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O0O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.52Å
C1O1doub1.21Å1.25Å
C1N1sing1.35Å1.33Å
N1C3sing1.46Å1.46Å
C6C5sing1.53Å1.51Å
C6N2sing1.47Å1.47Å
C4C5sing1.53Å1.53Å
C4C20sing1.53Å1.53Å
C4C3sing1.53Å1.52Å
C19N2sing1.47Å1.48Å
C19C20sing1.53Å1.51Å
N2C7sing1.35Å1.35Å
C18C17sing1.53Å1.51Å
C18C8sing1.53Å1.54Å
C17N4sing1.47Å1.47Å
C7O2doub1.21Å1.21Å
C7C8sing1.51Å1.54Å
C8N3sing1.47Å1.45Å
C8C15sing1.53Å1.54Å
N4C16sing1.47Å1.47Å
N3C9sing1.40Å1.41Å
C15C16sing1.53Å1.50Å
C9C14doub1.39Å1.40ÅAromatic
C9C10sing1.39Å1.40ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C10C11doub1.38Å1.39ÅAromatic
C13C12doub1.38Å1.38ÅAromatic
C11C12sing1.38Å1.37ÅAromatic
C12CL2sing1.74Å1.74Å
C13H1sing1.08Å1.08Å
C14H2sing1.08Å1.08Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C16H5sing1.09Å1.10Å
C16H6sing1.09Å1.10Å
C11H7sing1.08Å1.08Å
C3H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C4H10sing1.09Å1.10Å
C5H11sing1.09Å1.10Å
C5H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C2CL1sing1.80Å1.07Å
N1H24sing0.97Å1.00Å
C6H25sing1.09Å1.10Å
C6H26sing1.09Å1.10Å
N3H27sing0.97Å1.00Å
C10H28sing1.08Å1.08Å
N4H23sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1122.5°120.0°
C2C1N1117.2°120.0°
C1C2H21109.5°109.5°
C1C2H22109.5°109.4°
C1C2CL1109.2°109.5°
O1C1N1120.1°120.0°
C1N1C3121.4°120.0°
C1N1H24119.3°120.0°
N1C3C4113.9°109.5°
N1C3H8108.3°109.5°
N1C3H9108.4°109.5°
C3N1H24119.3°120.0°
C5C6N2109.9°108.8°
C6C5C4111.5°109.3°
C6C5H11109.0°109.3°
C6C5H12108.9°109.7°
C5C6H25109.4°109.5°
C5C6H26109.3°109.5°
C6N2C19111.4°118.7°
C6N2C7125.8°120.6°
N2C6H25109.4°109.6°
N2C6H26109.4°109.6°
C5C4C20112.0°109.4°
C5C4C3112.6°109.4°
C5C4H10107.3°109.5°
C4C5H11109.0°109.5°
C4C5H12109.0°109.5°
C20C4C3110.1°109.5°
C4C20C19111.1°109.4°
C20C4H10107.3°109.5°
C4C20H15109.1°109.5°
C4C20H16109.1°109.5°
C4C3H8108.4°109.5°
C4C3H9108.3°109.5°
C3C4H10107.4°109.4°
N2C19C20110.4°108.8°
C19N2C7122.8°120.6°
N2C19H17109.2°109.6°
N2C19H18109.2°109.6°
C19C20H15109.0°109.7°
C19C20H16109.1°109.3°
C20C19H17109.2°109.6°
C20C19H18109.3°109.6°
N2C7O2117.4°120.0°
N2C7C8123.4°120.0°
C17C18C8110.1°109.3°
C18C17N4113.2°109.5°
C18C17H13108.6°109.5°
C18C17H14108.5°109.4°
C17C18H19109.3°109.5°
C17C18H20109.3°109.5°
C18C8C7107.5°109.6°
C18C8N3111.8°109.5°
C18C8C15108.7°109.2°
C8C18H19109.3°109.5°
C8C18H20109.3°109.5°
C17N4C16112.8°111.2°
N4C17H13108.5°109.5°
N4C17H14108.5°109.4°
C17N4H23108.6°111.0°
O2C7C8119.2°120.0°
C7C8N3112.6°109.5°
C7C8C15104.5°109.5°
N3C8C15111.4°109.5°
C8N3C9127.5°120.0°
C8N3H27104.8°120.0°
C8C15C16111.9°109.3°
C8C15H3108.9°109.5°
C8C15H4108.9°109.6°
N4C16C15111.3°109.5°
N4C16H5109.0°109.4°
N4C16H6109.0°109.5°
C16N4H23108.6°111.0°
N3C9C14118.4°120.1°
N3C9C10122.6°120.1°
C9N3H27104.8°120.0°
C16C15H3108.9°109.4°
C16C15H4108.9°109.5°
C15C16H5109.0°109.4°
C15C16H6109.0°109.5°
C14C9C10119.0°119.9°
C9C14C13120.0°120.0°
C9C14H2120.0°120.0°
C9C10C11121.0°120.0°
C9C10H28119.5°120.0°
C14C13C12119.1°120.0°
C14C13H1120.5°120.0°
C13C14H2120.0°120.0°
C10C11C12118.0°120.0°
C10C11H7121.0°120.0°
C11C10H28119.5°120.1°
C13C12C11122.9°120.2°
C13C12CL2118.9°119.9°
C12C13H1120.4°119.9°
C11C12CL2118.2°119.9°
C12C11H7121.0°120.0°
H3C15H4109.5°109.5°
H5C16H6109.4°109.4°
H8C3H9109.5°109.4°
H11C5H12109.5°109.5°
H13C17H14109.5°109.4°
H15C20H16109.5°109.4°
H17C19H18109.5°109.7°
H19C18H20109.5°109.5°
H21C2H22109.4°109.5°
H21C2CL1109.6°109.5°
H22C2CL1109.6°109.5°
H25C6H26109.4°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1N1174.5°180.0°
C2C1N1C3175.0°180.0°
C1C2H21H22120.1°119.9°
C1C2H21CL1119.8°120.0°
C1C2H22CL1119.8°119.9°
C2C1N1H245.1°0.0°
O1C1N1C30.1°0.0°
O1C1C2H21115.2°120.0°
O1C1C2H224.8°120.0°
O1C1C2CL1124.8°0.0°
O1C1N1H24179.9°180.0°
C1N1C3H24180.0°180.0°
C1N1C3C4116.3°180.0°
C1N1C3H8123.0°60.0°
C1N1C3H94.4°60.0°
N1C1C2H2159.5°59.9°
N1C1C2H22179.5°60.0°
N1C1C2CL160.5°180.0°
N1C3C4C575.4°175.0°
N1C3C4C20158.9°65.1°
N1C3C4H8120.6°120.0°
N1C3C4H9120.7°120.0°
N1C3H8H9118.0°120.0°
N1C3C4H1042.4°55.0°
C5C6N2H25120.1°119.7°
C5C6N2H26120.1°119.8°
C6C5C4H11120.3°119.7°
C6C5C4H12120.3°120.2°
C6C5C4C2050.0°61.6°
C6C5C4C3174.6°178.4°
C5C6N2C1961.9°53.4°
C5C6N2C7120.4°126.4°
C6C5C4H1067.5°58.5°
C6C5H11H12119.1°120.2°
C5C6H25H26119.8°120.3°
N2C6C5C455.4°54.6°
C6N2C19C7177.8°179.8°
C6N2C19C2061.8°53.4°
C6N2C7O2173.4°174.8°
C6N2C7C86.5°5.2°
N2C6C5H1164.9°174.5°
N2C6C5H12175.7°65.4°
C6N2C19H1758.3°66.4°
C6N2C19H18178.0°173.2°
N2C6H25H26119.8°120.4°
C5C4C20C3126.0°120.0°
C5C4C20H10117.5°120.0°
C5C4C3H10117.8°119.9°
C5C4C20C1949.5°61.6°
C5C4C3H845.2°65.0°
C5C4C3H9163.9°55.0°
C4C5H11H12119.1°120.1°
C5C4C20H1570.7°58.6°
C5C4C20H16169.8°178.6°
C4C5C6H2564.7°174.4°
C4C5C6H26175.5°65.2°
C20C4C3H10116.5°120.1°
C4C20C19N254.8°54.7°
C4C20C19H15120.3°120.1°
C4C20C19H16120.3°119.9°
C20C4C3H880.5°55.0°
C20C4C3H938.2°174.9°
C20C4C5H1170.3°178.7°
C20C4C5H12170.3°58.6°
C4C20H15H16119.3°120.0°
C4C20C19H1765.4°65.1°
C4C20C19H18174.9°174.5°
C3C4C20C19175.5°178.4°
C4C3H8H9118.0°120.0°
C3C4C5H1154.3°58.7°
C3C4C5H1265.1°61.4°
C3C4C20H1555.3°61.4°
C3C4C20H1664.2°58.6°
C4C3N1H2463.7°0.0°
N2C19C20H17120.1°119.8°
N2C19C20H18120.1°119.8°
C19N2C7O24.1°4.9°
C19N2C7C8176.1°175.0°
N2C19C20H1565.5°65.4°
N2C19C20H16175.0°174.6°
N2C19H17H18119.6°120.4°
C19N2C6H2558.2°173.1°
C19N2C6H26178.1°66.4°
C20C19N2C7120.4°126.4°
C19C20C4H1067.9°58.4°
C19C20H15H16119.2°119.9°
C20C19H17H18119.6°120.3°
N2C7C8C1873.2°160.1°
N2C7O2C8179.9°180.0°
N2C7C8N350.4°39.9°
N2C7C8C15171.4°80.2°
C7N2C19H17119.5°113.8°
C7N2C19H180.3°6.6°
C7N2C6H25119.5°6.6°
C7N2C6H260.4°113.9°
C17C18C8H19120.1°119.9°
C17C18C8H20120.1°120.0°
C18C17N4H13120.6°120.1°
C18C17N4H14120.6°120.0°
C17C18C8C7166.9°177.6°
C17C18C8N369.0°62.3°
C17C18C8C1554.4°57.6°
C18C17N4C1654.8°61.7°
C18C17H13H14118.3°119.9°
C17C18H19H20119.7°120.1°
C18C17N4H2365.7°62.4°
C8C18C17N454.8°59.2°
C18C8C7O2106.6°19.9°
C18C8C7N3123.6°120.2°
C18C8C7C15115.4°119.7°
C18C8N3C15121.9°119.7°
C18C8N3C9164.1°65.5°
C18C8C15C1656.1°57.6°
C18C8C15H3176.5°62.3°
C18C8C15H464.2°177.6°
C8C18C17H13175.4°179.2°
C8C18C17H1465.7°60.8°
C8C18H19H20119.7°120.1°
C18C8N3H2773.6°114.6°
C17N4C16H23120.5°124.1°
C17N4C16C1554.6°61.7°
C17N4C16H5174.8°58.3°
C17N4C16H665.7°178.2°
N4C17H13H14118.3°120.0°
N4C17C18H19174.9°60.8°
N4C17C18H2065.3°179.1°
O2C7C8N3129.8°140.1°
O2C7C8C158.7°99.8°
C7C8N3C15117.0°120.1°
C7C8N3C942.9°54.8°
C7C8C15C16170.7°177.6°
C7C8C15H369.0°57.7°
C7C8C15H450.3°62.4°
C7C8C18H1973.0°57.6°
C7C8C18H2046.9°62.5°
C7C8N3H27165.3°125.2°
C8N3C9H27122.4°179.9°
N3C8C15C1667.5°62.3°
C8N3C9C14173.1°179.4°
C8N3C9C103.6°0.1°
N3C8C15H352.8°177.9°
N3C8C15H4172.1°57.7°
N3C8C18H1951.1°177.8°
N3C8C18H20170.9°57.7°
C8C15C16N456.2°59.1°
C15C8N3C974.1°174.9°
C8C15C16H3120.3°119.9°
C8C15C16H4120.4°120.0°
C8C15H3H4118.9°120.2°
C8C15C16H5176.5°60.8°
C8C15C16H664.1°179.2°
C15C8C18H19174.5°62.3°
C15C8C18H2065.7°177.6°
C15C8N3H2748.3°5.1°
N4C16C15H5120.3°120.0°
N4C16C15H6120.3°120.1°
N4C16C15H3176.5°60.8°
N4C16C15H464.2°179.2°
N4C16H5H6119.2°120.0°
C16N4C17H13175.4°178.2°
C16N4C17H1465.7°58.3°
N3C9C14C10176.8°179.5°
N3C9C14C13178.9°180.0°
N3C9C10C11177.9°179.7°
N3C9C14H21.2°0.0°
N3C9C10H282.1°0.0°
C16C15H3H4118.9°120.0°
C15C16H5H6119.1°120.0°
C15C16N4H2365.9°62.4°
C9C14C13H2180.0°179.9°
C14C9C10C111.2°0.8°
C9C14C13C122.6°0.0°
C9C14C13H1177.4°179.8°
C14C9N3H2764.5°0.6°
C14C9C10H28178.8°179.5°
C10C9C14C132.0°0.6°
C9C10C11H28180.0°179.7°
C9C10C11C121.0°0.5°
C10C9C14H2178.0°179.5°
C9C10C11H7179.0°179.4°
C10C9N3H27118.8°180.0°
C14C13C12H1180.0°179.8°
C14C13C12C112.4°0.2°
C14C13C12CL2179.3°179.8°
C10C11C12C131.6°0.0°
C10C11C12H7180.0°180.0°
C10C11C12CL2179.9°180.0°
C13C12C11CL2178.3°180.0°
C12C13C14H2177.5°180.0°
C13C12C11H7178.4°180.0°
C11C12C13H1177.6°179.9°
C12C11C10H28179.0°179.8°
CL2C12C13H10.7°0.0°
CL2C12C11H70.1°0.1°
H1C13C14H22.5°0.1°
H3C15C16H563.2°179.2°
H3C15C16H656.2°59.3°
H4C15C16H556.1°59.2°
H4C15C16H6175.5°60.8°
H5C16N4H2354.3°177.6°
H6C16N4H23173.8°57.7°
H7C11C10H281.0°0.3°
H8C3C4H10163.0°175.1°
H8C3N1H2456.9°120.0°
H9C3C4H1078.3°65.0°
H9C3N1H24175.6°120.0°
H10C4C5H11172.2°61.2°
H10C4C5H1252.8°178.6°
H10C4C20H15171.8°178.6°
H10C4C20H1652.3°61.4°
H11C5C6H25175.0°65.8°
H11C5C6H2655.2°54.6°
H12C5C6H2555.6°54.4°
H12C5C6H2664.2°174.8°
H13C17C18H1964.5°59.3°
H13C17C18H2055.3°60.8°
H13C17N4H2354.9°57.7°
H14C17C18H1954.4°179.2°
H14C17C18H20174.2°59.2°
H14C17N4H23173.8°177.7°
H15C20C19H17174.4°174.8°
H15C20C19H1854.7°54.4°
H16C20C19H1754.9°54.8°
H16C20C19H1864.8°65.6°
H21C2H22CL1120.1°120.1°

223532

PDB entries from 2024-08-07

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