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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O5S1doub1.42Å1.44Å
S1O4doub1.42Å1.44Å
S1C19sing1.82Å1.76Å
S1C20sing1.82Å1.76Å
C19C18sing1.53Å1.52Å
C18C17sing1.53Å1.52Å
C20C21sing1.53Å1.53Å
C21C17sing1.53Å1.52Å
C17N1sing1.47Å1.46Å
N1C16sing1.35Å1.34Å
C16O3doub1.22Å1.23Å
C16C14sing1.47Å1.48Å
C14C13doub1.34Å1.37ÅAromatic
C14Ssing1.76Å1.74ÅAromatic
C13C12sing1.40Å1.42ÅAromatic
SC15sing1.76Å1.73ÅAromatic
C15C12doub1.40Å1.38ÅAromatic
C15C8sing1.47Å1.45Å
C12C11sing1.47Å1.44Å
C11O2doub1.22Å1.22Å
C11Nsing1.34Å1.39Å
NC10sing1.47Å1.46Å
NC9sing1.36Å1.36Å
C9C8doub1.36Å1.36Å
C8C4sing1.48Å1.49Å
C4C3sing1.39Å1.39ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
C3C2doub1.38Å1.39ÅAromatic
C2C1sing1.39Å1.39ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C6O1sing1.36Å1.37Å
C6C1doub1.39Å1.41ÅAromatic
O1C7sing1.43Å1.43Å
C1Osing1.36Å1.37Å
OCsing1.43Å1.43Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
N1H1sing0.97Å1.00Å
C13H13sing1.08Å1.08Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C10H103sing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
C7H73Csing1.09Å1.10Å
CHC1sing1.09Å1.10Å
CHC2sing1.09Å1.10Å
CHC3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O5S1O4118.2°119.3°
O5S1C19109.0°108.6°
O5S1C20109.1°108.7°
O4S1C19109.2°108.7°
O4S1C20109.3°108.7°
C19S1C20100.6°101.4°
S1C19C18108.1°109.0°
S1C19H191109.8°109.6°
S1C19H192109.8°109.6°
S1C20C21110.9°109.0°
S1C20H201109.1°109.5°
S1C20H202109.1°109.6°
C19C18C17112.5°110.0°
C18C19H191109.8°109.5°
C18C19H192109.8°109.5°
C19C18H181108.7°109.4°
C19C18H182108.7°109.4°
C18C17C21111.0°110.7°
C18C17N1110.1°109.2°
C17C18H181108.7°109.4°
C17C18H182108.7°109.4°
C18C17H17107.8°109.3°
C20C21C17116.3°109.9°
C21C20H201109.1°109.6°
C21C20H202109.1°109.6°
C20C21H211107.8°109.4°
C20C21H212107.7°109.4°
C21C17N1111.7°109.2°
C21C17H17107.7°109.3°
C17C21H211107.7°109.5°
C17C21H212107.8°109.3°
C17N1C16122.3°120.0°
N1C17H17108.4°109.2°
C17N1H1118.9°120.0°
N1C16O3122.9°120.0°
N1C16C14117.1°120.0°
C16N1H1118.9°120.0°
O3C16C14119.9°120.0°
C16C14C13132.4°124.7°
C16C14S116.3°124.8°
C13C14S111.2°110.5°
C14C13C12113.2°115.6°
C14C13H13123.4°122.2°
C14SC1591.7°91.5°
C13C12C15112.5°112.7°
C13C12C11124.5°129.8°
C12C13H13123.4°122.2°
SC15C12111.3°109.7°
SC15C8129.5°131.5°
C12C15C8119.2°118.8°
C15C12C11123.0°117.5°
C15C8C9116.4°119.7°
C15C8C4123.1°120.2°
C12C11O2125.1°119.9°
C12C11N115.1°120.2°
O2C11N119.9°119.9°
C11NC10117.3°118.9°
C11NC9121.8°122.3°
C10NC9120.9°118.8°
NC10H101109.5°109.4°
NC10H102109.5°109.5°
NC10H103109.5°109.5°
NC9C8124.5°121.4°
NC9H9117.8°119.3°
C9C8C4120.5°120.1°
C8C9H9117.8°119.2°
C8C4C3120.8°120.0°
C8C4C5120.1°120.1°
C3C4C5119.1°119.9°
C4C3C2121.2°120.0°
C4C3H3119.4°120.0°
C4C5C6120.3°119.9°
C4C5H5119.8°120.1°
C3C2C1119.7°120.1°
C2C3H3119.4°120.0°
C3C2H2120.1°119.9°
C2C1C6119.7°120.1°
C2C1O124.8°120.0°
C1C2H2120.2°120.0°
C5C6O1124.5°120.0°
C5C6C1120.0°120.0°
C6C5H5119.8°120.0°
O1C6C1115.5°120.1°
C6O1C7117.7°117.0°
C6C1O115.5°119.9°
O1C7H71C109.5°109.5°
O1C7H72C109.5°109.5°
O1C7H73C109.5°109.5°
C1OC117.6°117.0°
OCHC1109.5°109.5°
OCHC2109.5°109.5°
OCHC3109.4°109.4°
H191C19H192109.4°109.6°
H201C20H202109.5°109.6°
H181C18H182109.5°109.3°
H211C21H212109.5°109.3°
H101C10H102109.5°109.5°
H101C10H103109.5°109.5°
H102C10H103109.5°109.5°
H71CC7H72C109.5°109.5°
H71CC7H73C109.4°109.5°
H72CC7H73C109.5°109.4°
HC1CHC2109.4°109.5°
HC1CHC3109.5°109.5°
HC2CHC3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O5S1O4C19125.3°125.2°
O5S1O4C20125.5°125.3°
O5S1C19C20114.6°114.4°
O5S1C19C1854.5°168.6°
O5S1C20C2161.1°168.6°
O5S1C19H191174.3°71.5°
O5S1C19H19265.3°48.8°
O5S1C20H20159.1°48.7°
O5S1C20H202178.7°71.5°
O4S1C19C20114.9°114.4°
O4S1C19C18175.0°60.2°
O4S1C20C21168.4°60.1°
O4S1C19H19155.2°59.7°
O4S1C19H19265.2°179.9°
O4S1C20H20171.4°180.0°
O4S1C20H20248.2°59.8°
S1C19C18H191119.8°119.9°
S1C19C18H192119.8°119.8°
S1C19C18C1767.7°63.6°
C19S1C20C2153.5°54.3°
S1C19H191H192120.6°120.3°
C19S1C20H201173.7°65.6°
C19S1C20H20266.7°174.1°
S1C19C18H181171.8°56.5°
S1C19C18H18252.7°176.2°
C20S1C19C1860.1°54.2°
S1C20C21H201120.2°119.9°
S1C20C21H202120.2°119.9°
S1C20C21C1754.4°63.5°
C20S1C19H19159.7°174.1°
C20S1C19H192179.9°65.6°
S1C20H201H202119.4°120.2°
S1C20C21H21166.6°176.2°
S1C20C21H212175.4°56.5°
C19C18C17H181120.4°120.1°
C19C18C17H182120.4°120.2°
C19C18C17C2161.3°70.0°
C19C18C17N162.9°169.7°
C18C19H191H192120.6°120.2°
C19C18H181H182118.6°119.8°
C19C18C17H17179.1°50.3°
C18C17C21C2054.5°70.0°
C18C17C21N1123.3°120.3°
C18C17C21H17117.8°120.4°
C18C17N1H17117.7°119.4°
C18C17N1C1677.0°155.0°
C17C18C19H19152.1°176.5°
C17C18C19H192172.5°56.2°
C17C18H181H182118.6°119.8°
C18C17C21H21166.5°169.8°
C18C17C21H212175.5°50.1°
C18C17N1H1103.0°25.1°
C20C21C17H211121.0°120.2°
C20C21C17H212121.0°120.1°
C20C21C17N168.8°169.8°
C21C20H201H202119.4°120.2°
C20C21C17H17172.3°50.4°
C20C21H211H212116.9°119.8°
C21C17N1H17118.5°119.4°
C21C17N1C16159.2°83.8°
C17C21C20H201174.6°56.3°
C17C21C20H20265.8°176.6°
C21C17C18H181178.2°50.1°
C21C17C18H18259.1°169.8°
C17C21H211H212116.9°119.7°
C21C17N1H120.8°96.1°
C17N1C16H1180.0°179.9°
C17N1C16O32.8°0.1°
C17N1C16C14179.9°180.0°
N1C17C18H18157.6°70.2°
N1C17C18H182176.7°49.5°
N1C17C21H211170.2°49.6°
N1C17C21H21252.2°70.2°
N1C16O3C14177.0°179.9°
N1C16C14C133.1°179.9°
N1C16C14S179.2°0.4°
C16N1C17H1740.7°35.6°
O3C16C14C13174.0°0.0°
O3C16C14S3.7°179.7°
O3C16N1H1177.2°180.0°
C16C14C13S177.8°179.7°
C16C14C13C12178.1°180.0°
C16C14SC15178.3°180.0°
C14C16N1H10.1°0.1°
C16C14C13H132.0°0.0°
C14C13C12H13180.0°180.0°
C13C14SC150.1°0.3°
C14C13C12C150.3°0.1°
C14C13C12C11179.2°180.0°
SC14C13C120.3°0.3°
C14SC15C120.1°0.2°
C14SC15C8180.0°180.0°
SC14C13H13179.7°179.7°
C13C12C15S0.2°0.1°
C13C12C15C11179.5°179.9°
C13C12C15C8179.8°179.9°
C13C12C11O22.0°0.0°
C13C12C11N180.0°180.0°
SC15C12C8180.0°179.8°
SC15C12C11179.3°179.8°
SC15C8C9179.4°180.0°
SC15C8C42.3°0.1°
C15C12C11O2177.5°179.9°
C15C12C11N0.6°0.1°
C12C15C8C90.5°0.2°
C12C15C8C4177.7°179.8°
C15C12C13H13179.7°179.9°
C8C15C12C110.7°0.0°
C15C8C9N0.3°0.4°
C15C8C9C4178.3°180.0°
C15C8C4C3136.6°65.0°
C15C8C4C542.2°114.7°
C15C8C9H9179.7°179.9°
C12C11O2N178.0°180.0°
C12C11NC10179.9°180.0°
C12C11NC90.3°0.1°
C11C12C13H130.8°0.0°
O2C11NC101.7°0.0°
O2C11NC9177.9°179.9°
C11NC10C9179.6°180.0°
C11NC9C80.2°0.3°
C11NC10H101180.0°0.0°
C11NC10H10260.0°120.0°
C11NC10H10360.0°120.0°
C11NC9H9179.8°180.0°
C10NC9C8179.8°179.7°
NC10H101H102120.0°120.0°
NC10H101H103120.0°120.0°
NC10H102H103120.0°120.0°
C10NC9H90.2°0.1°
NC9C8H9180.0°179.7°
NC9C8C4178.0°179.7°
C9NC10H1010.4°180.0°
C9NC10H102120.4°60.0°
C9NC10H103119.6°60.0°
C9C8C4C341.5°115.0°
C9C8C4C5139.6°65.2°
C8C4C3C5178.9°179.7°
C8C4C3C2178.8°180.0°
C8C4C5C6177.6°180.0°
C4C8C9H92.0°0.0°
C8C4C3H31.2°0.0°
C8C4C5H52.4°0.0°
C4C3C2H3180.0°180.0°
C4C3C2C10.4°0.0°
C3C4C5C61.3°0.2°
C3C4C5H5178.7°179.8°
C4C3C2H2179.5°180.0°
C5C4C3C20.0°0.3°
C4C5C6H5180.0°180.0°
C4C5C6O1176.7°180.0°
C4C5C6C12.0°0.1°
C5C4C3H3179.9°179.7°
C3C2C1H2180.0°180.0°
C3C2C1C60.3°0.3°
C3C2C1O179.3°180.0°
C2C1C6C51.5°0.4°
C2C1C6O1177.3°179.8°
C2C1C6O179.6°179.7°
C2C1OC27.0°0.0°
C1C2C3H3179.6°180.0°
C5C6O1C1178.8°179.9°
C5C6O1C717.9°0.1°
C5C6C1O178.1°179.9°
O1C6C1O3.1°0.1°
O1C6C5H53.3°0.0°
C6O1C7H71C180.0°60.0°
C6O1C7H72C60.0°60.1°
C6O1C7H73C60.0°180.0°
C1C6O1C7160.8°180.0°
C6C1OC152.5°179.7°
C1C6C5H5178.0°179.9°
C6C1C2H2179.7°179.7°
O1C7H71CH72C120.0°120.0°
O1C7H71CH73C120.0°120.0°
O1C7H72CH73C120.0°120.0°
OC1C2H20.7°0.0°
C1OCHC1180.0°60.0°
C1OCHC260.0°180.0°
C1OCHC360.0°60.0°
OCHC1HC2120.0°120.0°
OCHC1HC3120.0°120.0°
OCHC2HC3120.0°120.0°
H191C19C18H18168.3°63.4°
H191C19C18H182172.5°56.3°
H192C19C18H18152.0°176.3°
H192C19C18H18267.1°64.0°
H201C20C21H21153.6°63.9°
H201C20C21H21264.4°176.4°
H202C20C21H211173.2°56.3°
H202C20C21H21255.3°63.4°
H181C18C17H1760.5°170.4°
H182C18C17H1758.6°69.9°
H17C17C21H21151.3°69.8°
H17C17C21H21266.7°170.5°
H17C17N1H1139.3°144.5°
H101C10H102H103120.0°120.0°
H3C3C2H20.4°0.0°
H71CC7H72CH73C120.0°120.0°
HC1CHC2HC3120.0°120.0°

225946

PDB entries from 2024-10-09

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