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4CC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O31C28doub1.21Å1.25Å
O32C28sing1.34Å1.25Å
C28C23sing1.51Å1.52Å
C23C18sing1.53Å1.52Å
C18N14sing1.47Å1.48Å
C21C26doub1.38Å1.39ÅAromatic
C21C17sing1.39Å1.40ÅAromatic
C26C30sing1.39Å1.38ÅAromatic
O15C12doub1.22Å1.22Å
N14C17sing1.39Å1.42Å
N14C12sing1.35Å1.37Å
C17N22doub1.32Å1.34ÅAromatic
C12C10sing1.48Å1.50Å
C30C27doub1.38Å1.38ÅAromatic
N22C27sing1.32Å1.34ÅAromatic
C5C10doub1.39Å1.39ÅAromatic
C5C2sing1.39Å1.40ÅAromatic
C10C9sing1.40Å1.40ÅAromatic
C2N6sing1.36Å1.39ÅAromatic
C2C1doub1.41Å1.39ÅAromatic
C9C4doub1.36Å1.39ÅAromatic
N6C7doub1.30Å1.31ÅAromatic
C20C25doub1.38Å1.38ÅAromatic
C20C16sing1.39Å1.39ÅAromatic
C25C29sing1.40Å1.39ÅAromatic
C1C4sing1.39Å1.39ÅAromatic
C1N3sing1.38Å1.40ÅAromatic
N13C16sing1.39Å1.39Å
N13C11sing1.47Å1.45Å
C16C19doub1.39Å1.39ÅAromatic
C7N3sing1.36Å1.40ÅAromatic
C7C11sing1.51Å1.52Å
N35C33doub1.30Å1.31Å
C29C33sing1.48Å1.48Å
C29C24doub1.40Å1.39ÅAromatic
C33N34sing1.38Å1.31Å
N3C8sing1.47Å1.47Å
C19C24sing1.38Å1.38ÅAromatic
C4H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C8H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C20H6sing1.08Å1.08Å
C21H7sing1.08Å1.08Å
C24H8sing1.08Å1.08Å
C26H9sing1.08Å1.08Å
C9H10sing1.08Å1.08Å
C11H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
N13H13sing0.97Å1.00Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C19H16sing1.08Å1.08Å
C23H17sing1.09Å1.10Å
C23H18sing1.09Å1.10Å
C25H19sing1.08Å1.08Å
C27H20sing1.08Å1.08Å
C30H21sing1.08Å1.08Å
O32H22sing0.97Å0.95Å
N34H23sing0.97Å1.00Å
N34H24sing0.97Å1.00Å
N35H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O31C28O32124.3°120.0°
O31C28C23117.7°120.0°
O32C28C23118.0°120.0°
C28O32H22109.5°117.0°
C28C23C18112.4°109.5°
C28C23H17108.7°109.4°
C28C23H18108.7°109.5°
C23C18N14113.6°109.5°
C23C18H14108.4°109.5°
C23C18H15108.4°109.4°
C18C23H17108.7°109.4°
C18C23H18108.7°109.5°
C18N14C17115.0°120.0°
C18N14C12121.3°120.0°
N14C18H14108.4°109.5°
N14C18H15108.4°109.5°
C26C21C17117.6°119.1°
C21C26C30120.1°118.5°
C26C21H7121.2°120.5°
C21C26H9120.0°120.8°
C21C17N14119.7°119.7°
C21C17N22123.2°120.6°
C17C21H7121.2°120.4°
C26C30C27118.2°119.3°
C30C26H9120.0°120.7°
C26C30H21120.9°120.4°
O15C12N14121.7°120.0°
O15C12C10119.6°120.0°
C17N14C12123.7°120.0°
N14C17N22116.9°119.7°
N14C12C10118.8°120.0°
C17N22C27117.3°121.6°
C12C10C5119.0°119.9°
C12C10C9120.8°119.9°
C30C27N22123.7°120.9°
C30C27H20118.1°119.6°
C27C30H21120.9°120.3°
N22C27H20118.2°119.6°
C10C5C2119.1°119.5°
C5C10C9120.1°120.2°
C10C5H2120.4°120.2°
C5C2N6129.6°133.5°
C5C2C1119.7°119.6°
C2C5H2120.5°120.3°
C10C9C4121.3°120.4°
C10C9H10119.4°119.7°
N6C2C1110.7°106.9°
C2N6C7104.8°109.6°
C2C1C4121.8°120.2°
C2C1N3105.9°106.0°
C9C4C1118.0°120.2°
C9C4H1121.0°119.9°
C4C9H10119.3°119.8°
N6C7N3113.5°110.1°
N6C7C11122.4°125.0°
C25C20C16120.3°120.1°
C20C25C29120.6°119.9°
C25C20H6119.9°119.9°
C20C25H19119.7°120.1°
C20C16N13119.4°119.9°
C20C16C19119.2°120.1°
C16C20H6119.8°120.0°
C25C29C33120.4°120.0°
C25C29C24118.9°119.9°
C29C25H19119.7°120.0°
C4C1N3132.3°133.9°
C1C4H1121.0°120.0°
C1N3C7105.0°107.4°
C1N3C8124.9°126.3°
C16N13C11124.3°120.0°
N13C16C19121.4°120.0°
C16N13H13105.7°120.0°
N13C11C7108.1°109.5°
N13C11H11109.8°109.4°
N13C11H12109.8°109.4°
C11N13H13105.6°119.9°
C16C19C24120.3°120.1°
C16C19H16119.8°119.9°
N3C7C11124.1°124.9°
C7N3C8125.8°126.3°
C7C11H11109.8°109.5°
C7C11H12109.8°109.5°
N35C33C29119.8°120.0°
N35C33N34120.4°120.0°
C33N35H25112.0°120.0°
C33C29C24120.5°120.1°
C29C33N34119.7°120.0°
C29C24C19120.5°119.9°
C29C24H8119.7°120.0°
C33N34H23120.0°120.0°
C33N34H24120.0°120.0°
N3C8H3109.5°109.5°
N3C8H4109.4°109.5°
N3C8H5109.5°109.5°
C19C24H8119.7°120.1°
C24C19H16119.8°120.0°
H3C8H4109.5°109.5°
H3C8H5109.4°109.5°
H4C8H5109.5°109.4°
H11C11H12109.5°109.5°
H14C18H15109.5°109.5°
H17C23H18109.5°109.5°
H23N34H24120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O31C28O32C23179.7°180.0°
O31C28C23C1895.7°0.0°
O31C28C23H17143.9°120.0°
O31C28C23H1824.8°120.0°
O31C28O32H220.0°0.1°
O32C28C23C1884.0°180.0°
O32C28C23H1736.5°60.0°
O32C28C23H18155.5°60.0°
C28C23C18H17120.4°120.0°
C28C23C18H18120.5°120.0°
C28C23C18N14179.2°180.0°
C28C23C18H1460.2°60.0°
C28C23C18H1558.6°60.0°
C28C23H17H18118.6°120.0°
C23C28O32H22179.6°180.0°
C23C18N14H14120.6°120.0°
C23C18N14H15120.6°120.0°
C23C18N14C1783.9°67.1°
C23C18N14C1296.3°112.9°
C23C18H14H15118.2°120.0°
C18C23H17H18118.7°120.0°
C18N14C17C21102.0°163.3°
C18N14C12O1530.3°174.4°
C18N14C17C12179.8°179.9°
C18N14C17N2274.1°17.0°
C18N14C12C10149.9°5.5°
N14C18H14H15118.1°120.0°
N14C18C23H1758.7°60.0°
N14C18C23H1860.4°60.0°
C26C21C17H7180.0°180.0°
C21C26C30H9180.0°180.0°
C26C21C17N14177.8°179.7°
C26C21C17N221.9°0.0°
C21C26C30C270.0°0.0°
C21C26C30H21180.0°179.9°
C17C21C26C301.3°0.0°
C21C17N14N22176.2°179.7°
C21C17N14C1278.2°16.6°
C21C17N22C271.0°0.1°
C17C21C26H9178.7°180.0°
C26C30C27H21180.0°179.9°
C26C30C27N220.9°0.1°
C30C26C21H7178.7°180.0°
C26C30C27H20179.2°180.0°
O15C12N14C17149.9°5.6°
O15C12N14C10179.7°179.9°
O15C12C10C584.5°30.0°
O15C12C10C992.5°150.5°
C17N14C12C1029.9°174.5°
N14C17N22C27177.0°179.7°
N14C17C21H72.2°0.3°
C17N14C18H1436.7°172.9°
C17N14C18H15155.5°52.9°
C12N14C17N22105.6°163.0°
N14C12C10C595.3°150.0°
N14C12C10C987.7°29.6°
C12N14C18H14143.1°7.2°
C12N14C18H1524.3°127.2°
C17N22C27C300.4°0.1°
N22C17C21H7178.2°179.9°
C17N22C27H20179.6°179.9°
C12C10C5C9177.0°179.6°
C12C10C5C2179.0°180.0°
C12C10C9C4179.2°179.8°
C12C10C5H21.0°0.4°
C12C10C9H100.8°0.4°
C30C27N22H20180.0°180.0°
C27C30C26H9180.0°180.0°
N22C27C30H21179.1°180.0°
C10C5C2H2180.0°179.6°
C10C5C2N6178.9°180.0°
C10C5C2C11.0°0.0°
C5C10C9C42.2°0.6°
C5C10C9H10177.8°180.0°
C2C5C10C91.9°0.4°
C5C2N6C1179.9°180.0°
C5C2N6C7179.3°179.9°
C5C2C1C40.2°0.2°
C5C2C1N3179.3°179.8°
C10C9C4H10180.0°179.4°
C10C9C4C11.4°0.4°
C10C9C4H1178.6°179.5°
C9C10C5H2178.1°180.0°
N6C2C1C4179.7°179.8°
N6C2C1N30.6°0.2°
C2N6C7N30.4°0.1°
C2N6C7C11178.2°179.8°
N6C2C5H21.1°0.4°
C2C1C4C90.4°0.0°
C1C2N6C70.6°0.1°
C2C1C4N3178.8°180.0°
C2C1N3C70.3°0.3°
C2C1N3C8157.8°179.9°
C2C1C4H1179.6°180.0°
C1C2C5H2179.0°179.6°
C9C4C1H1180.0°179.9°
C9C4C1N3179.2°180.0°
N6C7N3C10.0°0.2°
N6C7C11N1318.1°90.0°
N6C7N3C11178.6°180.0°
N6C7N3C8157.2°179.9°
N6C7C11H11137.9°29.9°
N6C7C11H12101.7°150.0°
C25C20C16H6180.0°179.7°
C20C25C29H19180.0°180.0°
C25C20C16N13179.2°180.0°
C25C20C16C190.5°0.0°
C20C25C29C33178.2°180.0°
C20C25C29C242.5°0.0°
C16C20C25C291.3°0.0°
C20C16N13C19179.7°180.0°
C20C16N13C11178.1°180.0°
C20C16C19C241.0°0.1°
C20C16N13H1359.9°0.1°
C20C16C19H16179.0°180.0°
C16C20C25H19178.7°180.0°
C25C29C33N3558.5°0.0°
C25C29C33C24175.6°180.0°
C25C29C33N34119.1°180.0°
C25C29C24C193.0°0.0°
C29C25C20H6178.7°179.7°
C25C29C24H8177.0°180.0°
C4C1N3C7179.3°179.8°
C4C1N3C823.3°0.1°
C1C4C9H10178.6°179.8°
C1N3C7C8157.2°179.7°
C1N3C7C11178.6°179.7°
N3C1C4H10.8°0.0°
C1N3C8H3180.0°89.6°
C1N3C8H460.0°30.4°
C1N3C8H560.0°150.3°
C16N13C11H13122.0°179.9°
C16N13C11C7127.9°180.0°
N13C16C19C24178.7°179.9°
N13C16C20H60.8°0.3°
C16N13C11H118.1°60.0°
C16N13C11H12112.3°60.0°
N13C16C19H161.3°0.0°
C11N13C16C191.6°0.0°
N13C11C7N3163.4°90.0°
N13C11C7H11119.8°120.0°
N13C11C7H12119.8°120.0°
N13C11H11H12120.6°120.0°
C16C19C24C292.3°0.1°
C16C19C24H16180.0°179.9°
C19C16C20H6179.5°179.7°
C16C19C24H8177.7°180.0°
C19C16N13H13120.4°179.9°
C7N3C8H327.1°90.0°
C7N3C8H4147.1°150.0°
C7N3C8H592.9°30.1°
N3C7C11H1143.6°150.0°
N3C7C11H1276.8°30.0°
C11C7N3C824.2°0.1°
C7C11H11H12120.7°120.0°
C7C11N13H13110.1°0.0°
N35C33C29N34177.6°180.0°
N35C33C29C24125.9°180.0°
N35C33N34H23177.6°179.9°
N35C33N34H242.4°0.0°
C33C29C24C19178.7°180.0°
C33C29C24H81.3°0.0°
C33C29C25H191.8°0.0°
C29C33N34H230.0°0.0°
C29C33N34H24180.0°179.9°
C29C33N35H25177.6°180.0°
C24C29C33N3456.5°0.0°
C29C24C19H8180.0°179.9°
C29C24C19H16177.7°180.0°
C24C29C25H19177.5°180.0°
C33N34H23H24180.0°179.9°
N34C33N35H250.0°0.0°
N3C8H3H4120.0°120.0°
N3C8H3H5120.0°120.0°
N3C8H4H5120.0°120.0°
H1C4C9H101.4°0.2°
H3C8H4H5120.0°120.0°
H6C20C25H191.3°0.2°
H7C21C26H91.3°0.0°
H8C24C19H162.3°0.1°
H9C26C30H210.0°0.1°
H11C11N13H13130.1°120.1°
H12C11N13H139.7°120.0°
H14C18C23H17179.3°60.0°
H14C18C23H1860.2°180.0°
H15C18C23H1761.9°180.0°
H15C18C23H18179.0°60.0°
H20C27C30H210.9°0.1°

225681

PDB entries from 2024-10-02

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