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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S44C43sing1.76Å1.80ÅAromatic
S44C32sing1.76Å1.78ÅAromatic
C43C42doub1.33Å1.37ÅAromatic
C6C7sing1.54Å1.50Å
C6C5sing1.53Å1.51Å
O29C28doub1.21Å1.23Å
C7C8sing1.55Å1.52Å
C7N2sing1.49Å1.41Å
C42C41sing1.38Å1.35ÅAromatic
C32C41doub1.33Å1.37ÅAromatic
C32C30sing1.51Å1.51Å
O33C30sing1.43Å1.38Å
C8O10sing1.43Å1.42Å
C8C9sing1.54Å1.47Å
C28C30sing1.51Å1.51Å
C28O11sing1.34Å1.41Å
C30C31sing1.51Å1.50Å
C12N2sing1.47Å1.45Å
C1N2sing1.47Å1.42Å
N2C3sing1.49Å1.40Å
O10C9sing1.43Å1.43Å
C5O11sing1.45Å1.41Å
C5C4sing1.53Å1.50Å
C9C3sing1.55Å1.52Å
C3C4sing1.54Å1.49Å
C31S37sing1.76Å1.78ÅAromatic
C31C34doub1.33Å1.38ÅAromatic
S37C36sing1.76Å1.79ÅAromatic
C34C35sing1.38Å1.36ÅAromatic
C35C36doub1.33Å1.37ÅAromatic
C34H1sing1.08Å1.08Å
C35H2sing1.08Å1.08Å
C36H3sing1.08Å1.08Å
C41H4sing1.08Å1.08Å
C42H5sing1.08Å1.08Å
C43H6sing1.08Å1.08Å
O33H7sing0.97Å0.95Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C3H11sing1.09Å1.10Å
C4H12sing1.09Å1.10Å
C4H13sing1.09Å1.10Å
C5H14sing1.09Å1.10Å
C6H15sing1.09Å1.10Å
C6H16sing1.09Å1.10Å
C7H17sing1.09Å1.10Å
C8H18sing1.09Å1.10Å
C9H19sing1.09Å1.10Å
C12H20sing1.09Å1.10Å
C12H21sing1.09Å1.10Å
C12H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C43S44C3297.9°90.9°
S44C43C42101.6°109.6°
S44C43H6129.2°125.2°
S44C32C41101.7°109.6°
S44C32C30131.3°125.2°
C43C42C41119.1°114.9°
C43C42H5120.5°122.5°
C42C43H6129.2°125.2°
C7C6C5110.0°108.5°
C6C7C8104.6°108.8°
C6C7N2115.4°106.6°
C7C6H15109.3°109.6°
C7C6H16109.3°109.6°
C6C7H17109.7°112.2°
C6C5O11108.9°109.4°
C6C5C4114.8°109.7°
C6C5H14108.3°109.4°
C5C6H15109.4°110.6°
C5C6H16109.4°108.9°
O29C28C30121.1°120.0°
O29C28O11121.5°120.0°
C8C7N2106.4°104.2°
C7C8O10119.3°117.9°
C7C8C9101.9°104.8°
C8C7H17109.4°112.4°
C7C8H18118.4°118.0°
C7N2C12111.9°110.6°
C7N2C1114.4°110.6°
C7N2C3100.1°103.5°
N2C7H17111.1°112.2°
C42C41C32119.8°114.9°
C42C41H4120.1°122.6°
C41C42H5120.5°122.5°
C41C32C30127.0°125.2°
C32C41H4120.1°122.5°
C32C30O33112.0°109.5°
C32C30C28109.5°109.5°
C32C30C31108.7°109.5°
O33C30C28107.2°109.4°
O33C30C31111.3°109.5°
C30O33H7109.5°114.1°
O10C8C959.0°57.3°
C8O10C962.2°65.4°
O10C8H18120.6°120.0°
C8C9O1058.8°57.3°
C8C9C3103.9°104.9°
C9C8H18119.5°123.6°
C8C9H19119.3°122.7°
C30C28O11117.3°120.0°
C28C30C31108.1°109.4°
C28O11C5121.7°117.0°
C30C31S37129.7°125.2°
C30C31C34128.2°125.2°
C12N2C1105.6°110.6°
C12N2C3112.8°110.0°
N2C12H20109.5°109.5°
N2C12H21109.5°109.4°
N2C12H22109.5°109.5°
C1N2C3112.2°111.3°
N2C1H8109.5°109.4°
N2C1H9109.4°109.5°
N2C1H10109.5°109.5°
N2C3C9105.9°104.2°
N2C3C4114.0°107.2°
N2C3H11111.3°112.8°
O10C9C3119.2°117.9°
O10C9H19120.3°120.0°
O11C5C4106.6°109.4°
O11C5H14109.7°109.4°
C5C4C3110.0°108.9°
C5C4H12109.3°109.6°
C5C4H13109.3°109.7°
C4C5H14108.4°109.5°
C9C3C4106.0°107.8°
C9C3H11109.5°112.2°
C3C9H19118.3°118.4°
C4C3H11109.8°112.1°
C3C4H12109.4°109.5°
C3C4H13109.3°109.6°
S37C31C34102.1°109.6°
C31S37C3697.9°91.0°
C31C34C35119.2°114.9°
C31C34H1120.4°122.6°
S37C36C35102.2°109.6°
S37C36H3128.9°125.2°
C34C35C36118.6°114.9°
C35C34H1120.4°122.5°
C34C35H2120.7°122.6°
C36C35H2120.7°122.5°
C35C36H3128.9°125.2°
H8C1H9109.5°109.4°
H8C1H10109.5°109.5°
H9C1H10109.5°109.5°
H12C4H13109.4°109.6°
H15C6H16109.5°109.6°
H20C12H21109.5°109.5°
H20C12H22109.4°109.5°
H21C12H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S44C43C42H6180.0°179.8°
S44C43C42C410.1°0.2°
C43S44C32C410.4°0.3°
C43S44C32C30179.1°180.0°
S44C43C42H5179.9°179.8°
C32S44C43C420.2°0.3°
S44C32C41C420.6°0.2°
S44C32C41C30178.8°179.7°
S44C32C30O3321.6°149.7°
S44C32C30C2897.2°90.3°
S44C32C30C31144.9°29.7°
S44C32C41H4179.4°179.7°
C32S44C43H6179.8°179.9°
C43C42C41H5180.0°180.0°
C43C42C41C320.5°0.0°
C43C42C41H4179.5°180.0°
C7C6C5H15120.1°120.2°
C7C6C5H16120.1°119.2°
C6C7C8N2122.6°113.5°
C6C7C8H17117.4°124.9°
C6C7N2H17125.6°123.1°
C6C7C8O10154.9°148.8°
C6C7C8C993.9°88.2°
C6C7N2C12170.3°168.8°
C6C7N2C150.2°45.9°
C6C7N2C369.9°73.4°
C7C6C5O1186.4°65.1°
C7C6C5C433.0°54.9°
C7C6C5H14154.4°175.0°
C7C6H15H16119.7°120.3°
C6C7C8H1839.6°53.9°
C5C6C7C863.3°46.6°
C5C6C7N253.2°65.3°
C6C5O11C2874.2°89.8°
C6C5O11C4124.4°120.2°
C6C5O11H14118.4°119.8°
C6C5C4H14121.3°120.0°
C6C5C4C335.2°54.0°
C6C5C4H12155.3°65.8°
C6C5C4H1384.9°173.9°
C5C6H15H16119.8°120.2°
C5C6C7H17179.5°171.6°
O29C28C30C32111.4°95.3°
O29C28C30O3310.3°144.7°
O29C28C30O11177.7°179.7°
O29C28C30C31130.4°24.7°
O29C28O11C54.0°0.3°
C8C7N2H17118.9°121.8°
C7C8O10C986.5°90.2°
C7C8O10H18165.2°156.8°
C7C8C9H18132.8°139.4°
C8C7N2C1274.2°76.1°
C8C7N2C1165.7°160.9°
C8C7N2C345.5°41.6°
C7C8C9C31.2°0.0°
C8C7C6H1556.8°167.5°
C8C7C6H16176.6°72.2°
C7C8C9H19133.1°139.0°
N2C7C8O1032.3°35.3°
N2C7C8C928.7°25.2°
C7N2C12C1125.1°122.9°
C7N2C12C3112.0°113.7°
C7N2C1C3113.2°114.5°
C7N2C3C944.3°41.6°
C7N2C3C471.9°72.5°
C7N2C1H8180.0°60.5°
C7N2C1H960.0°179.6°
C7N2C1H1060.0°59.5°
C7N2C3H11163.1°163.6°
N2C7C6H15173.2°55.6°
N2C7C6H1666.9°175.9°
N2C7C8H18162.1°167.4°
C7N2C12H20180.0°55.4°
C7N2C12H2160.0°64.6°
C7N2C12H2260.0°175.5°
C42C41C32H4180.0°180.0°
C42C41C32C30179.4°180.0°
C41C42C43H6179.9°179.9°
C41C32C30O33156.8°30.0°
C41C32C30C2884.4°90.0°
C41C32C30C3133.4°150.0°
C32C41C42H5179.5°180.0°
C32C30O33C28120.1°120.0°
C32C30O33C31121.9°120.1°
C32C30C28C31118.2°120.0°
C32C30C28O1170.9°85.0°
C32C30C31S3762.0°30.0°
C32C30C31C34115.8°150.3°
C30C32C41H40.6°0.0°
C32C30O33H7115.6°180.0°
O33C30C28C31120.1°120.0°
O33C30C28O11167.4°35.0°
O33C30C31S3761.7°150.1°
O33C30C31C34120.5°30.2°
O10C8C9H18110.1°106.6°
O10C8C9C3116.0°113.9°
O10C8C7H1787.7°86.4°
O10C8C9H19109.7°107.1°
C8C9C3N226.7°25.1°
C8C9C3H19134.9°141.1°
C8C9C3C494.8°88.6°
C8C9C3H11146.8°147.5°
C9C8C7H17148.7°146.9°
C30C28O11C5178.3°180.0°
C28C30C31S37179.3°90.0°
C28C30C31C343.0°89.7°
C28C30O33H74.6°60.0°
O11C28C30C3147.3°155.0°
C28O11C5C4161.4°150.0°
C28O11C5H1444.2°30.0°
C30C31S37C34178.2°179.8°
C30C31S37C36178.9°179.8°
C30C31C34C35179.0°179.8°
C30C31C34H11.0°0.2°
C31C30O33H7122.6°59.9°
C12N2C1C3123.3°122.6°
C12N2C3C974.8°76.6°
C12N2C3C4169.0°169.3°
C12N2C1H856.5°62.4°
C12N2C1H9176.5°57.5°
C12N2C1H1063.5°177.6°
C12N2C3H1144.1°45.4°
C12N2C7H1744.7°45.7°
N2C12H20H21120.0°120.0°
N2C12H20H22120.0°120.0°
N2C12H21H22120.0°120.0°
C1N2C3C9166.1°160.4°
C1N2C3C449.8°46.3°
N2C1H8H9120.0°120.0°
N2C1H8H10120.0°120.0°
N2C1H9H10120.0°120.1°
C1N2C3H1175.1°77.6°
C1N2C7H1775.4°77.2°
C1N2C12H2054.9°67.5°
C1N2C12H2165.1°172.5°
C1N2C12H22174.9°52.5°
N2C3C9O1035.1°35.4°
N2C3C4C557.7°63.4°
N2C3C9C4121.5°113.7°
N2C3C9H11120.1°122.3°
N2C3C4H11125.7°124.3°
C3N2C1H866.8°175.0°
C3N2C1H953.2°65.1°
C3N2C1H10173.2°55.0°
N2C3C4H12177.8°56.4°
N2C3C4H1362.3°176.6°
C3N2C7H17164.5°163.5°
N2C3C9H19161.6°166.2°
C3N2C12H2068.0°169.1°
C3N2C12H21172.0°49.1°
C3N2C12H2252.0°70.9°
O10C9C3H19163.3°158.3°
O10C9C3C4156.6°149.1°
O10C9C3H1185.0°86.9°
O11C5C4H14118.0°119.9°
O11C5C4C385.6°66.0°
O11C5C4H1234.6°174.2°
O11C5C4H13154.4°53.8°
O11C5C6H1533.7°174.6°
O11C5C6H16153.5°54.1°
C5C4C3C958.4°48.2°
C5C4C3H12120.1°119.8°
C5C4C3H13120.1°119.9°
C5C4C3H11176.6°172.3°
C5C4H12H13119.7°120.4°
C4C5C6H15153.1°65.3°
C4C5C6H1687.1°174.1°
C9C3C4H11118.2°124.0°
C9C3C4H1261.7°168.1°
C9C3C4H13178.5°71.7°
C3C9C8H18134.0°139.4°
C3C4H12H13119.7°120.2°
C3C4C5H14156.4°174.0°
C4C3C9H1940.1°52.6°
S37C31C34C350.8°0.0°
C31S37C36C350.5°0.0°
S37C31C34H1179.2°180.0°
C31S37C36H3179.6°179.9°
C34C31S37C360.7°0.0°
C31C34C35H1180.0°180.0°
C31C34C35C360.5°0.0°
C31C34C35H2179.5°180.0°
S37C36C35C340.1°0.0°
S37C36C35H3180.0°180.0°
S37C36C35H2179.9°180.0°
C34C35C36H2180.0°180.0°
C34C35C36H3179.9°180.0°
C36C35C34H1179.5°180.0°
H1C34C35H20.5°0.0°
H2C35C36H30.1°0.1°
H4C41C42H50.5°0.0°
H5C42C43H60.1°0.1°
H8C1H9H10120.0°120.0°
H11C3C4H1256.5°67.9°
H11C3C4H1363.3°52.3°
H11C3C9H1978.4°71.4°
H12C4C5H1483.5°54.2°
H13C4C5H1436.3°66.1°
H14C5C6H1585.6°54.8°
H14C5C6H1634.3°65.8°
H15C6C7H1760.4°67.5°
H16C6C7H1759.4°52.8°
H17C7C8H1877.8°71.0°
H18C8C9H190.4°0.4°
H20C12H21H22120.0°120.0°

223790

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