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MRF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.51Å
C1O1doub1.21Å1.25Å
C1N1sing1.35Å1.33Å
N1C3sing1.47Å1.46Å
C6C5sing1.53Å1.52Å
C6N2sing1.47Å1.47Å
C19C20sing1.53Å1.51Å
C19N2sing1.47Å1.47Å
C4C5sing1.53Å1.53Å
C4C20sing1.53Å1.53Å
C4C3sing1.53Å1.52Å
N2C7sing1.35Å1.35Å
C18C17sing1.53Å1.51Å
C18C8sing1.53Å1.54Å
C17N3sing1.47Å1.47Å
C7O2doub1.21Å1.23Å
C7C8sing1.51Å1.53Å
C8O3sing1.43Å1.46Å
C8C15sing1.53Å1.53Å
N3C16sing1.47Å1.47Å
O3C9sing1.36Å1.38Å
C15C16sing1.53Å1.51Å
C9C10doub1.39Å1.38ÅAromatic
C9C14sing1.39Å1.39ÅAromatic
C10C11sing1.38Å1.39ÅAromatic
C14C13doub1.38Å1.39ÅAromatic
C11C12doub1.38Å1.38ÅAromatic
C13C12sing1.38Å1.37ÅAromatic
C12CL2sing1.74Å1.73Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2CL1sing1.80Å1.07Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C11H11sing1.08Å1.08Å
C13H12sing1.08Å1.08Å
C14H13sing1.08Å1.08Å
C15H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
N1H22sing0.97Å1.00Å
C10H23sing1.08Å1.08Å
N3H24sing1.01Å1.00Å
C19H26sing1.09Å1.10Å
C19H27sing1.09Å1.10Å
C20H28sing1.09Å1.10Å
C20H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1119.3°120.0°
C2C1N1118.3°120.0°
C1C2H1109.5°109.4°
C1C2H2109.5°109.5°
C1C2CL1109.2°109.5°
O1C1N1122.3°120.0°
C1N1C3122.5°120.0°
C1N1H22118.8°120.0°
N1C3C4111.8°109.5°
N1C3H4108.9°109.5°
N1C3H5108.9°109.4°
C3N1H22118.8°120.0°
C5C6N2110.5°108.8°
C6C5C4111.7°109.3°
C6C5H7108.9°109.4°
C6C5H8108.9°109.5°
C5C6H9109.2°109.6°
C5C6H10109.2°109.6°
C6N2C19111.3°118.7°
C6N2C7127.4°120.7°
N2C6H9109.2°109.6°
N2C6H10109.2°109.6°
C20C19N2109.5°108.8°
C19C20C4111.0°109.3°
C20C19H26109.5°109.5°
C20C19H27109.5°109.6°
C19C20H28109.1°109.4°
C19C20H29109.1°109.5°
C19N2C7121.3°120.6°
N2C19H26109.5°109.6°
N2C19H27109.5°109.6°
C5C4C20110.2°109.6°
C5C4C3110.5°109.4°
C5C4H6108.6°109.5°
C4C5H7108.9°109.5°
C4C5H8108.9°109.6°
C20C4C3110.3°109.4°
C20C4H6108.6°109.5°
C4C20H28109.1°109.5°
C4C20H29109.1°109.5°
C4C3H4108.9°109.5°
C4C3H5108.9°109.5°
C3C4H6108.7°109.5°
N2C7O2118.1°120.0°
N2C7C8122.5°120.1°
C17C18C8110.2°109.3°
C18C17N3110.9°109.5°
C18C17H18109.1°109.4°
C18C17H19109.1°109.5°
C17C18H20109.3°109.5°
C17C18H21109.3°109.5°
C18C8C7110.6°109.5°
C18C8O3107.1°109.5°
C18C8C15109.8°109.2°
C8C18H20109.3°109.5°
C8C18H21109.3°109.5°
C17N3C16111.7°111.2°
N3C17H18109.1°109.4°
N3C17H19109.1°109.5°
C17N3H24108.9°111.0°
O2C7C8119.4°120.0°
C7C8O3114.3°109.5°
C7C8C15108.4°109.6°
O3C8C15106.5°109.5°
C8O3C9125.7°117.0°
C8C15C16110.6°109.3°
C8C15H14109.2°109.5°
C8C15H15109.2°109.5°
N3C16C15110.9°109.6°
N3C16H16109.1°109.5°
N3C16H17109.1°109.4°
C16N3H24108.9°111.0°
O3C9C10115.8°120.1°
O3C9C14124.2°120.0°
C16C15H14109.2°109.5°
C16C15H15109.2°109.5°
C15C16H16109.1°109.4°
C15C16H17109.1°109.5°
C10C9C14119.9°119.9°
C9C10C11119.9°120.0°
C9C10H23120.0°120.0°
C9C14C13120.1°119.9°
C9C14H13119.9°120.0°
C10C11C12119.3°120.0°
C10C11H11120.4°120.0°
C11C10H23120.1°120.0°
C14C13C12119.2°120.1°
C14C13H12120.4°119.9°
C13C14H13120.0°120.1°
C11C12C13121.6°120.1°
C11C12CL2119.3°120.0°
C12C11H11120.3°120.0°
C13C12CL2119.1°119.9°
C12C13H12120.4°120.0°
H1C2H2109.5°109.5°
H1C2CL1109.6°109.4°
H2C2CL1109.6°109.5°
H4C3H5109.4°109.5°
H7C5H8109.5°109.5°
H9C6H10109.4°109.7°
H14C15H15109.5°109.5°
H16C16H17109.5°109.4°
H18C17H19109.5°109.5°
H20C18H21109.5°109.6°
H26C19H27109.5°109.7°
H28C20H29109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1N1177.4°179.6°
C2C1N1C3177.1°179.7°
C1C2H1H2120.1°120.0°
C1C2H1CL1119.7°120.0°
C1C2H2CL1119.8°120.0°
C2C1N1H222.9°0.3°
O1C1N1C30.4°0.0°
O1C1C2H1118.1°120.0°
O1C1C2H22.0°120.0°
O1C1C2CL1122.0°0.1°
O1C1N1H22179.7°180.0°
C1N1C3H22180.0°180.0°
C1N1C3C4121.7°180.0°
N1C1C2H159.4°60.3°
N1C1C2H2179.5°59.7°
N1C1C2CL160.5°179.7°
C1N1C3H4117.9°60.0°
C1N1C3H51.3°60.0°
N1C3C4C578.7°175.0°
N1C3C4C20159.3°64.9°
N1C3C4H4120.4°120.0°
N1C3C4H5120.4°119.9°
N1C3H4H5118.9°119.9°
N1C3C4H640.3°55.0°
C5C6N2H9120.2°119.8°
C5C6N2H10120.2°119.8°
C5C6N2C1960.1°53.6°
C6C5C4H7120.3°119.9°
C6C5C4H8120.3°120.0°
C6C5C4C2051.6°61.4°
C6C5C4C3173.8°178.6°
C5C6N2C7121.0°126.4°
C6C5C4H667.2°58.6°
C6C5H7H8119.0°120.0°
C5C6H9H10119.5°120.4°
C6N2C19C2061.8°53.6°
C6N2C19C7179.1°180.0°
N2C6C5C454.8°54.7°
C6N2C7O2179.9°3.6°
C6N2C7C80.8°176.4°
N2C6C5H765.5°174.6°
N2C6C5H8175.1°65.4°
N2C6H9H10119.5°120.3°
C6N2C19H26178.2°66.2°
C6N2C19H2758.2°173.4°
C20C19N2H26120.0°119.8°
C20C19N2H27120.0°119.8°
C19C20C4C553.6°61.4°
C19C20C4H28120.2°119.9°
C19C20C4H29120.3°120.0°
C19C20C4C3175.8°178.7°
C20C19N2C7119.1°126.4°
C19C20C4H665.2°58.7°
C20C19H26H27120.0°120.3°
C19C20H28H29119.3°120.1°
N2C19C20C458.5°54.6°
C19N2C7O21.1°176.5°
C19N2C7C8179.7°3.6°
C19N2C6H960.1°66.2°
C19N2C6H10179.7°173.4°
N2C19H26H27120.0°120.4°
N2C19C20H28178.7°65.3°
N2C19C20H2961.7°174.6°
C5C4C20C3122.2°120.0°
C5C4C20H6118.8°120.0°
C5C4C3H6119.0°120.0°
C5C4C3H441.7°65.0°
C5C4C3H5160.9°55.1°
C4C5H7H8119.0°120.2°
C4C5C6H965.4°65.1°
C4C5C6H10174.9°174.4°
C5C4C20H28173.8°58.5°
C5C4C20H2966.7°178.7°
C20C4C3H6119.0°120.0°
C20C4C3H480.4°55.1°
C20C4C3H538.9°175.1°
C20C4C5H768.7°178.7°
C20C4C5H8172.0°58.6°
C4C20C19H26178.5°65.2°
C4C20C19H2761.5°174.4°
C4C20H28H29119.3°120.1°
C4C3H4H5118.9°120.1°
C3C4C5H753.5°58.7°
C3C4C5H865.9°61.4°
C4C3N1H2258.3°0.0°
C3C4C20H2864.0°61.5°
C3C4C20H2955.5°58.7°
N2C7C8C1867.8°73.8°
N2C7O2C8179.3°179.9°
N2C7C8O353.2°46.3°
N2C7C8C15171.8°166.4°
C7N2C6H9118.9°113.8°
C7N2C6H100.8°6.6°
C7N2C19H260.9°113.9°
C7N2C19H27120.9°6.6°
C17C18C8H20120.1°119.9°
C17C18C8H21120.1°120.0°
C18C17N3H18120.2°120.0°
C18C17N3H19120.2°120.0°
C17C18C8C7174.0°177.6°
C17C18C8O360.8°62.2°
C17C18C8C1554.5°57.6°
C18C17N3C1659.6°61.8°
C18C17H18H19119.4°120.0°
C17C18H20H21119.7°120.2°
C18C17N3H2460.8°62.3°
C8C18C17N357.0°59.2°
C18C8C7O2113.0°106.1°
C18C8C7O3120.9°120.1°
C18C8C7C15120.4°119.7°
C18C8O3C15117.4°119.7°
C18C8O3C9160.5°179.7°
C18C8C15C1654.4°57.6°
C18C8C15H14174.6°62.3°
C18C8C15H1565.8°177.6°
C8C18C17H18177.2°179.2°
C8C18C17H1963.2°60.8°
C8C18H20H21119.6°120.1°
C17N3C16H24120.3°124.1°
C17N3C16C1559.2°61.7°
C17N3C16H16179.5°58.3°
C17N3C16H1761.0°178.2°
N3C17H18H19119.3°120.0°
N3C17C18H20177.1°179.1°
N3C17C18H2163.1°60.8°
O2C7C8O3126.1°133.8°
O2C7C8C157.5°13.7°
C7C8O3C15119.7°120.2°
C7C8O3C937.6°60.2°
C7C8C15C16175.3°177.6°
C7C8C15H1464.5°57.7°
C7C8C15H1555.1°62.4°
C7C8C18H2065.8°62.5°
C7C8C18H2153.9°57.7°
O3C8C15C1661.2°62.3°
C8O3C9C10166.5°174.6°
C8O3C9C1410.7°5.9°
O3C8C15H1459.0°177.8°
O3C8C15H15178.6°57.7°
O3C8C18H2059.3°57.7°
O3C8C18H21179.1°177.8°
C8C15C16N356.6°59.2°
C15C8O3C982.1°60.0°
C8C15C16H14120.2°119.9°
C8C15C16H15120.2°120.0°
C8C15H14H15119.5°120.1°
C8C15C16H16176.8°60.9°
C8C15C16H1763.6°179.2°
C15C8C18H20174.6°177.5°
C15C8C18H2165.6°62.3°
N3C16C15H16120.2°120.0°
N3C16C15H17120.2°120.0°
N3C16C15H14176.7°60.7°
N3C16C15H1563.6°179.2°
N3C16H16H17119.3°119.9°
C16N3C17H18179.8°178.3°
C16N3C17H1960.7°58.3°
O3C9C10C14177.3°179.5°
O3C9C10C11178.2°180.0°
O3C9C14C13179.1°179.7°
O3C9C14H130.9°0.3°
O3C9C10H231.8°0.0°
C16C15H14H15119.5°120.1°
C15C16H16H17119.4°120.0°
C15C16N3H2461.1°62.3°
C9C10C11H23180.0°180.0°
C10C9C14C131.9°0.3°
C9C10C11C120.1°0.5°
C9C10C11H11179.9°179.8°
C10C9C14H13178.1°179.8°
C14C9C10C110.9°0.5°
C9C14C13H13180.0°180.0°
C9C14C13C122.3°0.0°
C9C14C13H12177.7°179.9°
C14C9C10H23179.1°179.5°
C10C11C12H11180.0°179.7°
C10C11C12C130.5°0.3°
C10C11C12CL2179.8°179.8°
C14C13C12C111.5°0.0°
C14C13C12H12180.0°179.9°
C14C13C12CL2179.1°180.0°
C11C12C13CL2179.4°180.0°
C11C12C13H12178.4°179.9°
C12C11C10H23179.9°179.5°
C13C12C11H11179.5°180.0°
C12C13C14H13177.7°180.0°
CL2C12C11H110.2°0.1°
CL2C12C13H120.9°0.0°
H1C2H2CL1120.2°120.0°
H4C3C4H6160.7°175.0°
H4C3N1H2262.1°120.0°
H5C3C4H680.1°64.9°
H5C3N1H22178.7°120.0°
H6C4C5H7172.5°61.3°
H6C4C5H853.2°178.6°
H6C4C20H2855.1°178.6°
H6C4C20H29174.6°61.3°
H7C5C6H9174.3°54.8°
H7C5C6H1054.6°65.6°
H8C5C6H954.9°174.9°
H8C5C6H1064.8°54.4°
H11C11C10H230.1°0.2°
H12C13C14H132.3°0.0°
H14C15C16H1663.0°179.2°
H14C15C16H1756.5°59.3°
H15C15C16H1656.6°59.2°
H15C15C16H17176.2°60.8°
H16C16N3H2459.1°177.7°
H17C16N3H24178.7°57.7°
H18C17C18H2062.6°61.0°
H18C17C18H2157.1°59.2°
H18C17N3H2459.5°57.6°
H19C17C18H2057.0°59.1°
H19C17C18H21176.7°179.2°
H19C17N3H24179.0°177.6°
H26C19C20H2861.3°174.9°
H26C19C20H2958.3°54.8°
H27C19C20H2858.7°54.5°
H27C19C20H29178.3°65.6°

223532

PDB entries from 2024-08-07

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