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2SH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O28C29sing1.43Å1.44Å
O28C27sing1.43Å1.44Å
C29C30sing1.53Å1.54Å
C27C26sing1.53Å1.54Å
O10C9sing1.43Å1.42Å
C30C25sing1.53Å1.55Å
C9C7sing1.53Å1.53Å
C26C25sing1.53Å1.55Å
C25N24sing1.47Å1.47Å
CL1C4sing1.74Å1.74Å
C7C6sing1.51Å1.51Å
C7N11sing1.47Å1.46Å
C5C6doub1.38Å1.40ÅAromatic
C5C4sing1.38Å1.39ÅAromatic
C6C1sing1.38Å1.39ÅAromatic
N24C20sing1.38Å1.38Å
C4C3doub1.39Å1.39ÅAromatic
N11C12sing1.35Å1.35Å
N21C20doub1.32Å1.33ÅAromatic
N21C22sing1.33Å1.33ÅAromatic
C20N19sing1.32Å1.33ÅAromatic
C1C2doub1.38Å1.39ÅAromatic
C23C22sing1.51Å1.51Å
C23N14sing1.47Å1.49Å
C3C2sing1.38Å1.40ÅAromatic
C3F32sing1.35Å1.35Å
C22C17doub1.38Å1.38ÅAromatic
C12N14sing1.35Å1.36Å
C12O13doub1.22Å1.23Å
N14C15sing1.47Å1.48Å
N19C18doub1.32Å1.33ÅAromatic
C17C18sing1.39Å1.39ÅAromatic
C17C16sing1.50Å1.50Å
C15C16sing1.53Å1.52Å
C5H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C26H5sing1.09Å1.10Å
C26H6sing1.09Å1.10Å
C1H7sing1.08Å1.08Å
C2H8sing1.08Å1.08Å
C9H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
O10H11sing0.97Å0.95Å
N11H12sing0.97Å1.00Å
C16H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C18H15sing1.08Å1.08Å
C23H16sing1.09Å1.10Å
C23H17sing1.09Å1.10Å
N24H18sing0.97Å1.00Å
C25H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C29H22sing1.09Å1.10Å
C29H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
C30H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29O28C27116.8°114.1°
O28C29C30108.5°109.4°
O28C29H22109.7°109.5°
O28C29H23109.7°109.5°
O28C27C26108.2°109.4°
O28C27H20109.8°109.5°
O28C27H21109.8°109.5°
C29C30C25109.7°109.2°
C30C29H22109.7°109.5°
C30C29H23109.7°109.5°
C29C30H24109.4°109.5°
C29C30H25109.4°109.5°
C27C26C25108.5°109.1°
C27C26H5109.7°109.5°
C27C26H6109.7°109.6°
C26C27H20109.8°109.5°
C26C27H21109.8°109.5°
O10C9C7108.7°109.5°
O10C9H9109.7°109.5°
O10C9H10109.7°109.4°
C9O10H11109.5°114.1°
C30C25C26111.7°109.1°
C30C25N24110.0°109.6°
C30C25H19109.1°109.6°
C25C30H24109.4°109.6°
C25C30H25109.4°109.5°
C9C7C6114.3°109.4°
C9C7N11107.5°109.5°
C9C7H2109.9°109.5°
C7C9H9109.7°109.5°
C7C9H10109.7°109.5°
C26C25N24106.5°109.5°
C25C26H5109.7°109.5°
C25C26H6109.7°109.5°
C26C25H19109.2°109.5°
C25N24C20123.4°120.0°
C25N24H18105.9°120.0°
N24C25H19110.2°109.5°
CL1C4C5119.1°120.0°
CL1C4C3121.3°120.1°
C6C7N11104.2°109.4°
C7C6C5120.2°120.0°
C7C6C1120.0°120.0°
C6C7H2110.0°109.5°
C7N11C12125.3°120.0°
N11C7H2110.8°109.4°
C7N11H12117.4°120.0°
C6C5C4121.0°120.0°
C5C6C1119.3°120.0°
C6C5H1119.5°120.0°
C5C4C3119.6°119.9°
C4C5H1119.5°120.0°
C6C1C2119.9°120.1°
C6C1H7120.1°119.9°
N24C20N21120.3°119.3°
N24C20N19117.4°119.3°
C20N24H18105.9°120.0°
C4C3C2119.7°120.0°
C4C3F32119.9°120.0°
N11C12N14117.4°120.0°
N11C12O13120.9°120.0°
C12N11H12117.4°120.0°
C20N21C22120.5°120.9°
N21C20N19122.2°121.4°
N21C22C23117.9°118.5°
N21C22C17118.8°119.1°
C20N19C18120.0°120.7°
C1C2C3120.4°120.0°
C2C1H7120.0°120.0°
C1C2H8119.8°120.0°
C22C23N14112.6°109.5°
C23C22C17123.3°122.4°
C22C23H16108.7°109.4°
C22C23H17108.7°109.5°
C23N14C12120.6°121.3°
C23N14C15119.1°117.5°
N14C23H16108.7°109.5°
N14C23H17108.7°109.5°
C2C3F32120.4°120.1°
C3C2H8119.8°120.0°
C22C17C18119.0°118.5°
C22C17C16123.5°123.0°
N14C12O13121.6°120.0°
C12N14C15119.8°121.3°
N14C15C16114.8°108.0°
N14C15H3108.1°109.8°
N14C15H4108.1°109.8°
N19C18C17119.4°119.4°
N19C18H15120.3°120.3°
C18C17C16117.4°118.5°
C17C18H15120.3°120.3°
C17C16C15110.3°110.8°
C17C16H13109.2°109.2°
C17C16H14109.2°109.2°
C16C15H3108.1°109.7°
C16C15H4108.1°109.8°
C15C16H13109.3°109.2°
C15C16H14109.3°109.2°
H3C15H4109.5°109.8°
H5C26H6109.5°109.6°
H9C9H10109.4°109.4°
H13C16H14109.5°109.1°
H16C23H17109.5°109.5°
H20C27H21109.5°109.5°
H22C29H23109.5°109.5°
H24C30H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O28C29C30H22119.8°120.0°
O28C29C30H23119.9°120.0°
C29O28C27C2663.3°61.2°
O28C29C30C2553.1°57.6°
C29O28C27H20176.9°58.8°
C29O28C27H2156.5°178.9°
O28C29H22H23120.4°120.0°
O28C29C30H24173.1°62.3°
O28C29C30H2566.9°177.5°
C27O28C29C3061.1°61.2°
O28C27C26H20119.8°120.0°
O28C27C26H21119.8°119.9°
O28C27C26C2556.7°57.6°
O28C27C26H563.2°177.5°
O28C27C26H6176.5°62.3°
O28C27H20H21120.6°120.0°
C27O28C29H2258.8°58.8°
C27O28C29H23179.0°178.8°
C29C30C25H24120.0°119.9°
C29C30C25H25120.0°119.9°
C29C30C25C2653.8°57.0°
C29C30C25N24171.9°176.9°
C29C30C25H1967.0°62.9°
C30C29H22H23120.4°120.0°
C29C30H24H25119.9°120.1°
C27C26C25C3055.4°57.0°
C27C26C25H5119.8°119.8°
C27C26C25H6119.8°120.0°
C27C26C25N24175.6°176.9°
C27C26H5H6120.4°120.2°
C27C26C25H1965.4°63.0°
C26C27H20H21120.6°120.0°
O10C9C7H9119.9°120.0°
O10C9C7H10119.9°120.0°
O10C9C7C665.1°55.0°
O10C9C7N11179.7°65.0°
O10C9C7H259.2°175.0°
O10C9H9H10120.4°119.9°
C30C25C26N24120.2°119.9°
C30C25C26H19120.8°120.0°
C30C25N24H19120.4°120.3°
C30C25N24C2070.8°85.4°
C30C25C26H564.5°176.8°
C30C25C26H6175.2°63.0°
C30C25N24H1851.2°94.6°
C25C30C29H2266.8°62.4°
C25C30C29H23172.9°177.6°
C25C30H24H25119.9°120.2°
C9C7C6N11117.0°120.0°
C9C7C6H2124.2°120.1°
C9C7N11H2120.0°120.1°
C9C7C6C562.4°100.1°
C9C7C6C1125.1°79.9°
C9C7N11C12143.0°85.0°
C7C9H9H10120.3°120.0°
C7C9O10H11180.0°180.0°
C9C7N11H1237.0°94.9°
C26C25N24H19118.3°120.2°
C26C25N24C20168.0°155.0°
C25C26H5H6120.5°120.2°
C26C25N24H1870.1°25.0°
C25C26C27H20176.5°62.4°
C25C26C27H2163.1°177.6°
C26C25C30H24173.8°62.9°
C26C25C30H2566.2°176.9°
C25N24C20H18121.9°180.0°
C25N24C20N219.4°179.9°
C25N24C20N19173.4°0.0°
N24C25C26H555.7°63.3°
N24C25C26H664.6°56.9°
N24C25C30H2468.1°57.0°
N24C25C30H2551.9°63.2°
CL1C4C5C6177.7°179.7°
CL1C4C5C3178.8°179.7°
CL1C4C3C2178.9°179.7°
CL1C4C3F320.6°0.3°
CL1C4C5H12.3°0.3°
C6C7N11H2118.3°120.0°
C7C6C5C1172.5°180.0°
C7C6C5C4176.8°180.0°
C6C7N11C1295.4°155.0°
C7C6C1C2176.5°180.0°
C7C6C5H13.2°0.0°
C7C6C1H73.6°0.0°
C6C7C9H9175.0°175.0°
C6C7C9H1054.8°65.0°
C6C7N11H1284.7°25.0°
N11C7C6C554.6°139.9°
N11C7C6C1117.9°40.0°
C7N11C12H12180.0°180.0°
C7N11C12N14177.2°174.8°
C7N11C12O134.2°5.1°
N11C7C9H959.8°55.1°
N11C7C9H1060.4°175.0°
C6C5C4H1180.0°180.0°
C6C5C4C33.5°0.0°
C5C6C1C24.0°0.0°
C5C6C7H2173.4°20.0°
C5C6C1H7176.1°180.0°
C4C5C6C14.3°0.0°
C5C4C3C22.3°0.0°
C5C4C3F32179.4°180.0°
C6C1C2H7180.0°180.0°
C6C1C2C32.8°0.1°
C1C6C5H1175.7°180.0°
C1C6C7H21.0°160.0°
C6C1C2H8177.2°180.0°
N24C20N21N19177.0°179.9°
N24C20N21C22178.5°179.9°
N24C20N19C18178.7°179.7°
C20N24C25H1949.7°34.8°
C4C3C2C12.0°0.0°
C4C3C2F32178.3°180.0°
C3C4C5H1176.5°180.0°
C4C3C2H8178.0°180.0°
N11C12N14C233.7°5.0°
N11C12N14O13178.6°179.9°
N11C12N14C15175.9°175.1°
C12N11C7H223.0°35.0°
C20N21C22C23179.6°178.8°
C20N21C22C171.3°0.6°
N21C20N19C181.7°0.4°
N21C20N24H18131.3°0.1°
C22N21C20N191.5°0.1°
N21C22C23C17179.1°179.4°
N21C22C23N14177.6°168.8°
N21C22C17C181.4°0.7°
N21C22C17C16177.6°179.0°
N21C22C23H1662.0°71.2°
N21C22C23H1757.1°48.8°
C20N19C18C171.7°0.2°
C20N19C18H15178.3°179.8°
N19C20N24H1851.5°180.0°
C1C2C3H8180.0°180.0°
C1C2C3F32179.7°179.9°
C22C23N14H16120.5°119.9°
C22C23N14H17120.5°120.0°
C22C23N14C12162.4°135.6°
C22C23N14C1525.3°44.5°
C23C22C17C18179.5°178.7°
C23C22C17C163.4°1.7°
C22C23H16H17118.6°120.0°
N14C23C22C173.4°11.8°
C23N14C12C15172.3°179.9°
C23N14C12O13177.7°175.1°
C23N14C15C1646.9°64.1°
C23N14C15H373.9°55.5°
C23N14C15H4167.7°176.3°
N14C23H16H17118.6°120.0°
C3C2C1H7177.2°180.0°
F32C3C2H80.3°0.0°
C22C17C18N191.7°0.3°
C22C17C18C16176.4°179.6°
C22C17C16C1522.7°20.0°
C22C17C16H1397.5°140.4°
C22C17C16H14142.8°100.3°
C22C17C18H15178.3°179.7°
C17C22C23H16117.1°108.2°
C17C22C23H17123.8°131.8°
C12N14C15C16140.7°116.0°
C12N14C15H398.5°124.4°
C12N14C15H419.9°3.7°
N14C12N11H122.8°5.1°
C12N14C23H1677.2°104.5°
C12N14C23H1741.9°15.5°
O13C12N14C155.4°4.9°
O13C12N11H12175.8°174.9°
N14C15C16C1742.6°47.1°
N14C15C16H3120.8°119.6°
N14C15C16H4120.8°119.7°
N14C15H3H4117.6°120.8°
N14C15C16H1377.5°167.5°
N14C15C16H14162.7°73.2°
C15N14C23H1695.2°75.4°
C15N14C23H17145.8°164.5°
N19C18C17H15180.0°179.9°
N19C18C17C16178.0°179.4°
C18C17C16C15161.2°160.3°
C18C17C16H1378.7°40.0°
C18C17C16H1441.0°79.3°
C17C16C15H13120.1°120.3°
C17C16C15H14120.1°120.4°
C17C16C15H378.2°72.5°
C17C16C15H4163.4°166.8°
C17C16H13H14119.6°119.3°
C16C17C18H152.0°0.7°
C16C15H3H4117.6°120.7°
C15C16H13H14119.7°119.4°
H2C7C9H960.7°64.9°
H2C7C9H10179.1°55.0°
H2C7N11H12157.0°145.0°
H3C15C16H13161.7°47.9°
H3C15C16H1441.9°167.2°
H4C15C16H1343.3°72.9°
H4C15C16H1476.5°46.4°
H5C26C25H19174.7°56.9°
H5C26C27H2056.6°57.5°
H5C26C27H21177.0°62.6°
H6C26C25H1954.4°177.0°
H6C26C27H2063.7°177.7°
H6C26C27H2156.7°57.6°
H7C1C2H82.8°0.0°
H9C9O10H1160.1°59.9°
H10C9O10H1160.1°60.0°
H18N24C25H19171.6°145.2°
H19C25C30H2453.0°177.1°
H19C25C30H25173.0°57.0°
H22C29C30H2453.3°177.7°
H22C29C30H25173.2°57.5°
H23C29C30H2467.0°57.6°
H23C29C30H2552.9°62.5°

222415

PDB entries from 2024-07-10

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