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6I7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C14sing1.74Å1.79Å
C13C14doub1.38Å1.39ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C14C16sing1.39Å1.38ÅAromatic
C12C11doub1.40Å1.38ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C27C26sing1.54Å1.55Å
C11C17sing1.40Å1.39ÅAromatic
C11C10sing1.48Å1.55Å
C01O02sing1.43Å1.41Å
C18C10doub1.37Å1.38ÅAromatic
C18C19sing1.39Å1.41ÅAromatic
C10N09sing1.37Å1.32ÅAromatic
O02C03sing1.36Å1.42Å
C26C29sing1.53Å1.55Å
C26C28sing1.53Å1.57Å
C26O25sing1.41Å1.47Å
C29C20sing1.53Å1.48Å
O25C22sing1.41Å1.47Å
C23C22sing1.54Å1.57Å
C03C04doub1.39Å1.39ÅAromatic
C03C08sing1.39Å1.39ÅAromatic
N09C08sing1.40Å1.46Å
N09N30sing1.40Å1.38ÅAromatic
C19C20sing1.51Å1.56Å
C19N30doub1.31Å1.33ÅAromatic
C04C05sing1.38Å1.39ÅAromatic
C08C07doub1.39Å1.39ÅAromatic
C20C21sing1.53Å1.48Å
C22C21sing1.53Å1.54Å
C22C24sing1.53Å1.56Å
C05C06doub1.38Å1.39ÅAromatic
C07C06sing1.38Å1.39ÅAromatic
C13H1sing1.08Å1.08Å
C17H2sing1.08Å1.08Å
C20H3sing1.09Å1.10Å
C21H4sing1.09Å1.10Å
C21H5sing1.09Å1.10Å
C24H6sing1.09Å1.10Å
C24H7sing1.09Å1.10Å
C24H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C28H10sing1.09Å1.10Å
C28H11sing1.09Å1.10Å
C01H12sing1.09Å1.10Å
C01H13sing1.09Å1.10Å
C01H14sing1.09Å1.10Å
C04H15sing1.08Å1.08Å
C05H16sing1.08Å1.08Å
C06H17sing1.08Å1.08Å
C07H18sing1.08Å1.08Å
C12H19sing1.08Å1.08Å
C16H20sing1.08Å1.08Å
C18H21sing1.08Å1.08Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C27H25sing1.09Å1.10Å
C27H26sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C29H28sing1.09Å1.10Å
C29H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C14C13120.7°119.9°
CL1C14C16119.5°119.9°
C14C13C12120.5°120.1°
C13C14C16119.8°120.3°
C14C13H1119.7°119.9°
C13C12C11119.8°119.9°
C12C13H1119.7°120.0°
C13C12H19120.1°120.0°
C14C16C17119.6°120.1°
C14C16H20120.2°119.9°
C12C11C17119.2°119.7°
C12C11C10121.1°120.2°
C11C12H19120.1°120.1°
C16C17C11121.0°119.9°
C16C17H2119.5°120.1°
C17C16H20120.2°120.0°
C27C26C29109.3°107.7°
C27C26C28108.6°107.4°
C27C26O25106.3°108.4°
C26C27H25109.5°109.5°
C26C27H26109.4°109.5°
C26C27H27109.5°109.5°
C17C11C10119.7°120.1°
C11C17H2119.5°120.0°
C11C10C18127.4°126.4°
C11C10N09125.4°126.3°
C01O02C03113.8°117.0°
O02C01H12109.5°109.5°
O02C01H13109.4°109.5°
O02C01H14109.5°109.4°
C10C18C19107.7°107.9°
C18C10N09107.2°107.3°
C10C18H21126.2°126.1°
C18C19C20133.1°125.7°
C18C19N30106.6°108.7°
C19C18H21126.1°126.1°
C10N09C08127.9°126.2°
C10N09N30109.8°107.7°
O02C03C04120.1°120.1°
O02C03C08120.1°120.1°
C29C26C28107.7°109.4°
C29C26O25116.9°112.7°
C26C29C20112.1°110.1°
C26C29H28108.8°109.4°
C26C29H29108.8°109.4°
C28C26O25107.9°111.1°
C26C28H9109.5°109.5°
C26C28H10109.5°109.5°
C26C28H11109.4°109.5°
C26O25C22117.0°123.8°
C29C20C1983.0°109.3°
C29C20C21117.1°108.5°
C29C20H3106.2°110.4°
C20C29H28108.8°109.5°
C20C29H29108.8°109.5°
O25C22C23111.4°108.4°
O25C22C21112.5°112.8°
O25C22C24106.9°111.0°
C23C22C21111.7°107.7°
C23C22C24107.2°107.4°
C22C23H22109.5°109.5°
C22C23H23109.5°109.5°
C22C23H24109.4°109.5°
C04C03C08119.8°119.8°
C03C04C05120.2°120.0°
C03C04H15119.9°120.0°
C03C08N09121.3°120.1°
C03C08C07119.9°119.9°
C08N09N30122.4°126.1°
N09C08C07118.8°120.0°
N09N30C19108.8°108.5°
C20C19N30120.3°125.7°
C19C20C21135.1°109.3°
C19C20H3105.3°109.1°
C04C05C06120.0°120.3°
C05C04H15119.9°120.1°
C04C05H16120.0°119.9°
C08C07C06120.3°120.0°
C08C07H18119.8°120.1°
C20C21C22116.7°110.2°
C21C20H3106.2°110.4°
C20C21H4107.6°109.4°
C20C21H5107.7°109.4°
C21C22C24106.7°109.4°
C22C21H4107.6°109.5°
C22C21H5107.6°109.5°
C22C24H6109.5°109.5°
C22C24H7109.4°109.5°
C22C24H8109.5°109.5°
C05C06C07119.8°120.1°
C06C05H16120.0°119.8°
C05C06H17120.1°120.0°
C07C06H17120.1°119.9°
C06C07H18119.9°120.0°
H4C21H5109.5°108.9°
H6C24H7109.5°109.4°
H6C24H8109.5°109.4°
H7C24H8109.5°109.5°
H9C28H10109.5°109.5°
H9C28H11109.5°109.5°
H10C28H11109.5°109.4°
H12C01H13109.5°109.5°
H12C01H14109.5°109.5°
H13C01H14109.5°109.4°
H22C23H23109.5°109.5°
H22C23H24109.5°109.5°
H23C23H24109.5°109.5°
H25C27H26109.5°109.5°
H25C27H27109.5°109.5°
H26C27H27109.5°109.5°
H28C29H29109.5°108.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C14C13C16179.8°180.0°
CL1C14C13C12179.9°180.0°
CL1C14C16C17179.8°180.0°
CL1C14C13H10.0°0.3°
CL1C14C16H200.2°0.1°
C14C13C12H1180.0°179.7°
C14C13C12C110.3°0.1°
C13C14C16C170.0°0.0°
C14C13C12H19179.7°180.0°
C13C14C16H20180.0°180.0°
C12C13C14C160.3°0.0°
C13C12C11H19180.0°179.9°
C13C12C11C170.0°0.0°
C13C12C11C10180.0°180.0°
C14C16C17H20180.0°180.0°
C14C16C17C110.3°0.0°
C16C14C13H1179.8°179.7°
C14C16C17H2179.7°180.0°
C12C11C17C160.3°0.0°
C12C11C17C10180.0°180.0°
C12C11C10C1847.4°157.3°
C12C11C10N09132.6°22.5°
C11C12C13H1179.8°179.7°
C12C11C17H2179.7°179.9°
C16C17C11H2180.0°179.9°
C16C17C11C10179.7°180.0°
C27C26C29C28117.8°116.4°
C27C26C29O25120.7°119.5°
C27C26C28O25114.8°118.3°
C27C26C29C20163.6°166.7°
C27C26O25C22125.8°157.2°
C27C26C28H9180.0°56.6°
C27C26C28H1060.0°63.4°
C27C26C28H1160.0°176.7°
C26C27H25H26120.0°120.0°
C26C27H25H27120.0°120.0°
C26C27H26H27120.0°120.0°
C27C26C29H2843.2°72.9°
C27C26C29H2976.0°46.4°
C17C11C10C18132.6°22.7°
C17C11C10N0947.4°157.5°
C17C11C12H19180.0°180.0°
C11C17C16H20179.7°180.0°
C11C10C18N09180.0°179.8°
C11C10C18C19180.0°179.8°
C11C10N09C080.5°0.0°
C11C10N09N30179.6°179.8°
C10C11C17H20.3°0.0°
C10C11C12H190.0°0.1°
C11C10C18H210.0°0.3°
C01O02C03C0418.2°0.0°
C01O02C03C08162.1°179.7°
O02C01H12H13120.0°120.0°
O02C01H12H14120.0°120.0°
O02C01H13H14120.0°119.9°
C10C18C19H21180.0°180.0°
C18C10N09C08179.4°179.8°
C18C10N09N300.4°0.0°
C10C18C19C20179.2°180.0°
C10C18C19N300.4°0.0°
C19C18C10N090.0°0.1°
C18C19C20C2924.0°33.5°
C18C19N30N090.7°0.0°
C18C19C20N30178.6°179.9°
C18C19C20C2197.8°85.0°
C18C19C20H3129.0°154.3°
C10N09C08C0357.4°124.0°
C10N09C08N30178.9°179.7°
C10N09N30C190.7°0.0°
C10N09C08C07123.4°56.0°
N09C10C18H21180.0°179.9°
O02C03C04C08179.6°179.6°
O02C03C08N090.6°0.3°
O02C03C04C05180.0°179.7°
O02C03C08C07179.8°179.7°
C03O02C01H12180.0°180.0°
C03O02C01H1360.0°60.0°
C03O02C01H1460.0°60.0°
O02C03C04H150.1°0.3°
C29C26C28O25127.0°125.1°
C26C29C20H28120.4°120.4°
C26C29C20H29120.4°120.3°
C29C26O25C223.5°38.1°
C26C29C20C19175.7°178.6°
C26C29C20C2138.1°59.5°
C26C29C20H380.3°61.5°
C29C26C28H961.7°60.0°
C29C26C28H1058.2°180.0°
C29C26C28H11178.2°60.0°
C29C26C27H25180.0°60.0°
C29C26C27H2660.0°180.0°
C29C26C27H2760.0°60.0°
C26C29H28H29118.8°119.6°
C28C26C29C2078.6°76.8°
C28C26O25C22117.9°85.1°
C26C28H9H10120.0°120.0°
C26C28H9H11120.0°120.0°
C26C28H10H11120.0°120.0°
C28C26C27H2562.8°177.7°
C28C26C27H2657.2°62.3°
C28C26C27H27177.2°57.7°
C28C26C29H28161.0°43.5°
C28C26C29H2941.8°162.8°
O25C26C29C2042.9°47.2°
C26O25C22C2387.9°157.2°
C26O25C22C2138.4°38.0°
C26O25C22C24155.3°85.2°
O25C26C28H965.2°174.9°
O25C26C28H10174.8°54.9°
O25C26C28H1154.8°65.0°
O25C26C27H2553.0°62.2°
O25C26C27H26173.0°57.7°
O25C26C27H2767.0°177.7°
O25C26C29H2877.5°167.6°
O25C26C29H29163.3°73.1°
C29C20C19C21121.8°118.5°
C29C20C19H3105.0°120.8°
C29C20C19N30157.4°146.4°
C29C20C21H3118.4°121.0°
C29C20C21C223.6°59.4°
C29C20C21H4124.6°61.0°
C29C20C21H5117.5°179.8°
C20C29H28H29118.8°119.7°
O25C22C23C21126.7°122.3°
O25C22C23C24116.7°120.0°
O25C22C21C2043.2°47.0°
O25C22C21C24117.0°124.1°
O25C22C21H4164.2°73.4°
O25C22C21H577.9°167.3°
O25C22C24H6180.0°65.1°
O25C22C24H760.0°54.8°
O25C22C24H860.0°174.9°
O25C22C23H22180.0°177.7°
O25C22C23H2360.0°57.7°
O25C22C23H2460.0°62.3°
C23C22C21C2082.9°166.5°
C23C22C21C24116.9°116.4°
C23C22C21H438.1°46.2°
C23C22C21H5156.0°73.1°
C23C22C24H660.5°176.6°
C23C22C24H7179.5°63.4°
C23C22C24H859.5°56.6°
C22C23H22H23120.0°120.0°
C22C23H22H24120.0°120.0°
C22C23H23H24120.0°120.0°
C04C03C08N09179.7°180.0°
C03C04C05H15180.0°180.0°
C04C03C08C070.6°0.1°
C03C04C05C060.1°0.0°
C03C04C05H16180.0°179.9°
C03C08N09C07179.2°180.0°
C03C08N09N30123.7°55.6°
C08C03C04C050.3°0.1°
C03C08C07C060.5°0.0°
C08C03C04H15179.7°180.0°
C03C08C07H18179.5°179.9°
C08N09N30C19179.8°179.7°
N09C08C07C06179.7°180.0°
N09C08C07H180.3°0.1°
N09N30C19C20179.6°179.9°
N30N09C08C0755.5°124.3°
C19C20C21H3132.9°119.9°
C19C20C21C22105.1°178.4°
C19C20C21H415.9°58.0°
C19C20C21H5133.8°61.1°
C20C19C18H210.8°0.0°
C19C20C29H2855.4°61.1°
C19C20C29H2963.9°58.2°
N30C19C20C2180.8°95.1°
N30C19C20H352.4°25.7°
N30C19C18H21179.6°180.0°
C04C05C06H16180.0°179.9°
C04C05C06C070.2°0.1°
C04C05C06H17179.8°180.0°
C08C07C06C050.1°0.1°
C08C07C06H18180.0°179.9°
C08C07C06H17179.9°180.0°
C20C21C22H4121.0°120.4°
C20C21C22H5121.1°120.3°
C20C21C22C24160.1°77.1°
C20C21H4H5116.7°119.5°
C21C20C29H2882.3°179.9°
C21C20C29H29158.5°60.8°
C22C21C20H3121.9°61.6°
C22C21H4H5116.7°119.7°
C21C22C24H659.4°60.0°
C21C22C24H760.6°180.0°
C21C22C24H8179.4°60.0°
C21C22C23H2253.2°60.0°
C21C22C23H23173.3°180.0°
C21C22C23H2466.7°60.0°
C24C22C21H478.8°162.5°
C24C22C21H539.1°43.2°
C22C24H6H7120.0°120.0°
C22C24H6H8120.0°120.0°
C22C24H7H8120.0°120.0°
C24C22C23H2263.3°57.7°
C24C22C23H2356.7°62.3°
C24C22C23H24176.7°177.7°
C05C06C07H17180.0°180.0°
C06C05C04H15179.9°180.0°
C05C06C07H18179.8°180.0°
C07C06C05H16179.9°180.0°
H1C13C12H190.2°0.2°
H2C17C16H200.3°0.0°
H3C20C21H4117.0°178.0°
H3C20C21H50.9°58.8°
H3C20C29H28159.4°58.9°
H3C20C29H2940.1°178.2°
H6C24H7H8120.0°120.0°
H9C28H10H11120.1°120.0°
H12C01H13H14120.0°120.0°
H15C04C05H160.1°0.0°
H16C05C06H170.1°0.0°
H17C06C07H180.2°0.1°
H22C23H23H24120.0°120.0°
H25C27H26H27120.0°120.0°

225399

PDB entries from 2024-09-25

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