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3HV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O12C11doub1.22Å1.26Å
C11O13sing1.35Å1.25Å
C11C10sing1.46Å1.48Å
C10C09doub1.38Å1.40ÅAromatic
C10O14sing1.35Å1.30ÅAromatic
C09C08sing1.40Å1.44ÅAromatic
O14C07sing1.34Å1.30ÅAromatic
CL4C40sing1.74Å1.73Å
C08C07doub1.37Å1.41ÅAromatic
C07C06sing1.48Å1.51Å
C06C05doub1.40Å1.39ÅAromatic
C06C15sing1.40Å1.39ÅAromatic
C40C42doub1.38Å1.38ÅAromatic
C40C38sing1.39Å1.40ÅAromatic
C42C35sing1.39Å1.38ÅAromatic
C05C04sing1.37Å1.41ÅAromatic
CL3C38sing1.74Å1.72Å
C15C16doub1.37Å1.39ÅAromatic
C38C37doub1.38Å1.39ÅAromatic
O31C30doub1.21Å1.26Å
C04C17sing1.51Å1.42Å
C04C03doub1.40Å1.39ÅAromatic
C16C03sing1.39Å1.42ÅAromatic
C35N34sing1.40Å1.44Å
C35C36doub1.39Å1.38ÅAromatic
N33N34sing1.28Å1.32ÅAromatic
N33C29doub1.32Å1.33ÅAromatic
C17C18sing1.53Å1.40Å
N34C27sing1.37Å1.34ÅAromatic
C30C29sing1.48Å1.50Å
C30O32sing1.35Å1.26Å
C03C02sing1.48Å1.42Å
C37C36sing1.38Å1.39ÅAromatic
C29C28sing1.41Å1.43ÅAromatic
C23C22doub1.38Å1.38ÅAromatic
C23C26sing1.40Å1.40ÅAromatic
C27C28doub1.37Å1.43ÅAromatic
C27C26sing1.48Å1.52Å
C18N19sing1.46Å1.35Å
C02N19sing1.35Å1.36Å
C02S01doub1.71Å1.66Å
C22C21sing1.38Å1.37ÅAromatic
C26C25doub1.40Å1.39ÅAromatic
N19C20sing1.47Å1.47Å
C21C20sing1.51Å1.51Å
C21C24doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.40ÅAromatic
C15H151sing1.08Å1.08Å
C17H171sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C22H221sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C05H051sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
O13H1sing0.97Å0.95Å
C16H161sing1.08Å1.08Å
C18H181sing1.09Å1.10Å
C23H231sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
O32H2sing0.97Å0.95Å
C36H361sing1.08Å1.08Å
C37H371sing1.08Å1.08Å
C42H421sing1.08Å1.08Å
C17H3sing1.09Å1.10Å
C18H4sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O12C11O13123.2°120.0°
O12C11C10121.5°120.0°
O13C11C10115.3°120.1°
C11O13H1109.5°114.0°
C11C10C09128.7°126.0°
C11C10O14120.0°125.9°
C09C10O14111.3°108.1°
C10C09C08103.2°106.8°
C10C09H091128.4°126.6°
C10O14C07110.4°109.3°
C09C08C07105.5°107.1°
C09C08H081127.3°126.5°
C08C09H091128.4°126.6°
O14C07C08109.6°108.7°
O14C07C06121.9°125.6°
CL4C40C42116.3°120.0°
CL4C40C38124.4°120.0°
C08C07C06128.4°125.6°
C07C08H081127.2°126.4°
C07C06C05119.2°119.9°
C07C06C15120.0°120.0°
C05C06C15120.8°120.1°
C06C05C04119.8°119.7°
C06C05H051120.1°120.2°
C06C15C16119.7°120.2°
C06C15H151120.2°119.9°
C42C40C38119.3°120.1°
C40C42C35120.5°119.9°
C40C42H421119.7°120.1°
C40C38CL3122.8°120.0°
C40C38C37120.1°120.1°
C42C35N34118.9°120.1°
C42C35C36120.4°119.9°
C35C42H421119.7°120.0°
C05C04C17120.9°120.9°
C05C04C03120.0°119.9°
C04C05H051120.1°120.1°
CL3C38C37117.1°119.9°
C15C16C03120.2°119.9°
C16C15H151120.2°119.9°
C15C16H161119.9°120.0°
C38C37C36120.1°120.1°
C38C37H371120.0°120.0°
O31C30C29118.8°120.0°
O31C30O32119.9°120.0°
C17C04C03119.1°119.2°
C04C17C18117.9°109.9°
C04C17H171107.3°109.4°
C04C17H3107.3°109.3°
C04C03C16119.5°120.2°
C04C03C02119.8°118.7°
C16C03C02120.7°121.1°
C03C16H161119.9°120.0°
N34C35C36120.7°120.0°
C35N34N33123.6°125.1°
C35N34C27124.1°125.0°
C35C36C37119.6°119.9°
C35C36H361120.2°120.0°
N34N33C29109.7°110.5°
N33N34C27112.3°109.9°
N33C29C30125.1°126.3°
N33C29C28107.2°107.3°
C17C18N19123.1°111.0°
C18C17H171107.3°109.5°
C17C18H181105.9°109.1°
C18C17H3107.3°109.4°
C17C18H4106.0°109.2°
N34C27C28105.1°106.8°
N34C27C26128.5°126.6°
C29C30O32121.3°120.0°
C30C29C28127.7°126.3°
C30O32H2109.5°117.0°
C03C02N19120.6°119.1°
C03C02S01116.7°120.4°
C37C36H361120.2°120.0°
C36C37H371120.0°119.9°
C29C28C27105.6°105.5°
C29C28H281127.2°127.2°
C22C23C26122.3°119.8°
C23C22C21119.0°120.2°
C23C22H221120.5°120.0°
C22C23H231118.8°120.0°
C23C26C27122.2°120.1°
C23C26C25118.2°119.7°
C26C23H231118.9°120.2°
C28C27C26126.4°126.6°
C27C28H281127.1°127.3°
C27C26C25119.6°120.2°
C18N19C02119.5°121.2°
C18N19C20116.4°119.4°
N19C18H181106.0°109.1°
N19C18H4106.0°109.2°
N19C02S01122.7°120.5°
C02N19C20124.0°119.3°
C22C21C20118.6°119.9°
C22C21C24120.3°120.3°
C21C22H221120.5°119.9°
C26C25C24119.7°119.9°
C26C25H251120.1°120.0°
N19C20C21110.9°109.4°
N19C20H202109.1°109.5°
N19C20H201109.1°109.5°
C20C21C24121.1°119.8°
C21C20H202109.1°109.5°
C21C20H201109.1°109.5°
C21C24C25120.6°120.1°
C21C24H241119.7°119.9°
C25C24H241119.7°120.0°
C24C25H251120.2°120.1°
H171C17H3109.5°109.3°
H202C20H201109.5°109.5°
H181C18H4109.4°109.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O12C11O13C10179.8°180.0°
O12C11C10C097.6°0.0°
O12C11C10O14174.1°179.7°
O12C11O13H10.0°0.0°
O13C11C10C09172.5°180.0°
O13C11C10O145.7°0.4°
C11C10C09O14178.4°179.7°
C11C10C09C08179.7°179.7°
C11C10O14C07179.9°179.7°
C11C10C09H0910.4°0.3°
C10C11O13H1179.8°179.9°
C10C09C08H091180.0°180.0°
C09C10O14C071.4°0.0°
C10C09C08C070.7°0.0°
C10C09C08H081179.3°180.0°
O14C10C09C081.3°0.0°
C10O14C07C080.8°0.0°
C10O14C07C06178.8°180.0°
O14C10C09H091178.7°180.0°
C09C08C07O140.0°0.0°
C09C08C07H081180.0°180.0°
C09C08C07C06179.6°180.0°
O14C07C08C06179.6°180.0°
O14C07C06C0512.1°0.1°
O14C07C06C15167.9°180.0°
O14C07C08H081180.0°180.0°
CL4C40C42C38178.9°179.4°
CL4C40C42C35179.9°180.0°
CL4C40C38CL30.2°0.3°
CL4C40C38C37179.8°179.6°
CL4C40C42H4210.2°0.6°
C08C07C06C05167.5°180.0°
C08C07C06C1512.4°0.0°
C07C08C09H091179.3°179.9°
C07C06C05C15179.9°179.9°
C07C06C05C04180.0°179.5°
C07C06C15C16179.6°180.0°
C07C06C15H1510.4°0.4°
C07C06C05H0510.1°0.4°
C06C07C08H0810.4°0.0°
C06C05C04H051180.0°179.9°
C05C06C15C160.5°0.1°
C06C05C04C17179.7°179.8°
C06C05C04C030.1°0.7°
C05C06C15H151179.5°179.7°
C15C06C05C040.1°0.4°
C06C15C16H151180.0°179.6°
C06C15C16C030.6°0.3°
C15C06C05H051179.8°179.7°
C06C15C16H161179.4°179.7°
C40C42C35H421180.0°179.4°
C42C40C38CL3179.0°179.7°
C42C40C38C371.4°0.2°
C40C42C35N34178.3°179.7°
C40C42C35C360.3°0.6°
C38C40C42C351.2°0.6°
C40C38CL3C37179.6°179.9°
C40C38C37C360.6°0.1°
C40C38C37H371179.4°180.0°
C38C40C42H421178.7°180.0°
C42C35N34C36178.6°179.7°
C42C35N34N3394.2°45.0°
C42C35N34C2785.1°135.0°
C42C35C36C370.5°0.3°
C42C35C36H361179.5°179.7°
C05C04C17C03179.8°179.5°
C05C04C03C160.0°0.5°
C05C04C17C18179.9°145.5°
C05C04C03C02179.9°179.4°
C05C04C17H17158.7°94.3°
C05C04C17H358.9°25.4°
CL3C38C37C36179.8°180.0°
CL3C38C37H3710.2°0.1°
C15C16C03C040.4°0.0°
C15C16C03H161180.0°180.0°
C15C16C03C02179.7°180.0°
C38C37C36C350.4°0.1°
C38C37C36H371180.0°179.9°
C38C37C36H361179.6°180.0°
O31C30C29N332.6°180.0°
O31C30C29O32179.9°180.0°
O31C30C29C28177.9°0.0°
O31C30O32H20.0°0.1°
C17C04C03C16179.9°180.0°
C04C17C18H171121.2°120.1°
C04C17C18H3121.2°120.1°
C17C04C03C020.2°0.1°
C04C17C18N190.3°51.1°
C04C17H171H3116.1°119.7°
C17C04C05H0510.2°0.1°
C04C17C18H181121.6°171.5°
C04C17C18H4122.2°69.3°
C04C03C16C02179.9°180.0°
C03C04C17C180.0°34.0°
C04C03C02N190.0°17.7°
C04C03C02S01180.0°162.4°
C03C04C17H171121.2°86.2°
C03C04C05H051179.9°179.4°
C04C03C16H161179.6°180.0°
C03C04C17H3121.3°154.1°
C16C03C02N19179.9°162.3°
C16C03C02S010.1°17.7°
C03C16C15H151179.4°179.9°
C35N34N33C27179.4°180.0°
C35N34N33C29179.8°180.0°
N34C35C36C37179.1°180.0°
C35N34C27C28179.9°179.8°
C35N34C27C260.2°0.1°
N34C35C36H3610.9°0.0°
N34C35C42H4211.7°0.3°
C36C35N34N3387.2°134.7°
C36C35N34C2793.5°45.3°
C35C36C37H361180.0°180.0°
C35C36C37H371179.6°180.0°
C36C35C42H421179.7°180.0°
N34N33C29C30179.7°179.9°
N34N33C29C280.7°0.1°
N33N34C27C280.5°0.2°
N33N34C27C26179.3°179.9°
C29N33N34C270.8°0.0°
N33C29C30C28179.5°180.0°
N33C29C30O32177.3°0.0°
N33C29C28C270.4°0.3°
N33C29C28H281179.6°179.9°
C17C18N19H181121.9°120.4°
C17C18N19H4121.9°120.4°
C17C18N19C020.5°37.8°
C17C18N19C20179.2°142.3°
C18C17H171H3116.2°119.9°
C17C18H181H4113.8°119.2°
N34C27C28C290.0°0.3°
N34C27C26C2320.5°153.4°
N34C27C28C26179.8°179.9°
N34C27C26C25160.5°27.0°
N34C27C28H281179.9°180.0°
C30C29C28C27180.0°179.8°
C30C29C28H2810.0°0.1°
C29C30O32H2180.0°180.0°
O32C30C29C282.2°180.0°
C03C02N19C180.3°2.7°
C03C02N19S01180.0°180.0°
C03C02N19C20178.9°177.3°
C02C03C16H1610.3°0.0°
C29C28C27H281180.0°179.7°
C29C28C27C26179.7°179.8°
C22C23C26H231180.0°179.9°
C22C23C26C27179.8°180.0°
C23C22C21H221180.0°180.0°
C22C23C26C250.7°0.3°
C23C22C21C20179.9°180.0°
C23C22C21C240.4°0.2°
C23C26C27C28159.2°26.7°
C23C26C27C25179.0°179.6°
C26C23C22C210.6°0.0°
C23C26C25C240.6°0.4°
C26C23C22H221179.3°180.0°
C23C26C25H251179.4°180.0°
C28C27C26C2519.8°153.0°
C27C26C25C24179.6°180.0°
C26C27C28H2810.3°0.1°
C27C26C23H2310.2°0.1°
C27C26C25H2510.3°0.3°
C18N19C02C20178.6°179.9°
C18N19C02S01179.7°177.2°
C18N19C20C2152.0°90.1°
N19C18C17H171121.5°69.0°
C18N19C20H202172.2°150.0°
C18N19C20H20168.2°29.9°
N19C18H181H4113.9°119.2°
N19C18C17H3120.9°171.2°
C02N19C20C21129.3°90.0°
C02N19C20H2029.1°29.9°
C02N19C20H201110.5°150.0°
C02N19C18H181121.4°158.1°
C02N19C18H4122.4°82.7°
S01C02N19C201.0°2.7°
C22C21C20N1971.2°89.8°
C22C21C20C24179.5°179.8°
C22C21C24C250.2°0.2°
C22C21C20H20248.9°30.2°
C22C21C20H201168.5°150.2°
C22C21C24H241179.8°179.8°
C21C22C23H231179.4°180.0°
C26C25C24C210.3°0.1°
C26C25C24H251180.0°179.6°
C26C25C24H241179.7°179.9°
C25C26C23H231179.3°179.7°
N19C20C21H202120.2°120.0°
N19C20C21H201120.2°120.0°
N19C20C21C24109.2°90.0°
N19C20H202H201119.3°120.1°
C20N19C18H18157.3°22.0°
C20N19C18H458.9°97.3°
C20C21C24C25179.7°180.0°
C21C20H202H201119.4°120.0°
C20C21C22H2210.1°0.0°
C20C21C24H2410.3°0.0°
C21C24C25H241180.0°179.9°
C24C21C20H202130.6°150.0°
C24C21C20H20111.0°30.0°
C24C21C22H221179.6°179.8°
C21C24C25H251179.7°179.8°
H151C15C16H1610.6°0.1°
H171C17C18H1810.3°51.4°
H171C17C18H4116.6°170.6°
H221C22C23H2310.7°0.0°
H241C24C25H2510.4°0.3°
H081C08C09H0910.7°0.0°
H181C18C17H3117.2°68.4°
H361C36C37H3710.4°0.1°
H3C17C18H41.0°50.8°

222415

PDB entries from 2024-07-10

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