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E4U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C9sing1.53Å1.53Å
O13B7sing1.42Å1.37Å
C9C8sing1.53Å1.56Å
C9C10sing1.53Å1.54Å
C8C6sing1.53Å1.56Å
B7C6sing1.57Å1.61Å
B7O12sing1.42Å1.38Å
CL2C27sing1.74Å1.78Å
C6N3sing1.46Å1.48Å
N3C2sing1.35Å1.45Å
C17C18sing1.51Å1.52Å
C17C1sing1.53Å1.56Å
C2C1sing1.51Å1.59Å
C2O4doub1.21Å1.20Å
C19C18doub1.34Å1.41ÅAromatic
C19N20sing1.37Å1.32ÅAromatic
O16C14doub1.22Å1.19Å
C18C22sing1.46Å1.44ÅAromatic
C1N5sing1.46Å1.39Å
C27C28doub1.38Å1.39ÅAromatic
C27C15sing1.40Å1.38ÅAromatic
C14N5sing1.35Å1.43Å
C14C15sing1.48Å1.53Å
C28C29sing1.38Å1.38ÅAromatic
N20C21sing1.38Å1.37ÅAromatic
C15C31doub1.40Å1.39ÅAromatic
C22C21doub1.41Å1.38ÅAromatic
C22C26sing1.40Å1.43ÅAromatic
C21C23sing1.39Å1.41ÅAromatic
C26C25doub1.37Å1.41ÅAromatic
C29C30doub1.39Å1.39ÅAromatic
C31C30sing1.38Å1.40ÅAromatic
C23C24doub1.38Å1.40ÅAromatic
C30CL3sing1.74Å1.79Å
C25C24sing1.39Å1.40ÅAromatic
N3H1sing0.97Å1.00Å
C6H2sing1.09Å1.10Å
C8H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C24H10sing1.08Å1.08Å
C26H11sing1.08Å1.08Å
C28H12sing1.08Å1.08Å
C1H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C19H17sing1.08Å1.08Å
C23H18sing1.08Å1.08Å
C25H19sing1.08Å1.08Å
C29H20sing1.08Å1.08Å
C31H21sing1.08Å1.08Å
C9H22sing1.09Å1.10Å
N20H23sing0.97Å1.00Å
N5H24sing0.97Å1.00Å
O12H25sing0.97Å0.95Å
O13H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C9C8110.8°109.4°
C11C9C10105.8°109.5°
C9C11H14109.5°109.4°
C9C11H15109.5°109.4°
C9C11H16109.5°109.5°
C11C9H22107.3°109.5°
O13B7C6119.8°120.0°
O13B7O12117.7°119.9°
B7O13H26109.5°114.0°
C8C9C10118.3°109.4°
C9C8C6125.9°109.5°
C9C8H3105.2°109.5°
C9C8H4105.2°109.5°
C8C9H22107.0°109.5°
C9C10H5109.5°109.4°
C9C10H6109.5°109.5°
C9C10H7109.5°109.4°
C10C9H22107.2°109.5°
C8C6B7115.3°109.5°
C8C6N3105.9°109.5°
C8C6H2107.4°109.5°
C6C8H3105.2°109.5°
C6C8H4105.2°109.4°
C6B7O12121.5°120.0°
B7C6N3112.9°109.5°
B7C6H2106.7°109.4°
B7O12H25109.5°114.0°
CL2C27C28120.7°120.1°
CL2C27C15118.5°120.1°
C6N3C2117.2°120.1°
C6N3H1121.4°120.0°
N3C6H2108.3°109.4°
N3C2C1130.8°120.1°
N3C2O4110.4°120.0°
C2N3H1121.4°120.0°
C18C17C199.6°109.5°
C17C18C19126.0°126.5°
C17C18C22128.0°126.6°
C18C17H8111.9°109.4°
C18C17H9111.9°109.5°
C17C1C2128.1°109.4°
C17C1N592.0°109.5°
C1C17H8111.9°109.5°
C1C17H9111.9°109.5°
C17C1H13105.8°109.5°
C1C2O4118.8°120.0°
C2C1N5115.9°109.5°
C2C1H13105.5°109.5°
C18C19N20109.1°109.9°
C19C18C22105.8°107.0°
C18C19H17125.5°125.0°
C19N20C21110.0°109.9°
N20C19H17125.4°125.1°
C19N20H23125.0°125.1°
O16C14N5123.6°120.0°
O16C14C15129.9°120.0°
C18C22C21106.1°106.1°
C18C22C26134.0°134.0°
C1N5C14132.3°120.0°
N5C1H13107.7°109.5°
C1N5H24113.9°120.0°
C28C27C15120.7°119.8°
C27C28C29119.9°120.2°
C27C28H12120.0°119.9°
C27C15C14119.2°120.1°
C27C15C31119.7°119.7°
N5C14C15106.5°120.0°
C14N5H24113.8°120.0°
C14C15C31120.7°120.1°
C28C29C30119.9°120.3°
C29C28H12120.1°119.9°
C28C29H20120.0°119.9°
N20C21C22108.9°107.2°
N20C21C23131.5°133.4°
C21N20H23125.0°125.1°
C15C31C30119.6°119.8°
C15C31H21120.2°120.1°
C21C22C26119.8°120.0°
C22C21C23119.6°119.4°
C22C26C25120.4°119.7°
C22C26H11119.8°120.2°
C21C23C24120.9°119.7°
C21C23H18119.5°120.1°
C26C25C24119.2°120.5°
C25C26H11119.8°120.1°
C26C25H19120.4°119.7°
C29C30C31120.0°120.1°
C29C30CL3119.9°120.0°
C30C29H20120.0°119.8°
C31C30CL3120.1°119.9°
C30C31H21120.2°120.1°
C23C24C25120.1°120.7°
C23C24H10120.0°119.7°
C24C23H18119.5°120.1°
C25C24H10119.9°119.6°
C24C25H19120.4°119.7°
H3C8H4109.5°109.5°
H5C10H6109.5°109.5°
H5C10H7109.5°109.4°
H6C10H7109.4°109.5°
H8C17H9109.5°109.5°
H14C11H15109.4°109.5°
H14C11H16109.5°109.5°
H15C11H16109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C9C8C10122.3°120.0°
C11C9C8H22116.6°120.0°
C11C9C10H22114.2°120.1°
C11C9C8C6165.2°175.0°
C11C9C8H343.0°65.0°
C11C9C8H472.6°55.1°
C11C9C10H5180.0°60.0°
C11C9C10H660.0°180.0°
C11C9C10H760.0°59.9°
C9C11H14H15120.0°119.9°
C9C11H14H16120.0°120.0°
C9C11H15H16120.0°120.0°
O13B7C6C844.9°90.0°
O13B7C6O12168.5°179.9°
O13B7C6N377.1°30.1°
O13B7C6H2164.1°150.0°
O13B7O12H25180.0°180.0°
C8C9C10H22120.9°120.0°
C9C8C6H3122.2°120.0°
C9C8C6H4122.2°120.0°
C9C8C6B772.3°60.0°
C9C8C6N3162.0°180.0°
C9C8C6H246.5°60.0°
C9C8H3H4112.6°120.0°
C8C9C10H555.1°179.9°
C8C9C10H664.9°60.0°
C8C9C10H7175.2°60.0°
C8C9C11H14180.0°60.0°
C8C9C11H1560.0°180.0°
C8C9C11H1660.0°60.0°
C10C9C8C672.5°65.0°
C10C9C8H3165.3°55.0°
C10C9C8H449.7°175.0°
C9C10H5H6120.0°120.0°
C9C10H5H7120.0°119.9°
C9C10H6H7120.0°120.0°
C10C9C11H1450.6°180.0°
C10C9C11H1569.3°60.0°
C10C9C11H16170.7°60.0°
C8C6B7N3122.0°120.0°
C8C6B7H2119.2°120.0°
C8C6B7O12146.6°90.0°
C8C6N3H2114.9°120.0°
C8C6N3C2105.4°135.0°
C8C6N3H174.6°45.3°
C6C8H3H4112.7°120.0°
C6C8C9H2248.6°55.0°
B7C6N3H2117.9°119.9°
B7C6N3C2127.4°104.9°
B7C6N3H152.6°74.7°
B7C6C8H349.9°180.0°
B7C6C8H4165.5°60.0°
C6B7O12H2511.2°0.0°
C6B7O13H26180.0°0.0°
O12B7C6N391.5°150.0°
O12B7C6H227.4°30.0°
O12B7O13H2611.1°180.0°
CL2C27C28C15177.5°180.0°
CL2C27C15C145.1°0.3°
CL2C27C28C29179.9°180.0°
CL2C27C15C31177.9°180.0°
CL2C27C28H120.1°0.3°
C6N3C2H1180.0°179.6°
C6N3C2C1177.8°179.8°
C6N3C2O42.5°0.3°
N3C6C8H375.8°60.0°
N3C6C8H439.8°60.0°
N3C2C1C1737.7°60.1°
N3C2C1O4179.6°179.9°
N3C2C1N577.9°180.0°
C2N3C6H29.5°15.0°
N3C2C1H13163.0°59.9°
C18C17C1H8118.4°120.0°
C18C17C1H9118.4°120.0°
C18C17C1C2131.0°175.0°
C17C18C19C22174.8°180.0°
C17C18C19N20177.9°179.8°
C18C17C1N5103.3°65.0°
C17C18C22C21177.6°180.0°
C17C18C22C264.1°0.0°
C18C17H8H9124.6°120.0°
C18C17C1H135.8°55.1°
C17C18C19H172.1°0.1°
C17C1C2N5115.6°120.0°
C17C1C2H13125.3°120.0°
C17C1C2O4142.7°120.0°
C1C17C18C1997.1°95.0°
C1C17C18C2276.5°85.0°
C17C1N5H13107.3°120.0°
C17C1N5C14113.7°85.0°
C1C17H8H9124.6°120.0°
C17C1N5H2466.3°95.0°
C2C1N5H13117.9°120.0°
C2C1N5C1421.1°155.0°
C1C2N3H12.2°0.1°
C2C1C17H812.6°65.0°
C2C1C17H9110.7°55.0°
C2C1N5H24158.9°24.9°
O4C2C1N5101.7°0.1°
O4C2N3H1177.5°180.0°
O4C2C1H1317.4°120.0°
C18C19N20H17180.0°179.7°
C18C19N20C212.0°0.4°
C19C18C22C213.0°0.0°
C19C18C22C26178.7°180.0°
C19C18C17H821.3°145.0°
C19C18C17H9144.6°25.0°
C18C19N20H23178.0°180.0°
N20C19C18C223.1°0.2°
C19N20C21H23180.0°179.7°
C19N20C21C220.1°0.4°
C19N20C21C23178.3°179.9°
O16C14N5C13.6°0.1°
O16C14C15C2755.8°0.3°
O16C14N5C15178.1°179.9°
O16C14C15C31131.4°180.0°
O16C14N5H24176.4°180.0°
C18C22C21N201.9°0.2°
C18C22C21C26178.6°180.0°
C18C22C21C23179.5°180.0°
C18C22C26C25177.8°180.0°
C22C18C17H8165.1°35.0°
C22C18C17H941.8°155.0°
C18C22C26H112.2°0.1°
C22C18C19H17176.9°180.0°
C1N5C14H24180.0°179.9°
C1N5C14C15174.5°180.0°
N5C1C17H8138.4°55.0°
N5C1C17H915.1°175.0°
C28C27C15C14177.3°179.7°
C27C28C29H12180.0°179.7°
C28C27C15C314.5°0.0°
C27C28C29C300.4°0.3°
C27C28C29H20179.6°179.8°
C27C15C14N5122.1°179.7°
C27C15C14C31172.7°179.7°
C15C27C28C292.6°0.0°
C27C15C31C304.2°0.3°
C15C27C28H12177.4°179.7°
C27C15C31H21175.8°179.7°
N5C14C15C3150.6°0.0°
C14N5C1H13139.0°35.0°
C14C15C31C30176.9°180.0°
C14C15C31H213.1°0.0°
C15C14N5H245.5°0.0°
C28C29C30H20180.0°179.9°
C28C29C30C310.2°0.5°
C28C29C30CL3179.9°180.0°
N20C21C22C23178.6°179.8°
N20C21C22C26179.5°179.8°
N20C21C23C24179.6°179.8°
C21N20C19H17178.0°179.9°
N20C21C23H180.4°0.2°
C15C31C30C292.1°0.5°
C15C31C30H21180.0°180.0°
C15C31C30CL3178.0°180.0°
C21C22C26C250.3°0.0°
C22C21C23C241.4°0.0°
C21C22C26H11179.7°179.9°
C22C21C23H18178.6°180.0°
C22C21N20H23180.0°180.0°
C26C22C21C230.9°0.1°
C22C26C25H11180.0°179.9°
C22C26C25C241.2°0.0°
C22C26C25H19178.8°180.0°
C21C23C24H18180.0°180.0°
C21C23C24C250.5°0.1°
C21C23C24H10179.5°179.9°
C23C21N20H231.7°0.2°
C26C25C24C230.8°0.1°
C26C25C24H19180.0°179.9°
C26C25C24H10179.2°179.9°
C29C30C31CL3179.9°179.5°
C30C29C28H12179.6°180.0°
C29C30C31H21177.9°179.4°
C31C30C29H20179.8°179.5°
C23C24C25H10180.0°179.8°
C23C24C25H19179.3°180.0°
CL3C30C29H200.1°0.0°
CL3C30C31H212.0°0.1°
C24C25C26H11178.8°179.9°
C25C24C23H18179.5°179.9°
H1N3C6H2170.5°165.3°
H2C6C8H3168.7°60.0°
H2C6C8H475.7°180.0°
H3C8C9H2273.6°175.0°
H4C8C9H22170.8°65.0°
H5C10H6H7120.0°120.0°
H5C10C9H2265.8°60.1°
H6C10C9H22174.2°59.9°
H7C10C9H2254.2°180.0°
H8C17C1H13112.5°175.0°
H9C17C1H13124.2°64.9°
H10C24C23H180.5°0.1°
H10C24C25H190.8°0.1°
H11C26C25H191.2°0.1°
H12C28C29H200.4°0.1°
H13C1N5H2441.0°145.0°
H14C11H15H16120.0°120.1°
H14C11C9H2263.5°59.9°
H15C11C9H22176.5°60.0°
H16C11C9H2256.5°180.0°
H17C19N20H232.0°0.3°

224931

PDB entries from 2024-09-11

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