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13U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O22C7doub1.21Å1.23Å
C7N23sing1.35Å1.30Å
C7C1sing1.51Å1.50Å
N23C24sing1.46Å1.41Å
C24C25sing1.51Å1.48Å
C25C26doub1.38Å1.38ÅAromatic
C25C30sing1.38Å1.39ÅAromatic
C26C27sing1.38Å1.38ÅAromatic
C27C28doub1.39Å1.38ÅAromatic
C28C21sing1.48Å1.51Å
C28C29sing1.39Å1.38ÅAromatic
C21N46doub1.30Å1.32Å
C21N47sing1.38Å1.33Å
C29C30doub1.38Å1.38ÅAromatic
C1C2sing1.55Å1.52Å
C1N1sing1.47Å1.42Å
C2C3sing1.55Å1.51Å
C3C4sing1.54Å1.51Å
C4N1sing1.47Å1.50Å
N1C14sing1.35Å1.35Å
C14O32doub1.21Å1.23Å
C14C5sing1.51Å1.54Å
C5N21sing1.47Å1.44Å
N21C49sing1.47Å1.45Å
C49C48sing1.53Å1.52Å
C49C42sing1.53Å1.52Å
C48C47sing1.53Å1.53Å
C47C46sing1.53Å1.52Å
C46C45sing1.53Å1.53Å
C45C44sing1.53Å1.52Å
C44C43sing1.53Å1.52Å
C43C42sing1.53Å1.52Å
N23HN23sing0.97Å1.00Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
N46HN46sing0.97Å1.00Å
N47HN47sing0.97Å1.00Å
N47HN4Asing0.97Å1.00Å
C29H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
N21HN21sing1.01Å1.00Å
C49H49sing1.09Å1.10Å
C48H48sing1.09Å1.10Å
C48H48Asing1.09Å1.10Å
C47H47sing1.09Å1.10Å
C47H47Asing1.09Å1.10Å
C46H46sing1.09Å1.10Å
C46H46Asing1.09Å1.10Å
C45H45sing1.09Å1.10Å
C45H45Asing1.09Å1.10Å
C44H44sing1.09Å1.10Å
C44H44Asing1.09Å1.10Å
C43H43sing1.09Å1.10Å
C43H43Asing1.09Å1.10Å
C42H42sing1.09Å1.10Å
C42H42Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O22C7N23115.7°120.0°
O22C7C1119.2°120.0°
N23C7C1125.1°120.0°
C7N23C24125.1°120.0°
C7N23HN23117.4°120.0°
C7C1C2108.9°110.4°
C7C1N1119.1°110.4°
C7C1H1101.6°110.3°
N23C24C25114.6°109.5°
C24N23HN23117.4°120.0°
N23C24H24107.8°109.5°
N23C24H24A106.6°109.5°
C24C25C26121.9°119.9°
C24C25C30120.1°119.9°
C25C24H24107.8°109.5°
C25C24H24A106.6°109.4°
C26C25C30118.0°120.3°
C25C26C27121.5°120.2°
C25C26H26119.2°119.9°
C25C30C29120.1°120.1°
C25C30H30119.9°119.9°
C26C27C28120.8°119.9°
C27C26H26119.2°119.9°
C26C27H27119.6°120.1°
C27C28C21121.9°120.1°
C27C28C29117.5°119.8°
C28C27H27119.6°120.1°
C21C28C29120.6°120.1°
C28C21N46119.9°120.0°
C28C21N47120.4°120.0°
C28C29C30122.0°119.9°
C28C29H29119.0°120.1°
N46C21N47119.7°120.0°
C21N46HN46108.5°120.0°
C21N47HN47108.5°120.0°
C21N47HN4A125.7°120.0°
C30C29H29119.0°120.0°
C29C30H30120.0°120.0°
C2C1N1104.1°104.8°
C1C2C3111.2°101.6°
C2C1H1117.2°110.4°
C1C2H2108.9°111.0°
C1C2H2A108.5°111.0°
C1N1C4113.1°108.7°
C1N1C14123.9°125.7°
N1C1H1106.6°110.4°
C2C3C4104.0°102.9°
C3C2H2108.9°111.0°
C3C2H2A108.5°111.0°
C2C3H3111.3°110.7°
C2C3H3A112.5°110.7°
C3C4N1106.4°107.3°
C4C3H3111.3°110.8°
C4C3H3A112.5°110.7°
C3C4H4110.5°109.8°
C3C4H4A111.2°109.9°
C4N1C14122.5°125.6°
N1C4H4110.5°109.9°
N1C4H4A111.2°109.9°
N1C14O32111.2°120.0°
N1C14C5115.6°120.0°
O32C14C5133.2°120.0°
C14C5N21121.3°109.5°
C14C5H5105.7°109.5°
C14C5H5A102.9°109.5°
C5N21C49129.7°111.0°
N21C5H5105.7°109.5°
N21C5H5A102.9°109.5°
C5N21HN21103.2°111.0°
N21C49C48112.5°109.5°
N21C49C42108.3°109.5°
C49N21HN21103.2°111.0°
N21C49H49115.7°109.4°
C48C49C42124.0°109.5°
C49C48C47121.7°109.5°
C48C49H4994.8°109.5°
C49C48H48105.6°109.5°
C49C48H48A102.7°109.5°
C49C42C43129.5°109.5°
C42C49H49100.4°109.5°
C49C42H42103.3°109.4°
C49C42H42A98.6°109.5°
C48C47C46133.5°109.5°
C47C48H48105.6°109.5°
C47C48H48A102.7°109.5°
C48C47H47102.1°109.5°
C48C47H47A96.6°109.5°
C47C46C45119.0°109.5°
C46C47H47102.1°109.5°
C46C47H47A96.6°109.5°
C47C46H46106.4°109.5°
C47C46H46A104.2°109.5°
C46C45C44114.2°109.5°
C45C46H46106.4°109.5°
C45C46H46A104.2°109.5°
C46C45H45107.9°109.5°
C46C45H45A106.9°109.5°
C45C44C43122.5°109.4°
C44C45H45108.0°109.4°
C44C45H45A106.9°109.4°
C45C44H44105.4°109.4°
C45C44H44A102.3°109.5°
C44C43C42125.2°109.5°
C43C44H44105.3°109.5°
C43C44H44A102.3°109.5°
C44C43H43104.5°109.5°
C44C43H43A100.8°109.5°
C42C43H43104.5°109.5°
C42C43H43A100.8°109.5°
C43C42H42103.3°109.5°
C43C42H42A98.6°109.5°
H24C24H24A113.6°109.4°
HN47N47HN4A125.8°120.0°
H2C2H2A110.8°110.9°
H3C3H3A105.4°110.7°
H4C4H4A107.1°110.0°
H5C5H5A119.3°109.4°
H48C48H48A119.6°109.4°
H47C47H47A131.0°109.4°
H46C46H46A117.3°109.5°
H45C45H45A113.2°109.5°
H44C44H44A120.4°109.5°
H43C43H43A122.9°109.5°
H42C42H42A126.9°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O22C7N23C1178.8°179.8°
O22C7N23C243.9°0.0°
O22C7C1C291.8°86.3°
O22C7C1N127.2°29.1°
O22C7N23HN23176.2°180.0°
O22C7C1H1143.8°151.5°
C7N23C24HN23180.0°179.9°
C7N23C24C25107.6°180.0°
N23C7C1C289.4°93.9°
N23C7C1N1151.6°150.6°
C7N23C24H24132.4°60.0°
C7N23C24H24A10.1°60.0°
N23C7C1H134.9°28.3°
C1C7N23C24174.9°179.8°
C7C1C2N1128.0°118.9°
C7C1C2H1114.5°122.3°
C7C1N1H1114.0°122.3°
C7C1C2C3131.8°155.9°
C7C1N1C4118.2°143.0°
C7C1N1C1453.8°37.0°
C1C7N23HN235.1°0.2°
C7C1C2H211.7°37.8°
C7C1C2H2A109.0°86.1°
N23C24C25H24120.0°120.1°
N23C24C25H24A117.7°120.0°
N23C24C25C2678.9°90.0°
N23C24C25C30101.2°90.3°
N23C24H24H24A117.9°120.1°
C24C25C26C30180.0°179.8°
C24C25C26C27180.0°180.0°
C24C25C30C29179.9°179.7°
C25C24N23HN2372.4°0.0°
C25C24H24H24A117.9°119.9°
C24C25C26H260.0°0.1°
C24C25C30H300.0°0.0°
C25C26C27H26180.0°180.0°
C25C26C27C280.0°0.0°
C26C25C30C290.1°0.6°
C26C25C24H24161.2°30.1°
C26C25C24H24A38.8°150.0°
C25C26C27H27180.0°180.0°
C26C25C30H30179.9°179.8°
C30C25C26C270.1°0.3°
C25C30C29C280.1°0.6°
C25C30C29H30180.0°179.6°
C30C25C24H2418.8°149.7°
C30C25C24H24A141.1°29.7°
C30C25C26H26179.9°179.7°
C25C30C29H29179.9°179.7°
C26C27C28H27180.0°180.0°
C26C27C28C21180.0°180.0°
C26C27C28C290.0°0.0°
C27C28C21C29180.0°180.0°
C27C28C21N4629.2°0.0°
C27C28C21N47150.8°180.0°
C27C28C29C300.0°0.3°
C28C27C26H26180.0°180.0°
C27C28C29H29180.0°179.9°
C28C21N46N47180.0°180.0°
C21C28C29C30180.0°179.7°
C21C28C27H270.0°0.0°
C28C21N46HN46180.0°180.0°
C28C21N47HN470.0°0.1°
C28C21N47HN4A180.0°180.0°
C21C28C29H290.0°0.0°
C29C28C21N46150.8°180.0°
C29C28C21N4729.2°0.0°
C28C29C30H29180.0°179.7°
C29C28C27H27180.0°180.0°
C28C29C30H30180.0°179.8°
N46C21N47HN47180.0°180.0°
N46C21N47HN4A0.0°0.0°
N47C21N46HN460.0°0.0°
C21N47HN47HN4A180.0°179.9°
C2C1N1H1124.6°118.9°
C1C2C3H2120.0°118.1°
C1C2C3H2A119.3°118.1°
C1C2C3C48.9°35.5°
C2C1N1C43.2°24.1°
C2C1N1C14175.3°155.9°
C1C2H2H2A119.3°123.9°
C1C2C3H3128.9°153.9°
C1C2C3H3A113.1°82.9°
N1C1C2C33.8°37.0°
C1N1C4C38.8°1.1°
C1N1C4C14172.2°180.0°
C1N1C14O320.5°4.5°
C1N1C14C5179.6°175.5°
N1C1C2H2116.3°81.1°
N1C1C2H2A123.0°155.0°
C1N1C4H4111.2°120.4°
C1N1C4H4A130.0°118.4°
C2C3C4H3120.0°118.4°
C2C3C4H3A122.0°118.4°
C2C3C4N110.2°22.2°
C3C2C1H1113.7°81.9°
C3C2H2H2A119.3°123.9°
C2C3H3H3A122.2°123.2°
C2C3C4H4109.8°97.2°
C2C3C4H4A131.5°141.6°
C3C4N1H4120.0°119.4°
C3C4N1H4A121.2°119.4°
C3C4N1C14179.0°179.0°
C4C3C2H2111.1°82.6°
C4C3C2H2A128.2°153.6°
C4C3H3H3A122.2°123.2°
C3C4H4H4A121.2°121.1°
C4N1C14O32171.9°175.5°
C4N1C14C59.1°4.5°
C4N1C1H1127.8°94.7°
N1C4C3H3130.2°140.6°
N1C4C3H3A111.8°96.2°
N1C4H4H4A121.3°121.1°
N1C14O32C5178.8°180.0°
N1C14C5N21155.6°180.0°
C14N1C1H160.2°85.2°
C14N1C4H461.0°59.6°
C14N1C4H4A57.8°61.6°
N1C14C5H584.4°59.9°
N1C14C5H5A41.5°60.0°
O32C14C5N2123.1°0.0°
O32C14C5H596.9°120.1°
O32C14C5H5A137.3°120.0°
C14C5N21H5120.0°120.0°
C14C5N21H5A114.1°120.0°
C14C5N21C4988.5°180.0°
C14C5H5H5A115.1°120.0°
C14C5N21HN2131.5°56.0°
C5N21C49HN21120.0°123.9°
C5N21C49C4871.0°155.0°
C5N21C49C4269.9°85.0°
N21C5H5H5A115.1°120.0°
C5N21C49H49178.4°35.0°
N21C49C48C42133.7°120.0°
N21C49C48H49120.4°120.0°
N21C49C42H49121.7°120.0°
N21C49C48C47141.5°127.1°
N21C49C42C4384.0°164.0°
C49N21C5H5151.5°60.0°
C49N21C5H5A25.6°60.0°
N21C49C48H4821.5°113.0°
N21C49C48H48A104.6°7.0°
N21C49C42H42156.1°76.0°
N21C49C42H42A24.8°44.0°
C48C49C42H49103.1°120.0°
C49C48C47H48120.0°120.0°
C49C48C47H48A113.9°120.0°
C49C48C47C4682.0°76.0°
C48C49C42C4351.3°44.0°
C48C49N21HN2149.0°81.1°
C49C48H48H48A115.0°120.0°
C49C48C47H47158.0°164.0°
C49C48C47H47A23.6°44.1°
C48C49C42H4268.7°164.0°
C48C49C42H42A160.0°76.0°
C42C49C48C477.9°112.9°
C49C42C43C4462.3°76.0°
C49C42C43H42120.0°119.9°
C49C42C43H42A108.7°120.0°
C42C49N21HN21170.2°38.9°
C42C49C48H48112.2°7.1°
C42C49C48H48A121.8°127.0°
C49C42C43H4357.7°44.1°
C49C42C43H43A173.9°164.1°
C49C42H42H42A111.7°119.9°
C48C47C46H47120.0°120.0°
C48C47C46H47A105.6°120.0°
C48C47C46C4546.6°76.0°
C47C48C49H4998.1°7.1°
C47C48H48H48A115.0°120.0°
C48C47H47H47A110.0°120.0°
C48C47C46H4673.3°44.0°
C48C47C46H46A162.1°164.1°
C47C46C45H46120.0°120.0°
C47C46C45H46A115.4°120.0°
C47C46C45C4450.0°112.9°
C46C47C48H4838.0°44.0°
C46C47C48H48A164.1°164.0°
C46C47H47H47A110.0°120.1°
C47C46H46H46A116.1°120.0°
C47C46C45H4570.0°127.1°
C47C46C45H45A168.0°7.1°
C46C45C44H45120.0°120.0°
C46C45C44H45A117.9°120.0°
C46C45C44C4391.5°44.0°
C45C46C47H47166.7°164.0°
C45C46C47H47A58.9°44.0°
C45C46H46H46A116.1°120.0°
C46C45H45H45A118.1°120.0°
C46C45C44H44148.5°76.0°
C46C45C44H44A21.9°164.0°
C45C44C43H44120.0°120.0°
C45C44C43H44A113.4°120.0°
C45C44C43C4271.3°76.0°
C44C45C46H46170.0°7.0°
C44C45C46H46A65.4°127.1°
C44C45H45H45A118.1°119.9°
C45C44H44H44A114.6°120.0°
C45C44C43H4348.7°44.0°
C45C44C43H43A177.0°164.0°
C44C43C42H43120.0°120.0°
C44C43C42H43A111.6°120.0°
C43C44C45H4528.5°164.0°
C43C44C45H45A150.6°76.0°
C43C44H44H44A114.6°120.1°
C44C43H43H43A113.5°120.0°
C44C43C42H4257.7°44.0°
C44C43C42H42A171.0°164.0°
C43C42C49H49154.4°76.0°
C42C43C44H44168.6°164.1°
C42C43C44H44A42.1°44.0°
C42C43H43H43A113.5°120.0°
C43C42H42H42A111.7°120.1°
HN23N23C24H2447.6°120.1°
HN23N23C24H24A169.9°119.9°
H26C26C27H270.0°0.0°
H29C29C30H300.1°0.0°
H1C1C2H2126.3°160.0°
H1C1C2H2A5.6°36.2°
H2C2C3H38.9°35.8°
H2C2C3H3A126.9°159.1°
H2AC2C3H3111.8°88.0°
H2AC2C3H3A6.2°35.2°
H3C3C4H410.2°21.2°
H3C3C4H4A108.5°100.0°
H3AC3C4H4128.2°144.4°
H3AC3C4H4A9.5°23.2°
H5C5N21HN2188.5°176.0°
H5AC5N21HN21145.6°64.0°
HN21N21C49H4958.4°158.9°
H49C49C48H48141.9°127.1°
H49C49C48H48A15.8°113.0°
H49C49C42H4234.4°44.0°
H49C49C42H42A96.9°164.0°
H48C48C47H4782.0°76.0°
H48C48C47H47A143.6°164.1°
H48AC48C47H4744.1°44.0°
H48AC48C47H47A90.3°75.9°
H47C47C46H4646.7°76.0°
H47C47C46H46A77.9°44.1°
H47AC47C46H46178.9°164.0°
H47AC47C46H46A56.5°75.9°
H46C46C45H4550.0°113.0°
H46C46C45H45A72.0°127.0°
H46AC46C45H45174.6°7.1°
H46AC46C45H45A52.6°112.9°
H45C45C44H4491.5°44.1°
H45C45C44H44A141.9°75.9°
H45AC45C44H4430.6°164.0°
H45AC45C44H44A96.1°44.0°
H44C44C43H4371.4°75.9°
H44C44C43H43A57.0°44.1°
H44AC44C43H43162.0°164.0°
H44AC44C43H43A69.6°76.0°
H43C43C42H42177.7°164.0°
H43C43C42H42A51.0°75.9°
H43AC43C42H4253.9°76.0°
H43AC43C42H42A77.4°44.0°

223532

PDB entries from 2024-08-07

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