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T0E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N3C13sing1.47Å1.47Å
N3C14sing1.47Å1.46Å
C13C12sing1.53Å1.52Å
C14C15sing1.53Å1.52Å
C12C11sing1.53Å1.52Å
C15C16sing1.53Å1.52Å
C15C11sing1.53Å1.53Å
C18C19doub1.38Å1.40ÅAromatic
C18C17sing1.39Å1.41ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
O1C16sing1.43Å1.43Å
O1C17sing1.36Å1.39Å
C11C3sing1.51Å1.50Å
C17C23doub1.39Å1.41ÅAromatic
C20O2sing1.37Å1.36Å
C20C22doub1.39Å1.36ÅAromatic
O2C21sing1.44Å1.44Å
C23C22sing1.38Å1.39ÅAromatic
C22O3sing1.37Å1.36Å
C21O3sing1.44Å1.43Å
C3C4doub1.38Å1.40ÅAromatic
C3C2sing1.39Å1.40ÅAromatic
C4C5sing1.40Å1.40ÅAromatic
C2C1doub1.38Å1.40ÅAromatic
C5C6sing1.48Å1.51Å
C5Cdoub1.40Å1.40ÅAromatic
C1Csing1.38Å1.40ÅAromatic
NC7sing1.46Å1.45Å
NC6sing1.35Å1.34Å
C7C8sing1.51Å1.50Å
C6Odoub1.22Å1.22Å
CFsing1.35Å1.35Å
N2C8sing1.35Å1.33ÅAromatic
N2N1sing1.40Å1.40ÅAromatic
C8C9doub1.35Å1.39ÅAromatic
N1C10doub1.31Å1.35ÅAromatic
C9C10sing1.40Å1.38ÅAromatic
NH1sing0.97Å1.00Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
N2H4sing0.97Å1.00Å
C10H5sing1.08Å1.08Å
C9H6sing1.08Å1.08Å
C4H7sing1.08Å1.08Å
C2H8sing1.08Å1.08Å
C1H9sing1.08Å1.08Å
C11H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
N3H14sing1.01Å1.00Å
C13H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C23H22sing1.08Å1.08Å
C21H23sing1.09Å1.10Å
C19H24sing1.08Å1.08Å
C18H25sing1.08Å1.08Å
C21H15sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13N3C14110.1°111.2°
N3C13C12109.3°109.6°
C13N3H14109.3°111.0°
N3C13H16109.5°109.5°
N3C13H17109.5°109.5°
N3C14C15109.8°109.5°
N3C14H12109.4°109.5°
N3C14H13109.4°109.5°
C14N3H14109.3°111.0°
C13C12C11109.7°109.3°
C12C13H16109.5°109.4°
C12C13H17109.5°109.4°
C13C12H18109.4°109.4°
C13C12H19109.4°109.5°
C14C15C16107.6°109.5°
C14C15C11113.3°109.3°
C14C15H11107.5°109.5°
C15C14H12109.4°109.4°
C15C14H13109.4°109.5°
C12C11C15109.3°109.2°
C12C11C3112.3°109.5°
C12C11H10108.2°109.5°
C11C12H18109.4°109.5°
C11C12H19109.4°109.6°
C16C15C11113.2°109.5°
C15C16O1116.0°109.5°
C16C15H11107.5°109.5°
C15C16H20107.8°109.5°
C15C16H21107.8°109.5°
C15C11C3110.5°109.5°
C15C11H10108.0°109.5°
C11C15H11107.4°109.5°
C19C18C17121.5°120.1°
C18C19C20118.1°120.1°
C18C19H24120.9°120.0°
C19C18H25119.2°119.9°
C18C17O1119.3°120.0°
C18C17C23118.2°120.0°
C17C18H25119.3°120.0°
C19C20O2129.6°131.4°
C19C20C22121.5°119.9°
C20C19H24121.0°119.9°
C16O1C17120.5°117.0°
O1C16H20107.8°109.5°
O1C16H21107.8°109.4°
O1C17C23122.4°120.0°
C11C3C4122.0°119.9°
C11C3C2120.0°119.8°
C3C11H10108.4°109.5°
C17C23C22119.5°120.0°
C17C23H22120.2°120.0°
O2C20C22108.9°108.7°
C20O2C21107.7°105.5°
C20C22C23121.1°119.9°
C20C22O3110.5°108.6°
O2C21O3105.3°103.7°
O2C21H23110.5°110.5°
O2C21H15110.5°110.8°
C23C22O3128.4°131.5°
C22C23H22120.2°120.0°
C22O3C21106.9°105.5°
O3C21H23110.5°110.5°
O3C21H15110.5°110.6°
C4C3C2118.0°120.2°
C3C4C5121.7°119.9°
C3C4H7119.2°120.1°
C3C2C1120.6°120.3°
C3C2H8119.7°119.9°
C4C5C6117.7°120.2°
C4C5C119.8°119.7°
C5C4H7119.2°120.1°
C2C1C121.0°120.2°
C1C2H8119.7°119.8°
C2C1H9119.5°119.9°
C6C5C122.4°120.1°
C5C6N119.8°120.0°
C5C6O117.3°120.0°
C5CC1118.9°119.7°
C5CF121.6°120.1°
C1CF119.5°120.2°
CC1H9119.5°119.9°
C7NC6123.8°120.0°
NC7C8108.5°109.5°
C7NH1118.1°120.0°
NC7H2109.7°109.5°
NC7H3109.7°109.5°
NC6O122.8°120.1°
C6NH1118.1°120.0°
C7C8N2125.9°126.1°
C7C8C9127.4°126.1°
C8C7H2109.7°109.4°
C8C7H3109.7°109.5°
C8N2N1110.2°107.9°
N2C8C9106.7°107.7°
C8N2H4124.9°126.1°
N2N1C10106.6°108.2°
N1N2H4124.9°126.0°
C8C9C10108.2°107.9°
C8C9H6125.9°126.1°
N1C10C9108.2°108.2°
N1C10H5125.9°126.0°
C9C10H5125.9°125.9°
C10C9H6125.9°126.0°
H2C7H3109.5°109.5°
H12C14H13109.5°109.5°
H16C13H17109.5°109.4°
H18C12H19109.5°109.6°
H20C16H21109.5°109.5°
H23C21H15109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13N3C14H14120.1°124.1°
N3C13C12H16120.0°120.0°
N3C13C12H17120.0°120.1°
C13N3C14C1560.4°61.7°
N3C13C12C1162.0°59.1°
C13N3C14H12179.5°58.2°
C13N3C14H1359.7°178.3°
N3C13H16H17120.1°120.0°
N3C13C12H18177.9°60.8°
N3C13C12H1958.0°179.1°
C14N3C13C1265.5°61.7°
N3C14C15H12120.0°120.0°
N3C14C15H13120.1°120.0°
N3C14C15C16179.8°179.1°
N3C14C15C1153.8°59.2°
N3C14C15H1164.7°60.8°
N3C14H12H13119.8°120.0°
C14N3C13H1654.5°58.3°
C14N3C13H17174.5°178.2°
C13C12C11H18120.1°119.8°
C13C12C11H19120.0°120.0°
C13C12C11C1553.9°57.6°
C13C12C11C3176.8°177.5°
C13C12C11H1063.5°62.4°
C12C13N3H1454.6°62.4°
C12C13H16H17120.1°119.9°
C13C12H18H19119.9°120.1°
C14C15C11C1250.8°57.6°
C14C15C16C11126.0°119.8°
C14C15C16H11115.5°120.1°
C14C15C11H11118.6°120.0°
C14C15C16O183.0°65.2°
C14C15C11C3174.8°177.6°
C14C15C11H1066.7°62.3°
C15C14H12H13119.9°120.0°
C15C14N3H1459.7°62.4°
C14C15C16H20156.1°54.8°
C14C15C16H2138.0°174.8°
C12C11C15C16173.7°177.6°
C12C11C15C3124.1°120.0°
C12C11C15H10117.5°120.0°
C12C11C3H10119.5°120.1°
C12C11C3C450.9°120.1°
C12C11C3C2130.5°59.9°
C12C11C15H1167.8°62.3°
C11C12C13H1657.9°61.0°
C11C12C13H17178.0°179.2°
C11C12H18H19119.9°120.2°
C16C15C11H11118.5°120.1°
C15C16O1H20120.9°120.0°
C15C16O1H21120.9°120.0°
C15C16O1C17166.0°180.0°
C16C15C11C362.3°62.5°
C16C15C11H1056.2°57.6°
C16C15C14H1260.2°59.2°
C16C15C14H1359.8°60.8°
C15C16H20H21117.0°120.0°
C11C15C16O143.0°175.0°
C15C11C3H10118.2°120.1°
C15C11C3C471.4°120.1°
C15C11C3C2107.2°59.9°
C11C15C14H12173.9°60.8°
C11C15C14H1366.2°179.2°
C15C11C12H18173.9°62.3°
C15C11C12H1966.2°177.5°
C11C15C16H2077.9°65.0°
C11C15C16H21164.0°55.0°
C19C18C17H25180.0°179.5°
C18C19C20H24180.0°179.7°
C19C18C17O1179.1°179.7°
C19C18C17C230.0°0.5°
C18C19C20O2179.7°179.7°
C18C19C20C220.4°0.3°
C17C18C19C200.5°0.5°
C18C17O1C16163.7°0.2°
C18C17O1C23179.1°179.7°
C18C17C23C220.6°0.2°
C18C17C23H22179.4°179.7°
C17C18C19H24179.5°179.7°
C19C20O2C22179.9°180.0°
C19C20O2C21174.7°162.7°
C19C20C22C230.2°0.0°
C19C20C22O3179.9°180.0°
C20C19C18H25179.5°180.0°
C16O1C17C2315.5°180.0°
O1C16C15H11161.5°54.9°
O1C16H20H21117.1°119.9°
O1C17C23C22179.7°180.0°
C17O1C16H2073.1°60.0°
C17O1C16H2145.1°60.0°
O1C17C23H220.3°0.0°
O1C17C18H250.9°0.3°
C11C3C4C2178.7°180.0°
C11C3C4C5178.9°180.0°
C11C3C2C1179.3°179.7°
C11C3C4H71.1°0.0°
C11C3C2H80.7°0.0°
C3C11C15H1156.3°57.6°
C3C11C12H1863.1°57.7°
C3C11C12H1956.8°62.5°
C17C23C22C200.7°0.0°
C17C23C22H22180.0°180.0°
C17C23C22O3179.7°180.0°
C23C17C18H25180.0°180.0°
O2C20C22C23179.7°180.0°
O2C20C22O30.0°0.0°
C20O2C21O38.2°27.1°
C20O2C21H23111.2°91.4°
O2C20C19H240.3°0.0°
C20O2C21H15127.5°145.7°
C22C20O2C215.2°17.3°
C20C22C23O3179.6°180.0°
C20C22O3C215.2°17.3°
C20C22C23H22179.3°180.0°
C22C20C19H24179.6°180.0°
O2C21O3C228.0°27.1°
O2C21O3H23119.4°118.5°
O2C21O3H15119.3°118.8°
O2C21H23H15121.9°123.0°
C23C22O3C21174.5°162.7°
O3C22C23H220.3°0.0°
C22O3C21H23111.3°91.4°
C22O3C21H15127.4°145.9°
O3C21H23H15121.9°122.8°
C3C4C5H7180.0°179.9°
C4C3C2C10.6°0.3°
C3C4C5C6178.5°180.0°
C3C4C5C0.5°0.3°
C4C3C2H8179.4°180.0°
C4C3C11H10170.3°0.0°
C2C3C4C50.2°0.0°
C3C2C1H8180.0°179.7°
C3C2C1C0.2°0.3°
C2C3C4H7179.8°179.9°
C3C2C1H9179.7°180.0°
C2C3C11H1011.0°180.0°
C4C5C6C178.0°179.7°
C4C5CC10.8°0.3°
C4C5C6N47.5°0.6°
C4C5C6O129.0°179.7°
C4C5CF179.7°179.7°
C2C1CC50.5°0.0°
C2C1CH9180.0°179.7°
C2C1CF179.9°180.0°
C6C5CC1178.7°180.0°
C5C6NC7173.0°179.7°
C5C6NO176.3°179.7°
C6C5CF1.8°0.0°
C5C6NH17.0°0.3°
C6C5C4H71.5°0.1°
C5CC1F179.4°180.0°
CC5C6N134.5°179.7°
CC5C6O49.0°0.0°
CC5C4H7179.5°179.7°
C5CC1H9179.6°179.7°
CC1C2H8179.8°180.0°
C7NC6H1180.0°180.0°
NC7C8H2119.8°120.0°
NC7C8H3119.8°120.0°
C7NC6O3.3°0.0°
NC7C8N259.5°84.7°
NC7C8C9120.1°95.0°
NC7H2H3120.5°120.1°
C6NC7C895.1°180.0°
C6NC7H224.7°60.1°
C6NC7H3145.0°60.0°
C7C8N2C9179.6°179.8°
C7C8N2N1179.9°180.0°
C7C8C9C10179.8°179.9°
C8C7NH184.8°0.0°
C8C7H2H3120.4°120.0°
C7C8N2H40.1°0.0°
C7C8C9H60.1°0.1°
OC6NH1176.7°180.0°
FCC1H90.1°0.3°
C8N2N1H4180.0°180.0°
C8N2N1C100.6°0.0°
N2C8C9C100.2°0.4°
N2C8C7H2179.3°155.3°
N2C8C7H360.4°35.3°
N2C8C9H6179.8°179.9°
N1N2C8C90.5°0.2°
N2N1C10C90.4°0.2°
N2N1C10H5179.6°180.0°
C8C9C10N10.1°0.4°
C8C9C10H6180.0°179.8°
C9C8C7H20.2°25.0°
C9C8C7H3120.1°145.0°
C9C8N2H4179.5°179.8°
C8C9C10H5179.9°179.9°
N1C10C9H5180.0°179.7°
C10N1N2H4179.4°180.0°
N1C10C9H6179.9°179.8°
H1NC7H2155.3°120.0°
H1NC7H335.0°120.0°
H5C10C9H60.1°0.1°
H8C2C1H90.3°0.4°
H10C11C15H11174.7°177.7°
H10C11C12H1856.5°177.8°
H10C11C12H19176.4°57.6°
H11C15C14H1255.4°179.2°
H11C15C14H13175.3°59.2°
H11C15C16H2040.6°174.9°
H11C15C16H2177.6°65.1°
H12C14N3H1460.4°177.7°
H13C14N3H14179.8°57.7°
H14N3C13H16174.5°177.7°
H14N3C13H1765.4°57.7°
H16C13C12H1862.1°179.2°
H16C13C12H19177.9°59.0°
H17C13C12H1857.9°59.3°
H17C13C12H1962.0°60.8°
H24C19C18H250.5°0.3°

223166

PDB entries from 2024-07-31

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