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P17

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S2C3sing1.76Å1.78Å
S2C1sing1.81Å1.83Å
C3C8doub1.39Å1.43ÅAromatic
C3C4sing1.39Å1.43ÅAromatic
C8C7sing1.39Å1.42ÅAromatic
C8H10sing1.08Å1.10Å
C7N9sing1.40Å1.39Å
C7C6doub1.39Å1.44ÅAromatic
N9C10sing1.38Å1.38Å
N9H1sing0.97Å1.02Å
C10N15doub1.32Å1.37ÅAromatic
C10N11sing1.33Å1.37ÅAromatic
N15C14sing1.33Å1.36ÅAromatic
C14N19sing1.37Å1.39ÅAromatic
C14C13doub1.41Å1.42ÅAromatic
N19C20sing1.47Å1.47Å
N19C18sing1.35Å1.34ÅAromatic
C20H4sing1.09Å1.11Å
C20H5sing1.09Å1.12Å
C20H6sing1.09Å1.12Å
C18O21doub1.22Å1.23Å
C18C17sing1.47Å1.50ÅAromatic
C17C22sing1.48Å1.52ÅAromatic
C17C16doub1.37Å1.36ÅAromatic
C22C27sing1.39Å1.44ÅAromatic
C22C23doub1.39Å1.45ÅAromatic
C27C26doub1.38Å1.42ÅAromatic
C27CL2sing1.74Å4.15Å
CL1C23sing1.74Å4.13Å
C26C25sing1.38Å1.42ÅAromatic
C26H7sing1.08Å1.10Å
C25C24doub1.38Å1.42ÅAromatic
C25H8sing1.08Å1.10Å
C24C23sing1.38Å1.42ÅAromatic
C24H9sing1.08Å1.10Å
C16C13sing1.41Å1.52ÅAromatic
C16H3sing1.08Å1.10Å
C13C12sing1.40Å1.41ÅAromatic
C12N11doub1.32Å1.37ÅAromatic
C12H2sing1.08Å1.10Å
C6C5sing1.38Å1.42ÅAromatic
C6H16sing1.08Å1.10Å
C5C4doub1.38Å1.41ÅAromatic
C5H15sing1.08Å1.10Å
C4H14sing1.08Å1.10Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
C1H13sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3S2C1100.1°100.0°
S2C3C8119.1°120.1°
S2C3C4120.5°120.0°
S2C1H11100.1°109.5°
S2C1H12115.8°109.5°
S2C1H13115.8°109.4°
C8C3C4120.4°119.9°
C3C8C7120.4°119.9°
C3C8H10120.0°120.1°
C3C4C5119.9°120.1°
C3C4H14120.8°120.0°
C7C8H10119.6°120.0°
C8C7N9116.9°120.1°
C8C7C6118.5°119.9°
N9C7C6124.5°120.1°
C7N9C10125.0°120.0°
C7N9H1106.7°120.0°
C7C6C5121.0°120.1°
C7C6H16120.2°119.9°
C10N9H1106.7°120.0°
N9C10N15120.0°118.8°
N9C10N11120.4°118.8°
N15C10N11119.6°122.4°
C10N15C14122.8°120.5°
C10N11C12120.6°121.2°
N15C14N19120.7°120.9°
N15C14C13118.0°118.7°
N19C14C13121.3°120.4°
C14N19C20117.0°119.6°
C14N19C18121.8°120.7°
C14C13C16118.2°120.2°
C14C13C12119.1°118.6°
C20N19C18121.3°119.7°
N19C20H4117.0°109.5°
N19C20H5109.5°109.4°
N19C20H6109.5°109.4°
N19C18O21122.6°119.9°
N19C18C17120.6°120.3°
H4C20H5109.5°109.5°
H4C20H6109.5°109.5°
H5C20H6100.6°109.5°
O21C18C17116.8°119.8°
C18C17C22123.0°120.3°
C18C17C16119.8°119.3°
C22C17C16117.3°120.4°
C17C22C27121.5°120.1°
C17C22C23119.1°120.2°
C17C16C13118.3°119.1°
C17C16H3115.7°120.5°
C27C22C23119.4°119.7°
C22C27C26119.8°119.9°
C22C27CL219.5°120.1°
C22C23CL118.7°120.1°
C22C23C24119.5°119.8°
C26C27CL2100.3°120.0°
C27C26C25120.5°120.1°
C27C26H7119.7°119.9°
CL1C23C24100.8°120.1°
C25C26H7119.8°120.0°
C26C25C24120.5°120.3°
C26C25H8119.6°119.8°
C24C25H8119.9°119.9°
C25C24C23120.3°120.2°
C25C24H9119.9°120.0°
C23C24H9119.9°119.9°
C13C16H3126.0°120.5°
C16C13C12122.7°121.2°
C13C12N11119.9°118.6°
C13C12H2121.5°120.7°
N11C12H2118.6°120.7°
C5C6H16118.8°120.0°
C6C5C4119.8°120.1°
C6C5H15120.5°120.0°
C4C5H15119.6°119.9°
C5C4H14119.4°119.9°
H11C1H12115.8°109.5°
H11C1H13115.8°109.5°
H12C1H1394.6°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S2C3C8C4180.0°179.8°
S2C3C8C7179.8°179.7°
S2C3C8H100.2°0.2°
S2C3C4C5179.8°180.0°
S2C3C4H140.2°0.0°
C3S2C1H11180.0°180.0°
C3S2C1H1254.8°59.9°
C3S2C1H1354.8°60.0°
C1S2C3C8122.9°179.7°
C1S2C3C457.1°0.0°
S2C1H11H12125.2°120.1°
S2C1H11H13125.3°119.9°
S2C1H12H13121.6°120.0°
C3C8C7H10180.0°179.5°
C3C8C7N9179.5°179.7°
C3C8C7C60.1°0.6°
C8C3C4C50.2°0.3°
C8C3C4H14179.8°179.8°
C4C3C8C70.2°0.5°
C4C3C8H10179.8°180.0°
C3C4C5C60.0°0.0°
C3C4C5H14180.0°180.0°
C3C4C5H15180.0°180.0°
C8C7N9C6179.7°179.7°
C8C7N9C10166.9°34.1°
C8C7N9H141.6°145.8°
C8C7C6C50.0°0.3°
C8C7C6H16180.0°179.7°
H10C8C7N90.4°0.2°
H10C8C7C6179.9°179.9°
C7N9C10H1125.3°180.0°
C7N9C10N152.4°174.8°
C7N9C10N11177.5°5.5°
N9C7C6C5179.6°180.0°
N9C7C6H160.4°0.0°
C6C7N9C1013.4°146.1°
C6C7N9H1138.7°33.9°
C7C6C5H16180.0°179.9°
C7C6C5C40.0°0.0°
C7C6C5H15179.9°179.9°
N9C10N15N11179.9°179.7°
N9C10N15C14179.6°179.7°
N9C10N11C12179.6°179.9°
H1N9C10N15127.7°5.2°
H1N9C10N1152.2°174.5°
C10N15C14N19179.8°179.7°
C10N15C14C130.1°0.5°
N15C10N11C120.4°0.2°
N11C10N15C140.4°0.6°
C10N11C12C130.0°0.1°
C10N11C12H2180.0°180.0°
N15C14N19C13179.9°179.7°
N15C14N19C200.5°0.3°
N15C14N19C18179.4°179.7°
N15C14C13C16179.4°179.7°
N15C14C13C120.3°0.2°
C14N19C20C18179.9°180.0°
C14N19C20H4180.0°180.0°
C14N19C20H554.7°60.0°
C14N19C20H654.7°60.0°
C14N19C18O21179.8°179.9°
C14N19C18C170.1°0.0°
N19C14C13C160.5°0.0°
N19C14C13C12179.9°179.9°
C13C14N19C20179.6°180.0°
C13C14N19C180.4°0.0°
C14C13C16C170.3°0.0°
C14C13C16C12179.6°179.9°
C14C13C16H3179.7°179.9°
C14C13C12N110.3°0.2°
C14C13C12H2179.7°180.0°
N19C20H4H5125.3°120.0°
N19C20H4H6125.3°120.0°
N19C20H5H6115.2°119.9°
C20N19C18O210.2°0.0°
C20N19C18C17179.9°180.0°
C18N19C20H40.1°0.0°
C18N19C20H5125.2°120.0°
C18N19C20H6125.4°120.0°
N19C18O21C17179.9°180.0°
N19C18C17C22179.1°180.0°
N19C18C17C160.1°0.0°
H4C20H5H6115.3°120.1°
O21C18C17C220.8°0.0°
O21C18C17C16180.0°179.9°
C18C17C22C16179.1°179.9°
C18C17C22C2790.3°90.0°
C18C17C22C2389.3°89.7°
C18C17C16C130.0°0.0°
C18C17C16H3180.0°180.0°
C17C22C27C23179.6°179.7°
C17C22C27C26179.1°180.0°
C17C22C27CL2177.9°0.0°
C17C22C23CL1179.9°0.3°
C17C22C23C24178.5°179.7°
C22C17C16C13179.2°179.9°
C22C17C16H30.8°0.1°
C16C17C22C2788.8°90.0°
C16C17C22C2391.5°90.2°
C17C16C13H3180.0°180.0°
C17C16C13C12179.9°179.9°
C22C27C26CL21.0°180.0°
C27C22C23CL10.4°180.0°
C22C27C26C250.2°0.0°
C22C27C26H7179.8°180.0°
C27C22C23C241.2°0.6°
C23C22C27C260.6°0.3°
C23C22C27CL22.5°179.7°
C22C23CL1C24178.6°179.4°
C22C23C24C251.0°0.6°
C22C23C24H9179.0°179.7°
C27C26C25H7180.0°180.0°
C27C26C25C240.4°0.1°
C27C26C25H8179.7°180.0°
CL2C27C26C251.2°180.0°
CL2C27C26H7178.7°0.0°
CL1C23C24C250.5°180.0°
CL1C23C24H9179.5°0.3°
C26C25C24H8180.0°179.9°
C26C25C24C230.3°0.4°
C26C25C24H9179.7°180.0°
H7C26C25C24179.6°179.9°
H7C26C25H80.3°0.0°
C25C24C23H9180.0°179.7°
H8C25C24C23179.7°179.7°
H8C25C24H90.3°0.0°
C16C13C12N11179.3°180.0°
C16C13C12H20.7°0.1°
H3C16C13C120.1°0.1°
C13C12N11H2180.0°179.8°
C6C5C4H15180.0°180.0°
C6C5C4H14179.9°180.0°
H16C6C5C4180.0°180.0°
H16C6C5H150.0°0.0°
H15C5C4H140.1°0.0°
H11C1H12H13121.7°120.0°

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