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2C5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C38sing1.43Å1.44Å
O2C1sing1.43Å1.44Å
C38C40sing1.51Å1.55Å
C38C12sing1.51Å1.58Å
C38HC38sing1.09Å1.12Å
C40C43doub1.38Å1.43ÅAromatic
C40C47sing1.38Å1.42ÅAromatic
C43C44sing1.38Å1.43ÅAromatic
C43HC43sing1.08Å1.10Å
C44C45doub1.40Å1.41ÅAromatic
C44HC44sing1.08Å1.10Å
C45C46sing1.40Å1.40ÅAromatic
C45C65sing1.43Å1.43Å
C46C47doub1.38Å1.40ÅAromatic
C46HC46sing1.08Å1.10Å
C47HC47sing1.08Å1.10Å
C52C53doub1.38Å1.41ÅAromatic
C52C2sing1.38Å1.41ÅAromatic
C52HC52sing1.08Å1.10Å
C53CL1sing1.74Å1.72Å
C53C7sing1.38Å1.42ÅAromatic
C65N1trip1.14Å1.16Å
C7C3doub1.39Å1.42ÅAromatic
C7HC7sing1.08Å1.10Å
C2C4doub1.38Å1.42ÅAromatic
C2HC2sing1.08Å1.10Å
C3C4sing1.39Å1.41ÅAromatic
C3C13sing1.48Å1.50ÅAromatic
C4HC4sing1.08Å1.10Å
C1C11sing1.51Å1.50Å
C1HC11sing1.09Å1.11Å
C1HC12sing1.09Å1.12Å
N3C10sing1.34Å1.46ÅAromatic
N3C5doub1.31Å1.32ÅAromatic
C10C12doub1.35Å1.36ÅAromatic
C10HC10sing1.08Å1.10Å
C12N4sing1.37Å1.49ÅAromatic
N4C5sing1.35Å1.34ÅAromatic
N4C15sing1.46Å1.47Å
C5HC5sing1.08Å1.10Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
C15H153sing1.09Å1.11Å
N2C11doub1.32Å1.36ÅAromatic
N2C6sing1.32Å1.36ÅAromatic
C11C13sing1.39Å1.42ÅAromatic
C13C14doub1.40Å1.41ÅAromatic
C14C17sing1.40Å1.42ÅAromatic
C14HC14sing1.08Å1.10Å
C17C6doub1.40Å1.42ÅAromatic
C17C9sing1.43Å1.44Å
C6CL2sing1.74Å1.74Å
C9N5trip1.14Å1.15Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C38O2C1122.0°106.8°
O2C38C40109.4°109.5°
O2C38C12106.7°109.4°
O2C38HC38114.6°109.5°
O2C1C11106.0°109.5°
O2C1HC11113.5°109.5°
O2C1HC12113.5°109.5°
C40C38C12117.7°109.4°
C40C38HC38102.9°109.4°
C38C40C43121.6°119.9°
C38C40C47121.2°119.8°
C12C38HC38105.8°109.5°
C38C12C10131.0°126.6°
C38C12N4127.3°126.6°
C43C40C47117.2°120.3°
C40C43C44121.1°120.1°
C40C43HC43119.6°119.9°
C40C47C46121.8°120.2°
C40C47HC47119.7°120.0°
C44C43HC43119.2°120.0°
C43C44C45119.3°119.8°
C43C44HC44120.9°120.1°
C45C44HC44119.8°120.1°
C44C45C46120.2°119.7°
C44C45C65121.0°120.1°
C46C45C65118.8°120.1°
C45C46C47120.4°119.8°
C45C46HC46119.7°120.1°
C45C65N1177.4°180.0°
C47C46HC46119.9°120.1°
C46C47HC47118.5°119.9°
C53C52C2118.5°120.2°
C53C52HC52120.8°119.8°
C52C53CL1119.1°120.0°
C52C53C7121.4°120.0°
C2C52HC52120.7°120.0°
C52C2C4120.2°120.2°
C52C2HC2119.6°119.9°
CL1C53C7119.4°120.0°
C53C7C3120.0°119.9°
C53C7HC7120.0°120.0°
C3C7HC7119.9°120.1°
C7C3C4118.5°119.7°
C7C3C13120.3°120.1°
C4C2HC2120.2°119.9°
C2C4C3121.3°119.9°
C2C4HC4119.7°120.1°
C4C3C13121.2°120.1°
C3C4HC4119.0°120.0°
C3C13C11126.0°120.4°
C3C13C14116.9°120.4°
C11C1HC11113.5°109.5°
C11C1HC12113.5°109.5°
C1C11N2113.9°119.6°
C1C11C13124.8°119.5°
HC11C1HC1297.0°109.4°
C10N3C5103.8°109.3°
N3C10C12112.5°108.0°
N3C10HC10126.8°126.0°
N3C5N4113.6°108.7°
N3C5HC5122.7°125.6°
C12C10HC10120.7°126.0°
C10C12N4101.7°106.8°
C12N4C5108.4°107.2°
C12N4C15127.4°126.4°
C5N4C15124.2°126.4°
N4C5HC5123.7°125.7°
N4C15H151106.0°109.5°
N4C15H152127.4°109.5°
N4C15H153105.9°109.5°
H151C15H152105.9°109.5°
H151C15H153103.4°109.4°
H152C15H153106.0°109.5°
C11N2C6121.8°122.0°
N2C11C13121.3°120.9°
N2C6C17120.6°120.8°
N2C6CL2118.0°119.6°
C11C13C14117.0°119.1°
C13C14C17121.3°118.2°
C13C14HC14119.2°120.9°
C17C14HC14119.5°120.9°
C14C17C6117.9°119.0°
C14C17C9119.9°120.5°
C6C17C9122.2°120.5°
C17C6CL2121.3°119.6°
C17C9N5177.4°180.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C38C40C12121.9°120.0°
O2C38C40HC38122.3°120.1°
O2C38C12HC38122.5°120.1°
O2C38C40C43108.8°145.0°
O2C38C40C4770.3°35.2°
C38O2C1C11159.0°180.0°
C38O2C1HC1133.8°60.0°
C38O2C1HC1275.7°59.9°
O2C38C12C10124.3°155.0°
O2C38C12N456.1°24.5°
C1O2C38C4053.3°150.0°
C1O2C38C12178.4°90.0°
C1O2C38HC3861.6°30.0°
O2C1C11HC11125.2°120.0°
O2C1C11HC12125.3°120.1°
O2C1HC11HC12119.4°119.9°
O2C1C11N270.4°84.5°
O2C1C11C13109.7°95.7°
C40C38C12HC38114.2°119.9°
C38C40C43C47179.0°179.8°
C38C40C43C44178.9°179.9°
C38C40C43HC431.1°0.0°
C38C40C47C46179.1°179.8°
C38C40C47HC470.9°0.1°
C40C38C12C101.0°84.9°
C40C38C12N4179.4°95.5°
C12C38C40C43129.3°95.0°
C12C38C40C4751.7°84.8°
C38C12C10N3179.9°180.0°
C38C12C10N4179.7°179.6°
C38C12C10HC100.1°0.2°
C38C12N4C5179.3°180.0°
C38C12N4C150.3°0.2°
HC38C38C40C4313.5°24.9°
HC38C38C40C47167.5°155.3°
HC38C38C12C10113.2°35.0°
HC38C38C12N466.4°144.5°
C40C43C44HC43180.0°180.0°
C40C43C44C450.1°0.0°
C40C43C44HC44179.9°180.0°
C43C40C47C460.0°0.5°
C43C40C47HC47180.0°179.9°
C47C40C43C440.2°0.3°
C47C40C43HC43179.8°179.7°
C40C47C46C450.3°0.4°
C40C47C46HC47180.0°179.6°
C40C47C46HC46179.7°179.8°
C43C44C45HC44180.0°180.0°
C43C44C45C460.2°0.0°
C43C44C45C65179.2°180.0°
HC43C43C44C45179.9°180.0°
HC43C43C44HC440.1°0.0°
C44C45C46C65179.4°180.0°
C44C45C46C470.4°0.2°
C44C45C46HC46179.6°180.0°
C44C45C65N1105.2°62.8°
HC44C44C45C46179.8°180.0°
HC44C44C45C650.9°0.0°
C45C46C47HC46180.0°179.8°
C45C46C47HC47179.7°180.0°
C46C45C65N174.1°117.3°
C65C45C46C47179.0°179.8°
C65C45C46HC461.0°0.0°
HC46C46C47HC470.3°0.2°
C53C52C2HC52180.0°180.0°
C52C53CL1C7179.7°179.7°
C52C53C7C30.3°0.5°
C52C53C7HC7179.7°180.0°
C53C52C2C40.1°0.0°
C53C52C2HC2179.9°180.0°
C2C52C53CL1179.9°180.0°
C2C52C53C70.2°0.3°
C52C2C4HC2180.0°180.0°
C52C2C4C30.1°0.0°
C52C2C4HC4180.0°180.0°
HC52C52C53CL10.1°0.0°
HC52C52C53C7179.8°179.7°
HC52C52C2C4179.9°180.0°
HC52C52C2HC20.1°0.0°
CL1C53C7C3180.0°179.8°
CL1C53C7HC70.0°0.2°
C53C7C3HC7180.0°179.5°
C53C7C3C40.3°0.5°
C53C7C3C13179.3°179.8°
C7C3C4C20.2°0.2°
C7C3C4C13179.5°179.8°
C7C3C4HC4179.9°179.8°
C7C3C13C11105.2°124.4°
C7C3C13C1476.1°56.0°
HC7C7C3C4179.7°180.0°
HC7C7C3C130.7°0.3°
C2C4C3HC4180.0°180.0°
C2C4C3C13179.4°179.9°
HC2C2C4C3179.9°180.0°
HC2C2C4HC40.0°0.0°
C4C3C13C1175.2°55.9°
C4C3C13C14103.4°123.7°
C13C3C4HC40.6°0.0°
C3C13C11C11.2°0.2°
C3C13C11N2178.7°180.0°
C3C13C11C14178.7°179.6°
C3C13C14C17179.7°180.0°
C3C13C14HC140.4°0.2°
C11C1HC11HC12119.4°120.0°
C1C11N2C13179.9°179.8°
C1C11N2C6179.8°180.0°
C1C11C13C14179.9°179.8°
HC11C1C11N2164.4°35.6°
HC11C1C11C1315.5°144.2°
HC12C1C11N254.9°155.5°
HC12C1C11C13125.0°24.3°
N3C10C12HC10180.0°179.9°
N3C10C12N40.2°0.4°
C10N3C5N41.0°0.1°
C10N3C5HC5179.1°180.0°
C5N3C10C120.7°0.2°
C5N3C10HC10179.3°179.9°
N3C5N4C120.9°0.3°
N3C5N4HC5180.0°179.9°
N3C5N4C15179.9°180.0°
C10C12N4C50.4°0.4°
C10C12N4C15179.4°179.9°
HC10C10C12N4179.8°179.8°
C12N4C5C15179.0°179.7°
C12N4C5HC5179.2°179.8°
C12N4C15H15154.7°90.3°
C12N4C15H152180.0°29.7°
C12N4C15H15354.7°149.8°
C5N4C15H151126.4°90.0°
C5N4C15H1521.1°150.0°
C5N4C15H153124.2°29.9°
C15N4C5HC50.1°0.1°
N4C15H151H152137.6°120.1°
N4C15H151H153111.2°120.0°
N4C15H152H153125.3°120.1°
H151C15H152H153109.4°119.9°
N2C11C13C140.0°0.4°
C11N2C6C170.4°0.1°
C11N2C6CL2179.8°180.0°
C6N2C11C130.2°0.2°
N2C6C17C141.2°0.1°
N2C6C17CL2179.8°179.9°
N2C6C17C9179.8°180.0°
C11C13C14C170.9°0.4°
C11C13C14HC14179.2°179.8°
C13C14C17HC14180.0°179.8°
C13C14C17C61.4°0.2°
C13C14C17C9179.6°179.8°
C14C17C6C9179.0°179.9°
C14C17C6CL2179.0°180.0°
C14C17C9N5138.4°75.4°
HC14C14C17C6178.6°180.0°
HC14C14C17C90.4°0.1°
C6C17C9N542.7°104.6°
C9C17C6CL20.1°0.0°

223166

PDB entries from 2024-07-31

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