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2W3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N40C38sing1.35Å1.38Å
O33C32doub1.22Å1.25Å
C38O39doub1.22Å1.24Å
C38C34sing1.47Å1.50Å
CL8C24sing1.74Å1.74Å
C32C34sing1.42Å1.44Å
C32N30sing1.35Å1.38Å
C34C35doub1.40Å1.43Å
N30C29sing1.36Å1.37Å
C24C23doub1.38Å1.42ÅAromatic
C24C25sing1.38Å1.37ÅAromatic
C35O37sing1.35Å1.37Å
C35N36sing1.33Å1.36Å
C23C22sing1.38Å1.41ÅAromatic
CL7C25sing1.74Å1.74Å
C29N36doub1.31Å1.34Å
C29C5sing1.48Å1.52Å
C25C26doub1.38Å1.37ÅAromatic
C4C5doub1.40Å1.42ÅAromatic
C4C3sing1.39Å1.41ÅAromatic
C22C21doub1.38Å1.41ÅAromatic
C5N6sing1.33Å1.36ÅAromatic
C26C21sing1.38Å1.38ÅAromatic
C2C3sing1.51Å1.52Å
C2C1sing1.53Å1.55Å
C21C20sing1.51Å1.51Å
C3N8doub1.32Å1.33ÅAromatic
N6C7doub1.31Å1.33ÅAromatic
C20N19sing1.46Å1.45Å
N8C7sing1.32Å1.33ÅAromatic
C7C9sing1.51Å1.54Å
N19C17sing1.35Å1.34Å
C17O18doub1.21Å1.22Å
C17C15sing1.51Å1.50Å
C9C15sing1.53Å1.55Å
C9C11sing1.53Å1.55Å
C15C14sing1.53Å1.54Å
C11C12sing1.53Å1.54Å
C14C13sing1.53Å1.53Å
C12C13sing1.53Å1.55Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C22H18sing1.08Å1.08Å
C4H20sing1.08Å1.08Å
N19H21sing0.97Å1.00Å
C23H22sing1.08Å1.08Å
C26H23sing1.08Å1.08Å
N30H24sing0.97Å1.00Å
N40H25sing0.97Å1.00Å
N40H26sing0.97Å1.00Å
O37H19sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N40C38O39118.5°120.0°
N40C38C34122.0°120.0°
C38N40H25120.0°120.0°
C38N40H26120.0°120.0°
O33C32C34121.3°120.7°
O33C32N30119.3°120.7°
O39C38C34119.5°120.0°
C38C34C32122.0°120.9°
C38C34C35121.7°120.8°
CL8C24C23128.6°120.0°
CL8C24C25109.5°120.0°
C34C32N30119.4°118.5°
C32C34C35116.3°118.3°
C32N30C29121.6°120.3°
C32N30H24119.2°119.8°
C34C35O37120.5°120.2°
C34C35N36120.2°119.6°
N30C29N36119.1°121.9°
N30C29C5121.4°119.0°
C29N30H24119.2°119.9°
C23C24C25122.0°120.0°
C24C23C22117.1°119.9°
C24C23H22121.5°120.0°
C24C25CL7116.0°120.0°
C24C25C26121.0°120.0°
O37C35N36119.3°120.2°
C35O37H19109.5°114.0°
C35N36C29123.3°121.5°
C23C22C21119.5°120.1°
C23C22H18120.2°120.0°
C22C23H22121.5°120.0°
CL7C25C26123.0°120.0°
N36C29C5119.4°119.1°
C29C5C4125.8°120.5°
C29C5N6116.4°120.6°
C25C26C21118.9°119.9°
C25C26H23120.5°120.1°
C5C4C3116.6°118.2°
C4C5N6117.8°118.9°
C5C4H20121.7°120.9°
C4C3C2121.3°120.5°
C4C3N8121.0°119.2°
C3C4H20121.7°120.9°
C22C21C26121.6°120.0°
C22C21C20126.0°120.0°
C21C22H18120.2°120.0°
C5N6C7123.2°120.7°
C26C21C20112.4°120.0°
C21C26H23120.6°120.0°
C3C2C1115.0°109.5°
C2C3N8117.7°120.4°
C3C2H4108.1°109.4°
C3C2H5108.1°109.5°
C2C1H1109.5°109.4°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C1C2H4108.0°109.5°
C1C2H5108.0°109.5°
C21C20N19114.4°109.5°
C21C20H16108.2°109.5°
C21C20H17108.2°109.5°
C3N8C7121.4°121.0°
N6C7N8120.0°122.0°
N6C7C9121.0°119.0°
C20N19C17120.4°120.0°
N19C20H16108.3°109.5°
N19C20H17108.2°109.5°
C20N19H21119.8°120.0°
N8C7C9119.0°119.0°
C7C9C15113.3°109.5°
C7C9C11110.7°109.5°
C7C9H6108.6°109.5°
N19C17O18124.0°120.0°
N19C17C15114.4°120.0°
C17N19H21119.8°120.0°
O18C17C15121.6°120.0°
C17C15C9114.0°109.4°
C17C15C14108.2°109.5°
C17C15H15107.5°109.5°
C15C9C11107.2°109.5°
C9C15C14112.8°109.5°
C15C9H6108.5°109.5°
C9C15H15107.0°109.5°
C9C11C12112.5°109.5°
C11C9H6108.5°109.5°
C9C11H7108.7°109.5°
C9C11H8108.7°109.5°
C15C14C13106.2°109.5°
C15C14H13110.3°109.5°
C15C14H14110.3°109.5°
C14C15H15107.1°109.5°
C11C12C13114.5°109.5°
C12C11H7108.7°109.4°
C12C11H8108.7°109.4°
C11C12H9108.2°109.5°
C11C12H10108.2°109.5°
C14C13C12109.7°109.4°
C14C13H11109.4°109.5°
C14C13H12109.4°109.5°
C13C14H13110.3°109.5°
C13C14H14110.3°109.4°
C13C12H9108.2°109.5°
C13C12H10108.2°109.5°
C12C13H11109.4°109.4°
C12C13H12109.4°109.5°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H4C2H5109.5°109.4°
H7C11H8109.5°109.5°
H9C12H10109.5°109.5°
H11C13H12109.5°109.5°
H13C14H14109.5°109.5°
H16C20H17109.5°109.4°
H25N40H26120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N40C38O39C34179.7°180.0°
N40C38C34C32113.3°5.8°
N40C38C34C3566.2°174.2°
C38N40H25H26180.0°180.0°
O33C32C34C380.8°0.4°
O33C32C34N30179.8°179.6°
O33C32C34C35179.7°179.7°
O33C32N30C29179.6°179.6°
O33C32N30H240.4°0.3°
O39C38C34C3266.4°174.2°
O39C38C34C35114.1°5.9°
O39C38N40H250.0°5.0°
O39C38N40H26180.0°174.9°
C38C34C32C35179.5°179.9°
C38C34C32N30179.4°180.0°
C38C34C35O371.0°0.0°
C38C34C35N36179.9°180.0°
C34C38N40H25179.7°175.0°
C34C38N40H260.3°5.0°
CL8C24C23C25179.7°179.8°
CL8C24C23C22179.1°179.9°
CL8C24C25CL72.0°0.2°
CL8C24C25C26178.9°180.0°
CL8C24C23H221.0°0.0°
C34C32N30C290.2°0.0°
C32C34C35O37179.5°180.0°
C32C34C35N360.4°0.0°
C34C32N30H24179.8°179.9°
N30C32C34C350.2°0.0°
C32N30C29H24180.0°179.9°
C32N30C29N360.3°0.0°
C32N30C29C5176.1°180.0°
C34C35O37N36179.1°180.0°
C34C35N36C291.0°0.0°
C34C35O37H19179.1°180.0°
N30C29N36C350.9°0.0°
N30C29N36C5175.9°180.0°
N30C29C5C447.7°180.0°
N30C29C5N6131.1°0.0°
C24C23C22H22180.0°180.0°
C23C24C25CL7177.8°180.0°
C23C24C25C261.4°0.2°
C24C23C22C210.4°0.0°
C24C23C22H18179.6°180.0°
C25C24C23C221.2°0.2°
C24C25CL7C26179.2°179.9°
C24C25C26C210.6°0.1°
C25C24C23H22178.7°179.8°
C24C25C26H23179.4°180.0°
O37C35N36C29179.9°180.0°
C35N36C29C5176.8°180.0°
N36C35O37H190.0°0.0°
C23C22C21H18180.0°180.0°
C23C22C21C260.3°0.3°
C23C22C21C20179.4°179.9°
CL7C25C26C21178.5°179.7°
CL7C25C26H231.5°0.1°
N36C29C5C4136.5°0.0°
N36C29C5N644.7°180.0°
N36C29N30H24179.7°179.9°
C29C5C4N6178.7°179.9°
C29C5C4C3179.3°180.0°
C29C5N6C7179.8°179.7°
C29C5C4H200.7°0.1°
C5C29N30H243.9°0.1°
C25C26C21C220.2°0.4°
C25C26C21H23180.0°179.8°
C25C26C21C20179.6°180.0°
C5C4C3H20180.0°180.0°
C5C4C3C2179.6°180.0°
C5C4C3N80.7°0.3°
C4C5N6C71.0°0.2°
C3C4C5N60.6°0.0°
C4C3C2N8179.8°179.8°
C4C3C2C1146.8°125.3°
C4C3N8C71.1°0.3°
C4C3C2H492.4°5.2°
C4C3C2H526.0°114.7°
C22C21C26C20179.8°179.7°
C22C21C20N1933.8°90.0°
C22C21C20H1686.9°150.0°
C22C21C20H17154.5°30.0°
C21C22C23H22179.6°180.0°
C22C21C26H23179.8°179.8°
C5N6C7N81.4°0.3°
C5N6C7C9179.5°180.0°
N6C5C4H20179.4°180.0°
C26C21C20N19146.4°90.3°
C26C21C20H1692.9°29.7°
C26C21C20H1725.7°149.6°
C26C21C22H18179.7°179.7°
C3C2C1H4120.8°120.0°
C3C2C1H5120.8°120.0°
C2C3N8C7179.1°180.0°
C3C2C1H1180.0°60.0°
C3C2C1H260.0°60.0°
C3C2C1H360.0°179.9°
C3C2H4H5117.5°120.0°
C2C3C4H200.4°0.0°
C1C2C3N833.0°55.0°
C2C1H1H2120.0°119.9°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.1°
C1C2H4H5117.4°120.0°
C21C20N19H16120.7°120.0°
C21C20N19H17120.7°120.0°
C21C20N19C1768.4°180.0°
C21C20H16H17117.8°120.0°
C20C21C22H180.6°0.0°
C21C20N19H21111.6°0.0°
C20C21C26H230.4°0.1°
C3N8C7N61.4°0.0°
C3N8C7C9179.4°179.7°
N8C3C2H487.8°175.0°
N8C3C2H5153.8°65.0°
N8C3C4H20179.3°179.8°
N6C7N8C9179.1°179.7°
N6C7C9C1533.5°60.0°
N6C7C9C1186.9°60.0°
N6C7C9H6154.1°180.0°
C20N19C17H21180.0°180.0°
C20N19C17O181.3°0.0°
C20N19C17C15178.7°180.0°
N19C20H16H17117.8°120.0°
N8C7C9C15147.3°120.3°
N8C7C9C1192.3°119.8°
N8C7C9H626.8°0.3°
C7C9C15C1752.5°60.0°
C7C9C15C11122.4°120.0°
C7C9C15H6120.6°120.0°
C7C9C11H6119.1°120.0°
C7C9C15C14176.3°180.0°
C7C9C11C12174.6°180.0°
C7C9C11H764.9°60.0°
C7C9C11H854.2°60.0°
C7C9C15H1566.2°60.0°
N19C17O18C15180.0°180.0°
N19C17C15C9126.5°180.0°
N19C17C15C14107.2°60.0°
N19C17C15H158.1°60.0°
C17N19C20H16170.9°60.0°
C17N19C20H1752.3°60.0°
O18C17C15C953.5°0.0°
O18C17C15C1472.7°120.0°
O18C17C15H15171.9°120.0°
O18C17N19H21178.7°180.0°
C17C15C9C14123.8°120.0°
C17C15C9H15118.7°120.0°
C17C15C9C11174.8°180.0°
C17C15C14H15115.6°120.0°
C17C15C14C13166.6°180.0°
C17C15C9H668.2°60.0°
C17C15C14H1347.2°60.0°
C17C15C14H1473.9°60.1°
C15C17N19H211.4°0.0°
C15C9C11H6116.9°120.0°
C9C15C14H15117.4°120.0°
C15C9C11C1250.7°60.0°
C9C15C14C1366.4°60.1°
C15C9C11H7171.2°180.0°
C15C9C11H869.8°60.0°
C9C15C14H13174.1°60.0°
C9C15C14H1453.1°180.0°
C11C9C15C1461.3°60.0°
C9C11C12H7120.5°120.0°
C9C11C12H8120.4°120.0°
C9C11C12C1349.9°60.0°
C9C11H7H8118.6°120.1°
C9C11C12H970.8°60.0°
C9C11C12H10170.7°180.0°
C11C9C15H1556.1°60.0°
C15C14C13H13119.5°120.0°
C15C14C13H14119.5°120.0°
C15C14C13C1259.3°60.0°
C14C15C9H655.7°59.9°
C15C14C13H1160.7°180.0°
C15C14C13H12179.4°59.9°
C15C14H13H14121.6°120.0°
C11C12C13C1454.0°60.0°
C11C12C13H9120.7°120.0°
C11C12C13H10120.7°120.0°
C12C11C9H666.3°60.0°
C12C11H7H8118.6°120.0°
C11C12H9H10117.7°120.0°
C11C12C13H1166.0°180.0°
C11C12C13H12174.1°60.0°
C14C13C12H11120.0°120.0°
C14C13C12H12120.0°120.0°
C14C13C12H966.7°60.0°
C14C13C12H10174.8°180.0°
C14C13H11H12119.9°120.1°
C13C14H13H14121.5°119.9°
C13C14C15H1551.0°60.0°
C13C12C11H7170.4°180.0°
C13C12C11H870.5°60.0°
C13C12H9H10117.7°120.0°
C12C13H11H12119.9°120.0°
C12C13C14H13178.8°60.0°
C12C13C14H1460.1°180.0°
H1C1H2H3120.0°120.0°
H1C1C2H459.2°60.0°
H1C1C2H559.2°180.0°
H2C1C2H4179.2°180.0°
H2C1C2H560.8°60.0°
H3C1C2H460.8°59.9°
H3C1C2H5179.2°60.0°
H6C9C11H754.2°60.0°
H6C9C11H8173.3°180.0°
H6C9C15H15173.1°180.0°
H7C11C12H949.7°60.0°
H7C11C12H1068.9°60.0°
H8C11C12H9168.8°180.0°
H8C11C12H1050.2°60.0°
H9C12C13H11173.3°60.0°
H9C12C13H1253.4°180.0°
H10C12C13H1154.7°60.0°
H10C12C13H1265.2°60.0°
H11C13C14H1358.8°59.9°
H11C13C14H14179.8°60.0°
H12C13C14H1361.2°180.0°
H12C13C14H1459.9°60.0°
H13C14C15H1568.4°180.0°
H14C14C15H15170.5°60.0°
H16C20N19H219.1°120.0°
H17C20N19H21127.7°120.1°
H18C22C23H220.4°0.1°

225946

PDB entries from 2024-10-09

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