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Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C12O11sing1.43Å1.41Å
C14C13sing1.53Å1.46Å
C14C15sing1.53Å1.53Å
O11C10sing1.43Å1.41Å
C13C10sing1.53Å1.46Å
C10C09sing1.53Å1.53Å
C15N08sing1.47Å1.52Å
N08C09sing1.47Å1.52Å
N08S06sing1.66Å1.68Å
O16S06doub1.42Å1.46Å
S06O07doub1.42Å1.47Å
S06C05sing1.76Å1.81Å
C05C17doub1.38Å1.38ÅAromatic
C05C04sing1.38Å1.38ÅAromatic
C17C18sing1.38Å1.37ÅAromatic
C04C03doub1.38Å1.38ÅAromatic
C18C02doub1.40Å1.38ÅAromatic
C03C02sing1.40Å1.38ÅAromatic
C02C01sing1.47Å1.52Å
C01H1sing1.08Å1.08Å
C03H4sing1.08Å1.08Å
C04H5sing1.08Å1.08Å
C09H6sing1.09Å1.10Å
C09H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C17H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C01O1doub1.21Å1.42Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C12O11C10115.6°114.0°
O11C12H9109.5°109.5°
O11C12H10109.5°109.5°
O11C12H11109.5°109.5°
C13C14C15110.0°109.3°
C14C13C10112.4°109.5°
C14C13H12108.7°109.5°
C14C13H13108.7°109.4°
C13C14H14109.3°109.5°
C13C14H15109.3°109.6°
C14C15N08109.4°108.9°
C15C14H14109.3°109.4°
C15C14H15109.3°109.5°
C14C15H16109.5°109.6°
C14C15H17109.5°109.5°
O11C10C13109.3°109.5°
O11C10C09110.1°109.5°
O11C10H8109.3°109.5°
C13C10C09111.7°109.3°
C13C10H8108.7°109.5°
C10C13H12108.7°109.5°
C10C13H13108.7°109.5°
C10C09N08112.4°108.9°
C10C09H6108.7°109.6°
C10C09H7108.8°109.6°
C09C10H8107.7°109.5°
C15N08C09111.3°118.7°
C15N08S06125.9°120.7°
N08C15H16109.5°109.5°
N08C15H17109.5°109.6°
C09N08S06120.1°120.6°
N08C09H6108.8°109.6°
N08C09H7108.7°109.6°
N08S06O16122.0°106.4°
N08S06O07106.5°106.4°
N08S06C0599.3°107.2°
O16S06O07110.9°123.2°
O16S06C05109.9°106.4°
O07S06C05106.8°106.4°
S06C05C17116.6°119.8°
S06C05C04120.8°119.9°
C17C05C04122.6°120.3°
C05C17C18119.0°120.2°
C05C17H18120.5°119.9°
C05C04C03118.5°120.2°
C05C04H5120.8°119.9°
C17C18C02119.0°119.8°
C18C17H18120.5°119.9°
C17C18H19120.5°120.1°
C04C03C02119.0°119.8°
C04C03H4120.5°120.1°
C03C04H5120.7°119.9°
C18C02C03121.8°119.6°
C18C02C01114.7°120.2°
C02C18H19120.5°120.1°
C03C02C01123.4°120.2°
C02C03H4120.5°120.1°
C02C01H1123.6°120.0°
C02C01O1112.8°120.0°
H1C01O1123.6°120.0°
H6C09H7109.5°109.6°
H9C12H10109.5°109.4°
H9C12H11109.5°109.5°
H10C12H11109.5°109.4°
H12C13H13109.5°109.5°
H14C14H15109.5°109.6°
H16C15H17109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C12O11C10C13131.5°90.2°
C12O11C10C09105.5°150.0°
C12O11C10H812.7°29.9°
O11C12H9H10120.0°120.0°
O11C12H9H11120.0°120.0°
O11C12H10H11120.0°120.0°
C13C14C15H14120.1°119.9°
C13C14C15H15120.1°120.0°
C14C13C10O1165.8°178.6°
C14C13C10H12120.4°120.0°
C14C13C10H13120.4°120.0°
C14C13C10C0956.2°61.4°
C13C14C15N0860.1°54.6°
C14C13C10H8175.0°58.6°
C14C13H12H13118.7°120.0°
C13C14H14H15119.8°120.2°
C13C14C15H16179.9°65.1°
C13C14C15H1759.9°174.4°
C15C14C13C1062.0°61.4°
C14C15N08H16120.0°119.8°
C14C15N08H17120.0°119.8°
C14C15N08C0954.1°53.4°
C14C15N08S06144.5°126.4°
C15C14C13H1258.5°58.6°
C15C14C13H13177.6°178.6°
C15C14H14H15119.7°120.1°
C14C15H16H17120.1°120.3°
O11C10C13C09122.1°120.0°
O11C10C13H8119.2°120.0°
O11C10C09H8119.1°120.1°
O11C10C09N0872.1°174.5°
O11C10C09H6167.5°65.6°
O11C10C09H748.3°54.7°
C10O11C12H9180.0°60.0°
C10O11C12H1060.0°60.0°
C10O11C12H1160.0°180.0°
O11C10C13H12173.7°61.3°
O11C10C13H1354.6°58.7°
C13C10C09H8119.3°120.0°
C13C10C09N0849.5°54.6°
C13C10C09H670.9°174.4°
C13C10C09H7170.0°65.3°
C10C13H12H13118.7°120.0°
C10C13C14H1458.1°178.7°
C10C13C14H15177.9°58.6°
C10C09N08C1549.4°53.4°
C10C09N08H6120.4°119.8°
C10C09N08H7120.4°119.8°
C10C09N08S06148.0°126.4°
C10C09H6H7118.7°120.3°
C09C10C13H1264.2°58.7°
C09C10C13H13176.7°178.6°
C15N08C09S06162.6°179.8°
C15N08S06O1638.7°156.4°
C15N08S06O07167.4°23.5°
C15N08S06C0581.9°90.0°
C15N08C09H671.0°173.2°
C15N08C09H7169.8°66.5°
N08C15C14H1460.0°174.5°
N08C15C14H15179.8°65.4°
N08C15H16H17120.0°120.3°
C09N08S06O16161.4°23.8°
C09N08S06O0732.7°156.7°
C09N08S06C0578.0°89.8°
N08C09H6H7118.7°120.3°
N08C09C10H8168.8°65.4°
C09N08C15H16174.1°66.4°
C09N08C15H1765.9°173.2°
N08S06O16O07126.7°122.9°
N08S06O16C05115.4°114.1°
N08S06O07C05105.4°114.1°
N08S06C05C1777.1°90.0°
N08S06C05C04100.3°89.7°
S06N08C09H691.6°6.6°
S06N08C09H727.6°113.8°
S06N08C15H1624.5°113.8°
S06N08C15H1795.5°6.6°
O16S06O07C05119.7°123.0°
O16S06C05C1752.0°23.6°
O16S06C05C04130.6°156.7°
O07S06C05C17172.4°156.5°
O07S06C05C0410.2°23.8°
S06C05C17C04177.3°179.7°
S06C05C17C18178.7°180.0°
S06C05C04C03179.2°179.7°
S06C05C04H50.8°0.2°
S06C05C17H181.3°0.3°
C05C17C18H18180.0°179.7°
C17C05C04C032.0°0.0°
C05C17C18C021.0°0.5°
C17C05C04H5178.0°179.9°
C05C17C18H19179.0°179.9°
C04C05C17C181.4°0.3°
C05C04C03H5180.0°179.9°
C05C04C03C020.3°0.0°
C05C04C03H4179.8°180.0°
C04C05C17H18178.6°180.0°
C17C18C02H19180.0°179.5°
C17C18C02C032.7°0.5°
C17C18C02C01179.9°179.8°
C04C03C02C182.0°0.2°
C04C03C02H4180.0°180.0°
C04C03C02C01179.3°179.9°
C18C02C03C01177.2°179.7°
C18C02C01H111.3°0.3°
C18C02C03H4177.9°179.8°
C02C18C17H18179.1°179.7°
C18C02C01O1168.7°179.5°
C03C02C01H1166.2°180.0°
C02C03C04H5179.7°180.0°
C03C02C18H19177.3°179.9°
C03C02C01O113.9°0.2°
C02C01H1O1180.0°179.8°
C01C02C03H40.7°0.1°
C01C02C18H190.2°0.2°
H4C03C04H50.2°0.0°
H6C09C10H848.4°54.4°
H7C09C10H870.7°174.7°
H8C10C13H1254.5°178.7°
H8C10C13H1364.6°61.4°
H9C12H10H11120.0°120.0°
H12C13C14H14178.6°61.2°
H12C13C14H1561.6°178.6°
H13C13C14H1462.3°58.7°
H13C13C14H1557.5°61.4°
H14C14C15H1660.0°54.8°
H14C14C15H17180.0°65.7°
H15C14C15H1659.8°174.9°
H15C14C15H1760.2°54.4°
H18C17C18H191.0°0.2°

223790

PDB entries from 2024-08-14

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