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0S3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C08sing1.53Å1.54Å
C08C10sing1.53Å1.54Å
C08C09sing1.53Å1.54Å
C08C07sing1.47Å1.48Å
C07C06trip1.17Å1.20Å
S04C05sing1.76Å1.69ÅAromatic
S04C03sing1.76Å1.70ÅAromatic
C22C19sing1.53Å1.53Å
C06C05sing1.43Å1.42Å
O26C25doub1.22Å1.22Å
C05C01doub1.36Å1.38ÅAromatic
C18C19sing1.53Å1.54Å
C18C17sing1.53Å1.53Å
C25C03sing1.41Å1.44Å
C25O27sing1.35Å1.36Å
C19C20sing1.53Å1.53Å
C03C02doub1.38Å1.40ÅAromatic
C20C21sing1.53Å1.53Å
C01C02sing1.37Å1.45ÅAromatic
C17C15sing1.53Å1.54Å
C02N12sing1.40Å1.42Å
C15C21sing1.53Å1.53Å
C15C13sing1.51Å1.53Å
N12C13sing1.35Å1.40Å
N12N14sing1.37Å1.41Å
C13O16doub1.21Å1.24Å
C23N14sing1.47Å1.46Å
N14C24sing1.47Å1.46Å
C01H1sing1.08Å1.08Å
C09H2sing1.09Å1.10Å
C09H3sing1.09Å1.10Å
C09H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C24H27sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
C24H29sing1.09Å1.10Å
O27H30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C08C10109.3°109.5°
C11C08C09109.0°109.5°
C11C08C07109.2°109.5°
C08C11H8109.5°109.5°
C08C11H9109.5°109.5°
C08C11H10109.5°109.5°
C10C08C09110.4°109.5°
C10C08C07110.8°109.5°
C08C10H5109.5°109.5°
C08C10H6109.5°109.5°
C08C10H7109.5°109.5°
C09C08C07108.1°109.5°
C08C09H2109.5°109.5°
C08C09H3109.5°109.5°
C08C09H4109.5°109.5°
C08C07C06178.8°180.0°
C07C06C05176.5°180.0°
C05S04C0392.7°91.3°
S04C05C06121.1°125.0°
S04C05C01111.8°109.9°
S04C03C25113.5°125.2°
S04C03C02112.8°109.6°
C22C19C18111.6°109.5°
C22C19C20110.0°109.5°
C22C19H16108.1°109.5°
C19C22H21109.5°109.5°
C19C22H22109.5°109.5°
C19C22H23109.5°109.5°
C06C05C01127.1°125.1°
O26C25C03125.9°120.0°
O26C25O27122.4°120.0°
C05C01C02113.1°114.8°
C05C01H1123.4°122.6°
C19C18C17110.7°109.5°
C18C19C20110.8°109.5°
C19C18H14109.1°109.4°
C19C18H15109.2°109.5°
C18C19H16108.0°109.4°
C18C17C15110.5°109.5°
C18C17H12109.2°109.5°
C18C17H13109.2°109.5°
C17C18H14109.2°109.5°
C17C18H15109.1°109.5°
C03C25O27111.7°120.0°
C25C03C02133.7°125.2°
C25O27H30109.5°114.0°
C19C20C21112.0°109.5°
C20C19H16108.1°109.5°
C19C20H17108.9°109.4°
C19C20H18108.8°109.5°
C03C02C01109.6°114.4°
C03C02N12123.8°122.8°
C20C21C15112.1°109.5°
C21C20H17108.8°109.5°
C21C20H18108.8°109.5°
C20C21H19108.8°109.5°
C20C21H20108.8°109.5°
C01C02N12126.6°122.8°
C02C01H1123.4°122.6°
C17C15C21110.3°109.5°
C17C15C13113.0°109.5°
C17C15H11109.1°109.4°
C15C17H12109.2°109.5°
C15C17H13109.2°109.5°
C02N12C13122.2°120.0°
C02N12N14120.3°120.0°
C21C15C13106.1°109.5°
C21C15H11109.1°109.4°
C15C21H19108.8°109.4°
C15C21H20108.8°109.5°
C15C13N12116.0°120.0°
C15C13O16120.3°120.0°
C13C15H11109.1°109.5°
C13N12N14117.5°120.0°
N12C13O16123.7°120.0°
N12N14C23116.2°111.0°
N12N14C24113.1°111.0°
C23N14C24115.6°111.0°
N14C23H24109.5°109.4°
N14C23H25109.4°109.5°
N14C23H26109.5°109.5°
N14C24H27109.5°109.5°
N14C24H28109.4°109.4°
N14C24H29109.4°109.4°
H2C09H3109.5°109.5°
H2C09H4109.5°109.5°
H3C09H4109.5°109.4°
H5C10H6109.4°109.4°
H5C10H7109.5°109.5°
H6C10H7109.5°109.5°
H8C11H9109.5°109.5°
H8C11H10109.5°109.5°
H9C11H10109.5°109.5°
H12C17H13109.5°109.4°
H14C18H15109.5°109.5°
H17C20H18109.4°109.4°
H19C21H20109.5°109.5°
H21C22H22109.5°109.5°
H21C22H23109.5°109.5°
H22C22H23109.5°109.4°
H24C23H25109.5°109.5°
H24C23H26109.5°109.5°
H25C23H26109.4°109.5°
H27C24H28109.5°109.5°
H27C24H29109.5°109.5°
H28C24H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C08C10C09119.9°120.0°
C11C08C10C07120.4°120.0°
C11C08C09C07118.6°120.0°
C11C08C07C0616.3°161.1°
C11C08C09H2180.0°60.0°
C11C08C09H360.0°60.0°
C11C08C09H460.0°180.0°
C11C08C10H5180.0°180.0°
C11C08C10H660.0°60.0°
C11C08C10H760.0°60.0°
C08C11H8H9120.0°120.0°
C08C11H8H10120.0°120.0°
C08C11H9H10120.0°120.0°
C10C08C09C07121.3°120.0°
C10C08C07C06104.1°41.1°
C10C08C09H259.9°60.0°
C10C08C09H360.1°180.0°
C10C08C09H4179.9°60.0°
C08C10H5H6120.0°120.0°
C08C10H5H7120.0°120.0°
C08C10H6H7120.0°120.0°
C10C08C11H8180.0°60.0°
C10C08C11H960.0°180.0°
C10C08C11H1060.0°60.0°
C09C08C07C06134.8°78.9°
C08C09H2H3120.0°120.0°
C08C09H2H4120.0°120.0°
C08C09H3H4120.0°120.0°
C09C08C10H560.1°60.0°
C09C08C10H6180.0°180.0°
C09C08C10H760.0°60.0°
C09C08C11H859.2°180.0°
C09C08C11H960.8°60.0°
C09C08C11H10179.2°60.0°
C08C07C06C0526.6°177.5°
C07C08C09H261.4°180.0°
C07C08C09H3178.6°60.0°
C07C08C09H458.6°60.0°
C07C08C10H559.6°60.0°
C07C08C10H660.4°60.0°
C07C08C10H7179.6°180.0°
C07C08C11H858.7°60.0°
C07C08C11H9178.7°60.0°
C07C08C11H1061.3°180.0°
C07C06C05S040.6°38.6°
C07C06C05C01179.6°141.0°
S04C05C06C01179.9°179.7°
C05S04C03C25179.3°179.8°
C05S04C03C020.5°0.2°
S04C05C01C020.5°0.4°
S04C05C01H1179.5°179.9°
C03S04C05C06179.9°180.0°
S04C03C25O2617.5°178.6°
C03S04C05C010.0°0.3°
S04C03C25C02178.5°180.0°
S04C03C25O27160.2°1.3°
S04C03C02C010.8°0.0°
S04C03C02N12179.3°180.0°
C22C19C18C20123.0°120.1°
C22C19C18H16118.7°119.9°
C22C19C18C17179.2°180.0°
C22C19C20H16117.8°120.0°
C22C19C20C21177.8°180.0°
C22C19C18H1460.6°60.1°
C22C19C18H1559.0°60.0°
C22C19C20H1757.4°60.0°
C22C19C20H1861.8°60.0°
C19C22H21H22120.0°120.0°
C19C22H21H23120.0°120.0°
C19C22H22H23120.0°119.9°
C06C05C01C02179.6°179.9°
C06C05C01H10.4°0.2°
O26C25C03O27177.7°180.0°
O26C25C03C02164.0°1.3°
O26C25O27H300.0°0.1°
C05C01C02C030.8°0.3°
C05C01C02H1180.0°179.7°
C05C01C02N12179.3°179.8°
C19C18C17H14120.2°119.9°
C19C18C17H15120.2°120.0°
C18C19C20H16118.2°120.0°
C18C19C20C2153.8°60.0°
C19C18C17C1558.3°59.9°
C19C18C17H1261.8°180.0°
C19C18C17H13178.5°60.1°
C19C18H14H15119.4°120.0°
C18C19C20H1766.5°60.0°
C18C19C20H18174.2°180.0°
C18C19C22H21180.0°60.0°
C18C19C22H2260.0°180.0°
C18C19C22H2360.0°60.1°
C17C18C19C2056.3°59.9°
C18C17C15H12120.2°120.0°
C18C17C15H13120.1°120.0°
C18C17C15C2157.3°60.0°
C18C17C15C13175.9°180.0°
C18C17C15H1162.5°60.0°
C18C17H12H13119.5°119.9°
C17C18H14H15119.4°120.1°
C17C18C19H1662.0°60.1°
C25C03C02C01179.3°180.0°
C25C03C02N122.1°0.1°
C03C25O27H30177.7°180.0°
O27C25C03C0218.3°178.7°
C19C20C21H17120.4°120.0°
C19C20C21H18120.4°120.0°
C19C20C21C1553.8°60.0°
C20C19C18H14176.4°60.0°
C20C19C18H1563.9°180.0°
C19C20H17H18118.8°120.0°
C19C20C21H19174.1°60.0°
C19C20C21H2066.6°180.0°
C20C19C22H2156.6°180.0°
C20C19C22H2263.4°59.9°
C20C19C22H23176.6°60.0°
C03C02C01N12178.5°180.0°
C03C02N12C1391.9°121.7°
C03C02N12N1487.5°58.4°
C03C02C01H1179.1°180.0°
C20C21C15C1755.1°60.0°
C20C21C15H19120.4°120.0°
C20C21C15H20120.4°120.0°
C20C21C15C13177.8°180.0°
C20C21C15H1164.8°60.0°
C21C20C19H1664.4°60.0°
C21C20H17H18118.8°120.0°
C20C21H19H20118.8°120.0°
C01C02N12C1389.8°58.4°
C01C02N12N1490.8°121.6°
C17C15C21C13122.7°120.0°
C17C15C21H11119.8°119.9°
C17C15C13H11121.5°120.0°
C17C15C13N12139.7°87.5°
C17C15C13O1642.0°92.5°
C15C17H12H13119.5°120.0°
C15C17C18H14178.5°60.0°
C15C17C18H1561.9°180.0°
C17C15C21H19175.4°60.1°
C17C15C21H2065.3°180.0°
C02N12C13C151.8°6.7°
C02N12C13N14179.4°179.9°
C02N12C13O16180.0°173.3°
C02N12N14C2378.2°106.9°
C02N12N14C2458.9°129.2°
N12C02C01H10.7°0.0°
C21C15C13H11117.5°120.0°
C21C15C13N1299.3°152.5°
C21C15C13O1678.9°27.5°
C21C15C17H1262.8°180.0°
C21C15C17H13177.5°60.1°
C15C21C20H1766.6°60.0°
C15C21C20H18174.2°180.0°
C15C21H19H20118.8°120.0°
C15C13N12O16178.2°180.0°
C15C13N12N14178.9°173.4°
C13C15C17H1255.7°60.0°
C13C15C17H1364.0°60.0°
C13C15C21H1961.9°60.0°
C13C15C21H2057.4°60.0°
C13N12N14C23101.2°73.1°
C13N12N14C24121.7°50.9°
N12C13C15H1118.1°32.5°
N14N12C13O160.7°6.6°
N12N14C23C24136.0°124.0°
N12N14C23H24180.0°65.6°
N12N14C23H2560.0°174.3°
N12N14C23H2660.0°54.3°
N12N14C24H27180.0°39.9°
N12N14C24H2860.0°159.9°
N12N14C24H2960.0°80.1°
O16C13C15H11163.6°147.5°
N14C23H24H25120.0°120.0°
N14C23H24H26120.0°120.0°
N14C23H25H26120.0°120.0°
C23N14C24H2742.6°163.9°
C23N14C24H2877.4°76.1°
C23N14C24H29162.7°43.9°
C24N14C23H2444.0°58.3°
C24N14C23H25164.0°61.7°
C24N14C23H2676.1°178.3°
N14C24H27H28120.0°119.9°
N14C24H27H29120.0°120.0°
N14C24H28H29119.9°120.0°
H2C09H3H4120.0°120.0°
H5C10H6H7120.0°120.0°
H8C11H9H10120.0°120.0°
H11C15C17H12177.3°60.1°
H11C15C17H1357.6°180.0°
H11C15C21H1955.6°180.0°
H11C15C21H20174.9°60.0°
H12C17C18H1458.3°60.1°
H12C17C18H15178.0°60.0°
H13C17C18H1461.4°180.0°
H13C17C18H1558.3°59.9°
H14C18C19H1658.2°180.0°
H15C18C19H16177.8°60.0°
H16C19C20H17175.2°180.0°
H16C19C20H1856.0°60.1°
H16C19C22H2161.3°59.9°
H16C19C22H22178.7°60.1°
H16C19C22H2358.7°180.0°
H17C20C21H1953.7°180.0°
H17C20C21H20173.0°60.0°
H18C20C21H1965.5°60.0°
H18C20C21H2053.8°60.0°
H21C22H22H23120.0°120.0°
H24C23H25H26120.0°120.0°
H27C24H28H29120.0°120.1°

230744

PDB entries from 2025-01-29

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