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1C9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5sing1.42Å1.44ÅAromatic
C5C6doub1.40Å1.43ÅAromatic
C5C10sing1.42Å1.42ÅAromatic
C6H6sing1.08Å1.08Å
C8N9sing1.32Å1.35ÅAromatic
C8H8sing1.08Å1.08Å
C10N14sing1.38Å1.43Å
C15C16doub1.39Å1.43ÅAromatic
C15C20sing1.39Å1.43ÅAromatic
C17CLsing1.74Å1.72Å
C17C18doub1.39Å1.42ÅAromatic
C20C19doub1.38Å1.42ÅAromatic
C20H20sing1.08Å1.08Å
C24C23doub1.33Å1.54Å
C24H24sing1.08Å1.08Å
C26C24sing1.47Å1.52Å
C26O27doub1.22Å1.23Å
C19C18sing1.38Å1.42ÅAromatic
C19H19sing1.08Å1.08Å
C3C4doub1.40Å1.41ÅAromatic
C3C2sing1.38Å1.43ÅAromatic
C3H3sing1.08Å1.08Å
C16C17sing1.38Å1.40ÅAromatic
C16H16sing1.08Å1.08Å
C1C6sing1.38Å1.42ÅAromatic
C1N13sing1.40Å1.42Å
C2C1doub1.40Å1.44ÅAromatic
C18F21sing1.35Å1.34Å
C12O11sing1.43Å1.43Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C12H12Bsing1.09Å1.10Å
C23C25sing1.51Å1.53Å
C23H23sing1.08Å1.08Å
C25N33sing1.47Å1.51Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
N7C4sing1.34Å1.36ÅAromatic
N7C8doub1.31Å1.35ÅAromatic
N9C10doub1.33Å1.38ÅAromatic
N14C15sing1.40Å1.42Å
N14HN14sing0.97Å1.00Å
N13C26sing1.35Å1.41Å
N13HN13sing0.97Å1.00Å
O11C2sing1.36Å1.39Å
N33C30sing1.47Å1.54Å
N33C34sing1.47Å1.54Å
C30C31sing1.53Å1.54Å
C31C32sing1.53Å1.54Å
C32C33sing1.53Å1.54Å
C33C34sing1.53Å1.54Å
C30H161sing1.09Å1.10Å
C30H17sing1.09Å1.10Å
C31H18sing1.09Å1.10Å
C31H191sing1.09Å1.10Å
C32H201sing1.09Å1.10Å
C32H21sing1.09Å1.10Å
C33H22sing1.09Å1.10Å
C33H231sing1.09Å1.10Å
C34H241sing1.09Å1.10Å
C34H251sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C5C6119.3°120.0°
C4C5C10115.6°118.2°
C5C4C3119.1°119.6°
C5C4N7122.6°118.6°
C6C5C10125.2°121.9°
C5C6H6119.3°120.2°
C5C6C1121.3°119.5°
C5C10N14119.7°120.9°
C5C10N9121.0°118.3°
H6C6C1119.4°120.2°
N9C8H8117.0°118.5°
N9C8N7126.0°123.0°
C8N9C10117.9°121.4°
H8C8N7117.0°118.5°
N14C10N9119.3°120.9°
C10N14C15126.8°120.0°
C10N14HN14116.6°120.0°
C16C15C20118.3°120.0°
C15C16C17121.2°119.9°
C15C16H16119.4°120.1°
C16C15N14121.8°120.0°
C15C20C19120.6°120.0°
C15C20H20119.7°120.0°
C20C15N14119.9°120.1°
CLC17C18121.6°120.0°
CLC17C16118.5°120.0°
C17C18C19120.3°120.1°
C18C17C16119.9°120.0°
C17C18F21120.9°119.9°
C19C20H20119.7°120.0°
C20C19C18119.7°120.0°
C20C19H19120.2°120.0°
C23C24H24123.9°120.0°
C23C24C26112.2°120.0°
C24C23C25109.2°120.0°
C24C23H23125.4°120.0°
H24C24C26123.9°120.0°
C24C26O27122.0°120.0°
C24C26N13112.1°120.0°
O27C26N13126.0°120.0°
C18C19H19120.2°120.0°
C19C18F21118.8°119.9°
C4C3C2122.0°119.7°
C4C3H3119.0°120.1°
C3C4N7118.3°121.8°
C2C3H3119.0°120.2°
C3C2C1118.8°120.7°
C3C2O11126.0°119.6°
C17C16H16119.4°120.1°
C6C1N13122.7°119.7°
C6C1C2119.5°120.5°
N13C1C2117.8°119.8°
C1N13C26121.8°120.0°
C1N13HN13119.1°120.0°
C1C2O11115.2°119.7°
O11C12H12109.5°109.5°
O11C12H12A109.4°109.5°
O11C12H12B109.4°109.4°
C12O11C2120.0°117.0°
H12C12H12A109.4°109.5°
H12C12H12B109.5°109.4°
H12AC12H12B109.5°109.5°
C25C23H23125.4°120.0°
C23C25N33110.9°109.5°
C23C25H25109.1°109.5°
C23C25H25A109.1°109.5°
N33C25H25109.1°109.5°
N33C25H25A109.1°109.5°
C25N33C3098.8°111.0°
C25N33C34132.3°111.0°
H25C25H25A109.5°109.4°
C4N7C8116.9°120.5°
C15N14HN14116.6°120.0°
C26N13HN13119.1°120.0°
C30N33C34120.0°111.2°
N33C30C31120.0°109.5°
N33C30H161106.8°109.5°
N33C30H17106.8°109.5°
N33C34C33120.0°109.5°
N33C34H241106.8°109.4°
N33C34H251106.8°109.4°
C30C31C32120.0°109.3°
C31C30H161106.8°109.5°
C31C30H17106.8°109.4°
C30C31H18106.8°109.5°
C30C31H191106.8°109.5°
C31C32C33120.0°109.2°
C32C31H18106.8°109.5°
C32C31H191106.8°109.5°
C31C32H201106.8°109.5°
C31C32H21106.8°109.5°
C32C33C34120.0°109.3°
C33C32H201106.8°109.5°
C33C32H21106.8°109.6°
C32C33H22106.8°109.5°
C32C33H231106.8°109.5°
C34C33H22106.8°109.5°
C34C33H231106.8°109.4°
C33C34H241106.8°109.5°
C33C34H251106.8°109.5°
H161C30H17109.5°109.4°
H18C31H191109.5°109.5°
H201C32H21109.5°109.5°
H22C33H231109.5°109.6°
H241C34H251109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C5C6C10179.9°179.9°
C4C5C6H6179.9°180.0°
C4C5C10N14179.4°180.0°
C5C4C3N7179.9°179.7°
C5C4C3C20.5°0.0°
C5C4C3H3179.4°180.0°
C4C5C6C10.1°0.1°
C5C4N7C80.1°0.0°
C4C5C10N90.5°0.0°
C5C6H6C1180.0°179.9°
C6C5C10N140.7°0.1°
C6C5C4C30.7°0.0°
C5C6C1N13178.4°180.0°
C5C6C1C20.6°0.1°
C6C5C4N7179.4°179.7°
C6C5C10N9179.4°179.9°
C10C5C6H60.0°0.1°
C5C10N9C80.1°0.5°
C5C10N14N9179.9°180.0°
C10C5C4C3179.4°180.0°
C10C5C6C1180.0°180.0°
C10C5C4N70.5°0.3°
C5C10N14C15154.6°175.2°
C5C10N14HN1425.4°4.8°
H6C6C1N131.6°0.1°
H6C6C1C2179.4°180.0°
N9C8H8N7180.0°179.2°
C8N9C10N14179.8°179.5°
N9C8N7C40.4°0.5°
H8C8N7C4179.6°179.7°
H8C8N9C10179.6°180.0°
C10N14C15C1628.5°145.0°
C10N14C15C20151.3°35.2°
C10N14C15HN14180.0°180.0°
C16C15C20N14179.7°179.8°
C15C16C17CL179.8°180.0°
C15C16C17C180.0°0.0°
C16C15C20C190.1°0.1°
C16C15C20H20179.9°179.9°
C15C16C17H16180.0°179.9°
C16C15N14HN14151.5°35.0°
C15C20C19H20180.0°180.0°
C15C20C19C180.1°0.1°
C15C20C19H19179.9°180.0°
C20C15C16C170.1°0.1°
C20C15C16H16179.9°180.0°
C20C15N14HN1428.7°144.8°
CLC17C18C16179.8°180.0°
CLC17C18C19179.8°180.0°
CLC17C16H160.2°0.1°
CLC17C18F210.1°0.0°
C17C18C19C200.0°0.0°
C17C18C19F21179.9°180.0°
C17C18C19H19180.0°179.9°
C18C17C16H16180.0°179.9°
C20C19C18H19180.0°179.9°
C20C19C18F21179.9°179.9°
C19C20C15N14179.6°179.7°
H20C20C19C18179.9°179.9°
H20C20C19H190.1°0.0°
H20C20C15N140.4°0.3°
C23C24H24C26180.0°180.0°
C23C24C26O270.0°0.0°
C24C23C25H23180.0°180.0°
C24C23C25N33165.3°125.0°
C24C23C25H2545.0°115.0°
C24C23C25H25A74.5°4.9°
C23C24C26N13178.5°180.0°
H24C24C26O27180.0°180.0°
H24C24C23C2510.2°0.0°
H24C24C23H23169.9°180.0°
H24C24C26N131.5°0.0°
C24C26O27N13178.3°179.9°
C24C26N13C1178.2°174.4°
C26C24C23C25169.9°180.0°
C26C24C23H2310.1°0.0°
C24C26N13HN131.8°5.5°
O27C26N13C10.2°5.6°
O27C26N13HN13179.8°174.4°
C19C18C17C160.0°0.0°
H19C19C18F210.1°0.0°
C4C3C2H3180.0°180.0°
C4C3C2C10.2°0.1°
C3C4N7C8179.8°179.7°
C4C3C2O11179.9°180.0°
C3C2C1C60.7°0.1°
C3C2C1N13178.3°180.0°
C3C2C1O11179.9°179.9°
C3C2O11C120.7°0.1°
C2C3C4N7179.5°179.7°
H3C3C2C1179.9°179.9°
H3C3C4N70.5°0.3°
H3C3C2O110.0°0.1°
C16C17C18F21179.8°179.9°
C17C16C15N14179.6°179.7°
H16C16C15N140.3°0.2°
C6C1N13C2179.0°179.9°
C6C1N13C2652.8°24.9°
C6C1N13HN13127.3°155.1°
C6C1C2O11179.4°180.0°
C1N13C26HN13180.0°180.0°
N13C1C2O111.6°0.1°
C1C2O11C12179.4°180.0°
C2C1N13C26126.3°155.2°
C2C1N13HN1353.7°24.9°
O11C12H12H12A120.0°120.1°
O11C12H12H12B120.0°119.9°
O11C12H12AH12B120.0°120.0°
H12C12H12AH12B120.0°120.0°
H12C12O11C2180.0°60.1°
H12AC12O11C260.0°60.0°
H12BC12O11C260.0°180.0°
C23C25N33H25120.2°120.0°
C23C25N33H25A120.2°120.1°
C23C25H25H25A119.3°120.0°
C23C25N33C30163.7°170.0°
C23C25N33C3418.2°65.8°
H23C23C25N3314.7°55.0°
H23C23C25H25134.9°65.0°
H23C23C25H25A105.5°175.0°
N33C25H25H25A119.4°120.0°
C25N33C30C34151.1°124.1°
C25N33C30C31151.1°174.2°
C25N33C34C33139.8°174.1°
C25N33C30H16187.4°54.1°
C25N33C30H1729.6°65.8°
C25N33C34H24118.3°65.8°
C25N33C34H25198.8°54.1°
H25C25N33C3076.1°50.0°
H25C25N33C34138.4°174.2°
H25AC25N33C3043.5°70.0°
H25AC25N33C34102.0°54.3°
N7C8N9C100.4°0.8°
N9C10N14C1525.3°4.8°
N9C10N14HN14154.7°175.2°
N33C30C31H161121.5°120.0°
N33C30C31H17121.5°120.0°
N33C30C31C320.0°59.2°
C30N33C34C330.0°61.8°
N33C30H161H17115.2°120.0°
N33C30C31H18121.5°60.8°
N33C30C31H191121.5°179.1°
C30N33C34H241121.5°58.3°
C30N33C34H251121.5°178.2°
C34N33C30C310.0°61.8°
N33C34C33C320.0°59.2°
N33C34C33H241121.5°120.0°
N33C34C33H251121.5°120.0°
C34N33C30H161121.5°178.2°
C34N33C30H17121.5°58.3°
N33C34C33H22121.5°60.8°
N33C34C33H231121.5°179.1°
N33C34H241H251115.2°119.9°
C30C31C32H18121.5°119.9°
C30C31C32H191121.5°119.9°
C30C31C32C330.0°57.7°
C31C30H161H17115.2°119.9°
C30C31H18H191115.2°120.1°
C30C31C32H201121.5°177.6°
C30C31C32H21121.5°62.3°
C31C32C33H201121.5°119.9°
C31C32C33H21121.5°119.9°
C31C32C33C340.0°57.7°
C32C31C30H161121.5°179.2°
C32C31C30H17121.5°60.8°
C32C31H18H191115.2°120.1°
C31C32H201H21115.2°120.1°
C31C32C33H22121.5°62.3°
C31C32C33H231121.5°177.6°
C32C33C34H22121.5°120.0°
C32C33C34H231121.5°119.9°
C33C32C31H18121.5°62.3°
C33C32C31H191121.5°177.6°
C33C32H201H21115.3°120.2°
C32C33H22H231115.2°120.1°
C32C33C34H241121.5°60.8°
C32C33C34H251121.5°179.2°
C34C33C32H201121.5°177.6°
C34C33C32H21121.5°62.2°
C34C33H22H231115.2°120.1°
C33C34H241H251115.2°120.0°
H161C30C31H180.0°59.3°
H161C30C31H191117.0°60.8°
H17C30C31H18117.0°179.2°
H17C30C31H1910.0°59.1°
H18C31C32H2010.0°57.7°
H18C31C32H21117.0°177.8°
H191C31C32H201117.0°62.5°
H191C31C32H210.0°57.7°
H201C32C33H220.0°57.7°
H201C32C33H231117.0°62.5°
H21C32C33H22117.0°177.8°
H21C32C33H2310.0°57.7°
H22C33C34H241117.0°179.2°
H22C33C34H2510.0°59.2°
H231C33C34H2410.0°59.1°
H231C33C34H251117.0°60.9°

222415

PDB entries from 2024-07-10

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