C100.2°0.0°
C12C7C8C90.6°0.1°
C12C7C6H825.4°30.0°
C12C7C6H9144.1°150.0°
C12C7C8H10179.3°180.0°
N1C2O1O2179.6°179.9°
N1C2O1C1177.4°179.9°
C2N1C19H248.6°115.5°
C2N1C19H25110.5°5.0°
C2N1C3H456.5°5.0°
C2N1C3H562.7°115.4°
O3C5C6H8121.1°120.0°
O3C5C6H9120.2°120.0°
C11C10C9CL1180.0°179.8°
C11C10C9C80.0°0.1°
C10C11C12H12179.8°180.0°
C11C10C9H11180.0°179.8°
C7C8C9C100.4°0.0°
C7C8C9H10180.0°179.9°
C8C7C12H12179.5°179.9°
C8C7C6H8153.7°150.0°
C8C7C6H935.0°30.0°
C7C8C9H11179.6°179.7°
C2O1C1H2180.0°60.0°
C2O1C1H360.0°60.0°
C2O1C1H160.0°180.0°
O2C2O1C12.2°0.0°
O1C1H2H3120.0°120.0°
O1C1H2H1120.0°120.0°
O1C1H3H1120.0°120.0°
C10C9C8H11180.0°179.7°
C10C9C8H10179.6°180.0°
CL1C10C9C8180.0°179.8°
CL1C10C9H110.0°0.1°
H2C1H3H1120.0°120.0°
H13C13C14H1586.4°178.1°
H13C13C14H1431.5°62.0°
H13C13C19H2445.8°169.9°
H13C13C19H25164.9°49.5°
H16C15C16H1933.3°160.6°
H16C15C16H18155.1°37.5°
H17C15C16H1988.8°37.6°
H17C15C16H1833.0°85.5°
H19C16C17H20115.3°22.6°
H19C16C17H216.3°144.7°
H18C16C17H206.5°100.7°
H18C16C17H21128.0°21.5°
H20C17C18H2222.5°1.7°
H20C17C18H23144.2°123.0°
H21C17C18H2299.1°120.6°
H21C17C18H2322.7°0.7°
H4C3C4H6170.4°71.0°
H4C3C4H750.4°49.5°
H5C3C4H651.2°49.4°
H5C3C4H768.8°169.9°
H10C8C9H110.4°0.2°

222415

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