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93S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O11S2doub1.42Å1.43Å
C25C29doub1.38Å1.38ÅAromatic
C25C8sing1.38Å1.38ÅAromatic
C29C35sing1.38Å1.39ÅAromatic
S2C8sing1.76Å1.76Å
S2O10doub1.42Å1.43Å
S2N3sing1.66Å1.63Å
C8C14doub1.38Å1.39ÅAromatic
C35C20doub1.38Å1.38ÅAromatic
C14C20sing1.38Å1.38ÅAromatic
C20CL22sing1.74Å1.75Å
N3C6sing1.35Å1.37Å
C6O16doub1.22Å1.23Å
C6N18sing1.35Å1.34Å
N18C30sing1.46Å1.44Å
C30C23sing1.53Å1.49Å
O27C32sing1.43Å1.40Å
O27C33sing1.43Å1.40Å
C24C33sing1.53Å1.48Å
C24C31sing1.53Å1.51Å
C23C32sing1.53Å1.49Å
C31N17sing1.46Å1.45Å
N17C5sing1.35Å1.35Å
C5O15doub1.22Å1.22Å
C5N4sing1.35Å1.37Å
N4S1sing1.66Å1.64Å
S1C7sing1.76Å1.76Å
S1O9doub1.42Å1.43Å
S1O12doub1.42Å1.43Å
C26C7doub1.38Å1.38ÅAromatic
C26C28sing1.38Å1.39ÅAromatic
C7C13sing1.38Å1.39ÅAromatic
C28C34doub1.38Å1.39ÅAromatic
C13C19doub1.38Å1.38ÅAromatic
C34C19sing1.38Å1.37ÅAromatic
C19CL21sing1.74Å1.77Å
C14H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C23H3sing1.09Å1.10Å
C23H4sing1.09Å1.10Å
C24H5sing1.09Å1.10Å
C24H6sing1.09Å1.10Å
C25H7sing1.08Å1.08Å
C26H8sing1.08Å1.08Å
C28H9sing1.08Å1.08Å
C29H10sing1.08Å1.08Å
C30H11sing1.09Å1.10Å
C30H12sing1.09Å1.10Å
C31H13sing1.09Å1.10Å
C31H14sing1.09Å1.10Å
C32H15sing1.09Å1.10Å
C32H16sing1.09Å1.10Å
C33H17sing1.09Å1.10Å
C33H18sing1.09Å1.10Å
C34H19sing1.08Å1.08Å
C35H20sing1.08Å1.08Å
N17H21sing0.97Å1.00Å
N18H22sing0.97Å1.00Å
N3H23sing0.97Å1.00Å
N4H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11S2C8108.1°106.4°
O11S2O10119.7°123.2°
O11S2N3105.0°106.4°
C29C25C8119.0°120.0°
C25C29C35120.8°120.0°
C29C25H7120.5°120.0°
C25C29H10119.6°120.0°
C25C8S2120.0°120.0°
C25C8C14121.2°120.0°
C8C25H7120.5°120.0°
C29C35C20118.9°120.0°
C35C29H10119.6°120.0°
C29C35H20120.6°120.0°
C8S2O10107.9°106.4°
C8S2N3107.2°107.2°
S2C8C14118.8°120.0°
O10S2N3108.4°106.4°
S2N3C6124.7°120.0°
S2N3H23117.7°120.0°
C8C14C20118.4°120.0°
C8C14H1120.8°120.0°
C35C20C14121.8°120.0°
C35C20CL22119.2°120.0°
C20C35H20120.6°120.0°
C14C20CL22119.0°120.0°
C20C14H1120.8°120.0°
N3C6O16121.7°120.0°
N3C6N18114.8°120.0°
C6N3H23117.7°120.0°
O16C6N18123.5°120.0°
C6N18C30122.1°120.0°
C6N18H22119.0°120.0°
N18C30C23111.2°109.5°
N18C30H11109.0°109.5°
N18C30H12109.1°109.5°
C30N18H22119.0°120.0°
C30C23C32113.1°109.5°
C30C23H3108.6°109.4°
C30C23H4108.6°109.5°
C23C30H11109.0°109.5°
C23C30H12109.0°109.5°
C32O27C33113.7°114.0°
O27C32C23108.2°109.5°
O27C32H15109.8°109.5°
O27C32H16109.8°109.5°
O27C33C24108.3°109.5°
O27C33H17109.8°109.5°
O27C33H18109.8°109.5°
C33C24C31113.0°109.5°
C33C24H5108.6°109.5°
C33C24H6108.6°109.5°
C24C33H17109.8°109.5°
C24C33H18109.8°109.4°
C24C31N17111.7°109.5°
C31C24H5108.5°109.5°
C31C24H6108.6°109.5°
C24C31H13108.9°109.4°
C24C31H14108.9°109.5°
C32C23H3108.6°109.5°
C32C23H4108.6°109.4°
C23C32H15109.8°109.5°
C23C32H16109.8°109.4°
C31N17C5121.2°120.0°
N17C31H13108.9°109.5°
N17C31H14108.9°109.5°
C31N17H21119.4°120.0°
N17C5O15123.0°120.0°
N17C5N4115.1°120.0°
C5N17H21119.4°120.0°
O15C5N4121.9°120.0°
C5N4S1125.5°120.0°
C5N4H24117.3°120.0°
N4S1C7106.4°107.2°
N4S1O9108.0°106.4°
N4S1O12105.7°106.4°
S1N4H24117.2°120.0°
C7S1O9108.4°106.4°
C7S1O12108.4°106.4°
S1C7C26119.9°120.0°
S1C7C13119.1°120.0°
O9S1O12119.3°123.1°
C7C26C28119.2°120.0°
C26C7C13121.0°120.0°
C7C26H8120.4°120.0°
C26C28C34120.6°120.0°
C28C26H8120.4°120.0°
C26C28H9119.7°120.0°
C7C13C19118.5°120.0°
C7C13H2120.8°120.0°
C28C34C19118.9°120.0°
C34C28H9119.7°120.0°
C28C34H19120.5°120.0°
C13C19C34121.8°120.0°
C13C19CL21119.0°120.0°
C19C13H2120.7°120.0°
C34C19CL21119.2°120.0°
C19C34H19120.5°120.1°
H3C23H4109.4°109.5°
H5C24H6109.5°109.4°
H11C30H12109.4°109.4°
H13C31H14109.5°109.5°
H15C32H16109.5°109.5°
H17C33H18109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11S2C8C2538.5°156.2°
O11S2C8O10130.8°132.9°
O11S2C8N3112.7°113.5°
O11S2O10N3120.2°123.0°
O11S2C8C14140.2°23.5°
O11S2N3C6176.9°178.5°
O11S2N3H233.1°1.4°
C29C25C8H7180.0°180.0°
C25C29C35H10180.0°179.9°
C29C25C8S2179.8°179.7°
C29C25C8C141.1°0.0°
C25C29C35C200.2°0.1°
C25C29C35H20179.8°180.0°
C8C25C29C350.6°0.0°
C25C8S2C14178.7°179.7°
C25C8S2O10169.3°23.2°
C25C8S2N374.2°90.3°
C25C8C14C200.8°0.0°
C25C8C14H1179.2°180.0°
C8C25C29H10179.4°180.0°
C29C35C20H20180.0°179.9°
C29C35C20C140.5°0.0°
C29C35C20CL22178.9°180.0°
C35C29C25H7179.4°180.0°
C8S2O10N3115.7°114.1°
S2C8C14C20179.5°179.7°
C8S2N3C668.3°65.0°
S2C8C14H10.5°0.3°
S2C8C25H70.2°0.3°
C8S2N3H23111.7°115.0°
O10S2C8C149.4°156.4°
O10S2N3C647.9°48.6°
O10S2N3H23132.1°131.5°
N3S2C8C14107.1°90.0°
S2N3C6H23180.0°179.9°
S2N3C6O162.3°0.1°
S2N3C6N18179.7°180.0°
C8C14C20C350.1°0.0°
C8C14C20H1180.0°180.0°
C8C14C20CL22179.4°180.0°
C14C8C25H7178.9°180.0°
C35C20C14CL22179.5°180.0°
C35C20C14H1179.9°180.0°
C20C35C29H10179.8°180.0°
C14C20C35H20179.4°180.0°
CL22C20C14H10.6°0.0°
CL22C20C35H201.1°0.0°
N3C6O16N18177.2°179.9°
N3C6N18C30178.8°180.0°
N3C6N18H221.2°0.1°
O16C6N18C301.4°0.1°
O16C6N18H22178.6°180.0°
O16C6N3H23177.7°180.0°
C6N18C30H22180.0°179.9°
C6N18C30C2387.2°179.9°
C6N18C30H1133.1°60.0°
C6N18C30H12152.6°59.9°
N18C6N3H230.3°0.1°
N18C30C23H11120.3°120.0°
N18C30C23H12120.3°120.0°
N18C30C23C3282.1°180.0°
N18C30C23H338.5°60.0°
N18C30C23H4157.4°60.0°
N18C30H11H12119.2°120.0°
C30C23C32O27130.8°180.0°
C30C23C32H3120.6°120.0°
C30C23C32H4120.6°120.0°
C30C23H3H4118.3°120.0°
C23C30H11H12119.2°120.0°
C30C23C32H1511.0°60.0°
C30C23C32H16109.4°60.0°
C23C30N18H2292.9°0.0°
C32O27C33C24179.2°180.0°
O27C32C23H15119.8°120.0°
O27C32C23H16119.8°120.0°
O27C32C23H310.2°60.0°
O27C32C23H4108.7°60.0°
O27C32H15H16120.6°120.0°
C32O27C33H1759.4°60.0°
C32O27C33H1860.9°60.0°
O27C33C24H17119.8°120.0°
O27C33C24H18119.8°120.0°
O27C33C24C31172.2°180.0°
C33O27C32C23123.1°180.0°
O27C33C24H567.3°60.0°
O27C33C24H651.6°60.0°
C33O27C32H15117.1°60.0°
C33O27C32H163.3°60.0°
O27C33H17H18120.6°120.0°
C33C24C31H5120.5°120.0°
C33C24C31H6120.5°120.0°
C33C24C31N1741.5°180.0°
C33C24H5H6118.4°120.0°
C33C24C31H13161.8°60.0°
C33C24C31H1478.9°60.0°
C24C33H17H18120.6°120.0°
C24C31N17H13120.3°120.0°
C24C31N17H14120.4°120.0°
C24C31N17C5125.5°179.9°
C31C24H5H6118.4°120.0°
C24C31H13H14119.0°120.0°
C31C24C33H1752.4°60.0°
C31C24C33H1868.0°60.0°
C24C31N17H2154.5°0.0°
C32C23H3H4118.3°120.0°
C32C23C30H11157.7°60.0°
C32C23C30H1238.2°60.0°
C23C32H15H16120.6°120.0°
C31N17C5H21180.0°179.9°
C31N17C5O150.8°0.0°
C31N17C5N4179.3°179.8°
N17C31C24H579.0°60.0°
N17C31C24H6162.0°60.0°
N17C31H13H14119.0°120.0°
N17C5O15N4178.4°179.8°
N17C5N4S1179.4°179.7°
C5N17C31H13114.2°60.0°
C5N17C31H145.1°60.0°
N17C5N4H240.6°0.2°
O15C5N4S10.9°0.1°
O15C5N17H21179.2°180.0°
O15C5N4H24179.1°180.0°
C5N4S1H24180.0°179.9°
C5N4S1C770.4°65.1°
C5N4S1O945.7°178.6°
C5N4S1O12174.5°48.5°
N4C5N17H210.8°0.2°
N4S1C7O9115.9°113.5°
N4S1C7O12113.2°113.6°
N4S1O9O12120.6°122.9°
N4S1C7C2679.2°90.3°
N4S1C7C13100.0°90.0°
C7S1O9O12124.6°123.0°
S1C7C26C13179.2°179.6°
S1C7C26C28179.4°179.7°
S1C7C13C19179.6°179.7°
S1C7C13H20.4°0.3°
S1C7C26H80.7°0.3°
C7S1N4H24109.6°115.0°
O9S1C7C26164.8°156.1°
O9S1C7C1316.0°23.5°
O9S1N4H24134.3°1.5°
O12S1C7C2634.0°23.2°
O12S1C7C13146.8°156.4°
O12S1N4H245.5°131.4°
C7C26C28H8180.0°180.0°
C7C26C28C340.4°NaN°
C26C7C13C190.4°0.1°
C26C7C13H2179.6°180.0°
C7C26C28H9179.6°180.0°
C28C26C7C130.2°0.1°
C26C28C34H9180.0°180.0°
C26C28C34C190.8°0.1°
C26C28C34H19179.2°180.0°
C7C13C19H2180.0°180.0°
C7C13C19C340.1°NaN°
C7C13C19CL21179.3°180.0°
C13C7C26H8179.8°180.0°
C28C34C19C130.5°0.1°
C28C34C19H19180.0°179.9°
C28C34C19CL21179.9°180.0°
C34C28C26H8179.6°180.0°
C13C19C34CL21179.4°180.0°
C13C19C34H19179.5°180.0°
C34C19C13H2179.9°180.0°
C19C34C28H9179.2°180.0°
CL21C19C13H20.7°0.0°
CL21C19C34H190.1°0.1°
H3C23C30H1181.8°60.0°
H3C23C30H12158.8°180.0°
H3C23C32H15109.6°180.0°
H3C23C32H16130.0°60.0°
H4C23C30H1137.1°180.0°
H4C23C30H1282.3°60.0°
H4C23C32H15131.5°60.0°
H4C23C32H1611.1°180.0°
H5C24C31H1341.3°60.0°
H5C24C31H14160.6°180.0°
H5C24C33H17172.9°180.0°
H5C24C33H1852.5°60.0°
H6C24C31H1377.7°180.0°
H6C24C31H1441.7°60.0°
H6C24C33H1768.1°60.0°
H6C24C33H18171.5°180.0°
H7C25C29H100.6°0.1°
H8C26C28H90.5°0.0°
H9C28C34H190.8°0.0°
H10C29C35H200.2°0.1°
H11C30N18H22146.9°120.1°
H12C30N18H2227.4°120.0°
H13C31N17H2165.8°120.0°
H14C31N17H21174.9°120.0°

217705

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