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PRD_000892

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.21Å1.23Å
C1O2sing1.35Å1.40Å
O2C2sing1.45Å1.43Å
C2C3sing1.53Å1.52Å
C2C4sing1.53Å1.49Å
C2C5sing1.53Å1.52Å
C3H1sing1.09Å1.10Å
C3H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
N1C6sing1.46Å1.45Å
N1H10sing0.97Å1.00Å
C6C7sing1.51Å1.54Å
C6C8sing1.53Å1.54Å
C6H11sing1.09Å1.10Å
C7O3doub1.21Å1.22Å
C8C9sing1.53Å1.52Å
C8C10sing1.53Å1.54Å
C8H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C9H15sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
C10H17sing1.09Å1.10Å
C10H18sing1.09Å1.10Å
C11N3sing1.47Å1.45Å
N2C14sing1.35Å1.42Å
O4C14doub1.21Å1.21Å
O5C15doub1.21Å1.23Å
C12C13sing1.53Å1.49Å
C12C14sing1.51Å1.48Å
C13C16sing1.53Å1.52Å
C15C16sing1.51Å1.54Å
C16N3sing1.46Å1.46Å
C11H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C11H21sing1.09Å1.10Å
N2H22sing0.97Å1.00Å
N2H23sing0.97Å1.00Å
C12H24sing1.09Å1.10Å
C12H25sing1.09Å1.10Å
C13H26sing1.09Å1.10Å
C13H27sing1.09Å1.10Å
C16H28sing1.09Å1.10Å
N4C17sing1.46Å1.48Å
N4H29sing0.97Å1.00Å
C17C18sing1.53Å1.53Å
C17C25sing1.53Å1.53Å
C17H30sing1.09Å1.10Å
C18C19sing1.51Å1.56Å
C18H31sing1.09Å1.10Å
C18H32sing1.09Å1.10Å
C19C20doub1.38Å1.50ÅAromatic
C19C21sing1.38Å1.51ÅAromatic
C20C22sing1.38Å1.51ÅAromatic
C20H33sing1.08Å1.08Å
C21C23doub1.38Å1.51ÅAromatic
C21H34sing1.08Å1.08Å
C22C24doub1.38Å1.50ÅAromatic
C22H35sing1.08Å1.08Å
C23C24sing1.38Å1.50ÅAromatic
C23H36sing1.08Å1.08Å
C24H37sing1.08Å1.08Å
C25O6sing1.43Å1.38Å
C25C26sing1.53Å1.55Å
C25H38sing1.09Å1.10Å
O6H39sing0.97Å0.95Å
C26C27sing1.51Å1.54Å
C26H40sing1.09Å1.10Å
C26H41sing1.09Å1.10Å
C27O7doub1.21Å1.22Å
N5C28sing1.46Å1.48Å
N5H42sing0.97Å1.00Å
C28C29sing1.51Å1.54Å
C28C30sing1.53Å1.52Å
C28H43sing1.09Å1.10Å
C29O8doub1.21Å1.22Å
C30C31sing1.53Å1.54Å
C30H44sing1.09Å1.10Å
C30H45sing1.09Å1.10Å
C31C32sing1.53Å1.51Å
C31C33sing1.53Å1.54Å
C31H46sing1.09Å1.10Å
C32H47sing1.09Å1.10Å
C32H48sing1.09Å1.10Å
C32H49sing1.09Å1.10Å
C33H50sing1.09Å1.10Å
C33H51sing1.09Å1.10Å
C33H52sing1.09Å1.10Å
N6C34sing1.46Å1.47Å
N6H53sing0.97Å1.00Å
C34C35sing1.51Å1.52Å
C34C36sing1.53Å1.49Å
C34H54sing1.09Å1.10Å
C35O9doub1.21Å1.23Å
C36H55sing1.09Å1.10Å
C36H56sing1.09Å1.10Å
C36H57sing1.09Å1.10Å
N7C37sing1.46Å1.48Å
N7C46sing1.47Å1.45Å
C37C38sing1.51Å1.56Å
C37C39sing1.53Å1.52Å
C37H58sing1.09Å1.10Å
C38O10doub1.21Å1.24Å
C39C40sing1.51Å1.54Å
C39H59sing1.09Å1.10Å
C39H60sing1.09Å1.10Å
C40C41doub1.38Å1.52ÅAromatic
C40C42sing1.38Å1.51ÅAromatic
C41C43sing1.38Å1.51ÅAromatic
C41H61sing1.08Å1.08Å
C42C44doub1.38Å1.51ÅAromatic
C42H62sing1.08Å1.08Å
C43C45doub1.38Å1.50ÅAromatic
C43H63sing1.08Å1.08Å
C44C45sing1.38Å1.51ÅAromatic
C44H64sing1.08Å1.08Å
C45H65sing1.08Å1.08Å
C46H66sing1.09Å1.10Å
C46H67sing1.09Å1.10Å
C46H68sing1.09Å1.10Å
C47O12sing1.45Å1.41Å
O11C51doub1.21Å1.24Å
C48C49sing1.55Å1.49Å
C48C50sing1.55Å1.51Å
C49C52sing1.54Å1.49Å
C50N8sing1.47Å1.45Å
O12C51sing1.34Å1.39Å
C51C52sing1.51Å1.51Å
C52N8sing1.47Å1.46Å
C47H69sing1.09Å1.10Å
C47H70sing1.09Å1.10Å
C47H71sing1.09Å1.10Å
C48H72sing1.09Å1.10Å
C48H73sing1.09Å1.10Å
C49H74sing1.09Å1.10Å
C49H75sing1.09Å1.10Å
C50H76sing1.09Å1.10Å
C50H77sing1.09Å1.10Å
C52H78sing1.09Å1.10Å
C1N1sing1.35Å1.48Å
C7N3sing1.35Å1.47Å
C15N4sing1.35Å1.48Å
C27N5sing1.35Å1.47Å
C29N6sing1.35Å1.46Å
C35N7sing1.35Å1.48Å
C38N8sing1.35Å1.50Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O2118.6°120.0°
O1C1N1116.6°120.0°
C1O2C2120.8°117.0°
O2C1N1120.4°120.0°
O2C2C3109.5°109.5°
O2C2C4111.2°109.5°
O2C2C5109.8°109.5°
C3C2C4108.5°109.5°
C3C2C5110.2°109.5°
C2C3H1109.5°109.5°
C2C3H2109.5°109.4°
C2C3H3109.5°109.5°
C4C2C5107.6°109.4°
C2C4H4109.5°109.5°
C2C4H5109.5°109.5°
C2C4H6109.5°109.4°
C2C5H7109.5°109.5°
C2C5H8109.5°109.5°
C2C5H9109.4°109.5°
H1C3H2109.5°109.5°
H1C3H3109.5°109.5°
H2C3H3109.4°109.4°
H4C4H5109.5°109.5°
H4C4H6109.5°109.5°
H5C4H6109.5°109.5°
H7C5H8109.5°109.5°
H7C5H9109.5°109.5°
H8C5H9109.5°109.5°
C6N1H10122.2°120.0°
N1C6C7111.2°109.4°
N1C6C8113.4°109.5°
N1C6H11109.4°109.5°
C6N1C1115.6°119.9°
H10N1C1122.2°120.0°
C7C6C8106.2°109.4°
C7C6H11108.2°109.5°
C6C7O3118.6°120.1°
C6C7N3120.4°120.0°
C8C6H11108.3°109.5°
C6C8C9110.4°109.5°
C6C8C10109.4°109.4°
C6C8H12109.2°109.5°
O3C7N3120.9°119.9°
C9C8C10109.1°109.5°
C9C8H12109.5°109.5°
C8C9H13109.5°109.5°
C8C9H14109.4°109.5°
C8C9H15109.4°109.5°
C10C8H12109.2°109.4°
C8C10H16109.5°109.5°
C8C10H17109.5°109.5°
C8C10H18109.5°109.4°
H13C9H14109.5°109.4°
H13C9H15109.5°109.4°
H14C9H15109.5°109.5°
H16C10H17109.5°109.5°
H16C10H18109.5°109.5°
H17C10H18109.5°109.5°
C11N3C16116.8°120.0°
N3C11H19109.5°109.5°
N3C11H20109.5°109.5°
N3C11H21109.4°109.4°
C11N3C7122.8°120.0°
N2C14O4120.9°120.0°
N2C14C12120.1°120.0°
C14N2H22120.0°120.0°
C14N2H23120.0°120.0°
O4C14C12118.9°120.0°
O5C15C16122.4°120.0°
O5C15N4121.8°120.0°
C13C12C14105.0°109.5°
C12C13C16109.1°109.5°
C13C12H24110.5°109.5°
C13C12H25110.6°109.4°
C12C13H26109.6°109.5°
C12C13H27109.5°109.5°
C14C12H24110.6°109.5°
C14C12H25110.6°109.4°
C13C16C15110.4°109.5°
C13C16N3110.4°109.5°
C16C13H26109.6°109.5°
C16C13H27109.5°109.5°
C13C16H28108.4°109.5°
C15C16N3110.2°109.4°
C15C16H28108.2°109.5°
C16C15N4115.9°120.0°
N3C16H28109.2°109.5°
C16N3C7120.4°120.0°
H19C11H20109.5°109.5°
H19C11H21109.5°109.5°
H20C11H21109.5°109.4°
H22N2H23120.0°120.0°
H24C12H25109.5°109.5°
H26C13H27109.5°109.4°
C17N4H29119.3°120.1°
N4C17C18110.8°109.5°
N4C17C25106.6°109.5°
N4C17H30109.6°109.5°
C17N4C15121.4°120.0°
H29N4C15119.3°120.0°
C18C17C25111.9°109.5°
C18C17H30109.0°109.4°
C17C18C19109.3°109.5°
C17C18H31109.5°109.5°
C17C18H32109.5°109.5°
C25C17H30108.9°109.4°
C17C25O6117.7°109.4°
C17C25C26117.9°109.5°
C17C25H3897.8°109.5°
C19C18H31109.5°109.4°
C19C18H32109.5°109.5°
C18C19C20121.1°120.0°
C18C19C21119.8°120.0°
H31C18H32109.5°109.4°
C20C19C21119.1°120.0°
C19C20C22121.1°120.0°
C19C20H33119.5°120.0°
C19C21C23119.9°120.0°
C19C21H34120.1°120.0°
C22C20H33119.5°120.0°
C20C22C24119.8°120.0°
C20C22H35120.1°120.0°
C23C21H34120.1°120.0°
C21C23C24120.6°120.0°
C21C23H36119.7°120.0°
C24C22H35120.1°120.0°
C22C24C23119.6°120.0°
C22C24H37120.2°120.0°
C24C23H36119.7°120.0°
C23C24H37120.2°120.0°
O6C25C26118.5°109.5°
O6C25H3898.7°109.4°
C25O6H39109.5°114.0°
C26C25H3897.7°109.5°
C25C26C27107.9°109.5°
C25C26H40109.8°109.5°
C25C26H41109.9°109.4°
C27C26H40109.9°109.5°
C27C26H41109.9°109.5°
C26C27O7121.6°120.0°
C26C27N5118.7°120.0°
H40C26H41109.5°109.5°
O7C27N5119.7°120.0°
C28N5H42119.6°120.0°
N5C28C29110.7°109.5°
N5C28C30108.8°109.5°
N5C28H43108.7°109.5°
C28N5C27120.7°120.0°
H42N5C27119.6°120.0°
C29C28C30112.6°109.5°
C29C28H43107.9°109.5°
C28C29O8119.4°120.0°
C28C29N6120.3°120.0°
C30C28H43108.2°109.5°
C28C30C31111.2°109.5°
C28C30H44109.0°109.5°
C28C30H45109.0°109.5°
O8C29N6120.3°120.0°
C31C30H44109.0°109.4°
C31C30H45109.0°109.5°
C30C31C32108.7°109.5°
C30C31C33106.7°109.5°
C30C31H46110.8°109.5°
H44C30H45109.5°109.5°
C32C31C33108.5°109.5°
C32C31H46111.2°109.5°
C31C32H47109.5°109.5°
C31C32H48109.5°109.5°
C31C32H49109.5°109.5°
C33C31H46110.8°109.5°
C31C33H50109.5°109.5°
C31C33H51109.5°109.5°
C31C33H52109.5°109.5°
H47C32H48109.4°109.4°
H47C32H49109.5°109.5°
H48C32H49109.5°109.5°
H50C33H51109.5°109.5°
H50C33H52109.5°109.4°
H51C33H52109.4°109.5°
C34N6H53119.7°120.0°
N6C34C35104.5°109.5°
N6C34C36113.1°109.5°
N6C34H54110.7°109.5°
C34N6C29120.5°120.0°
H53N6C29119.8°120.0°
C35C34C36107.9°109.5°
C35C34H54110.0°109.5°
C34C35O9118.5°120.0°
C34C35N7123.4°120.0°
C36C34H54110.4°109.5°
C34C36H55109.5°109.5°
C34C36H56109.5°109.4°
C34C36H57109.4°109.4°
O9C35N7118.2°120.0°
H55C36H56109.5°109.5°
H55C36H57109.5°109.5°
H56C36H57109.4°109.5°
C37N7C46121.4°120.0°
N7C37C38111.7°109.5°
N7C37C39110.7°109.5°
N7C37H58105.4°109.5°
C37N7C35116.9°120.0°
N7C46H66109.5°109.5°
N7C46H67109.5°109.5°
N7C46H68109.4°109.5°
C46N7C35121.7°120.0°
C38C37C39118.1°109.5°
C38C37H58104.6°109.4°
C37C38O10122.0°120.0°
C37C38N8117.2°120.0°
C39C37H58105.0°109.5°
C37C39C40106.7°109.5°
C37C39H59110.1°109.5°
C37C39H60110.1°109.5°
O10C38N8120.8°120.0°
C40C39H59110.2°109.5°
C40C39H60110.2°109.4°
C39C40C41120.7°120.0°
C39C40C42121.0°120.0°
H59C39H60109.5°109.5°
C41C40C42118.4°120.0°
C40C41C43121.1°120.0°
C40C41H61119.5°120.0°
C40C42C44120.9°120.0°
C40C42H62119.6°120.0°
C43C41H61119.5°120.0°
C41C43C45119.8°120.0°
C41C43H63120.1°120.0°
C44C42H62119.5°120.0°
C42C44C45120.1°120.0°
C42C44H64120.0°120.0°
C45C43H63120.1°120.0°
C43C45C44119.9°120.0°
C43C45H65120.1°120.0°
C45C44H64120.0°120.0°
C44C45H65120.1°120.0°
H66C46H67109.5°109.5°
H66C46H68109.5°109.5°
H67C46H68109.5°109.5°
C47O12C51119.0°117.0°
O12C47H69109.5°109.5°
O12C47H70109.5°109.5°
O12C47H71109.5°109.5°
O11C51O12117.1°120.0°
O11C51C52116.3°120.0°
C49C48C50104.1°101.6°
C48C49C52106.7°102.9°
C49C48H72110.8°111.1°
C49C48H73110.8°111.0°
C48C49H74110.2°110.7°
C48C49H75110.2°110.7°
C48C50N8106.4°104.8°
C50C48H72110.8°111.0°
C50C48H73110.8°111.0°
C48C50H76110.2°110.4°
C48C50H77110.2°110.4°
C49C52C51104.4°109.9°
C49C52N8107.6°107.3°
C52C49H74110.1°110.7°
C52C49H75110.2°110.7°
C49C52H78108.5°109.9°
C50N8C52108.1°108.7°
N8C50H76110.2°110.3°
N8C50H77110.2°110.4°
C50N8C38121.2°125.6°
O12C51C52117.1°120.0°
C51C52N8118.8°109.8°
C51C52H78108.2°109.9°
N8C52H78108.9°110.0°
C52N8C38130.8°125.7°
H69C47H70109.5°109.5°
H69C47H71109.5°109.4°
H70C47H71109.5°109.4°
H72C48H73109.4°110.9°
H74C49H75109.5°110.8°
H76C50H77109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2N1156.0°179.7°
O1C1O2C215.2°0.0°
O1C1N1C6151.5°0.0°
O1C1N1H1028.5°180.0°
C1O2C2C368.7°60.0°
C1O2C2C4171.5°180.0°
C1O2C2C552.5°60.0°
O2C1N1C652.0°179.7°
O2C1N1H10128.0°0.3°
O2C2C3C4121.5°120.0°
O2C2C3C5120.9°120.0°
O2C2C4C5120.3°120.0°
O2C2C3H1180.0°60.0°
O2C2C3H260.0°180.0°
O2C2C3H360.0°60.1°
O2C2C4H4180.0°60.0°
O2C2C4H560.0°180.0°
O2C2C4H660.0°60.0°
O2C2C5H7180.0°60.0°
O2C2C5H860.0°180.0°
O2C2C5H960.0°60.0°
C2O2C1N1140.8°179.7°
C3C2C4C5119.2°120.0°
C2C3H1H2120.0°120.0°
C2C3H1H3120.0°120.0°
C2C3H2H3120.0°119.9°
C3C2C4H459.5°180.0°
C3C2C4H560.5°60.0°
C3C2C4H6179.5°60.0°
C3C2C5H759.2°60.0°
C3C2C5H8179.2°60.0°
C3C2C5H960.8°180.0°
C4C2C3H158.5°60.0°
C4C2C3H2178.5°60.0°
C4C2C3H361.5°179.9°
C2C4H4H5120.0°120.1°
C2C4H4H6120.0°119.9°
C2C4H5H6120.0°120.0°
C4C2C5H758.9°180.0°
C4C2C5H861.1°60.0°
C4C2C5H9178.9°60.0°
C5C2C3H159.0°180.0°
C5C2C3H261.0°60.0°
C5C2C3H3179.1°60.0°
C5C2C4H459.7°60.0°
C5C2C4H5179.7°60.0°
C5C2C4H660.3°180.0°
C2C5H7H8120.0°120.0°
C2C5H7H9120.0°120.0°
C2C5H8H9119.9°120.0°
H1C3H2H3120.0°120.0°
H4C4H5H6120.0°120.0°
H7C5H8H9120.0°120.0°
C6N1H10C1180.0°180.0°
N1C6C7C8123.7°120.0°
N1C6C7H11120.2°120.0°
N1C6C8H11121.6°120.1°
N1C6C7O322.8°37.0°
N1C6C8C975.8°175.6°
N1C6C8C1044.3°55.6°
N1C6C8H12163.7°64.3°
N1C6C7N3158.7°143.0°
H10N1C6C799.8°25.0°
H10N1C6C819.8°95.0°
H10N1C6H11140.7°145.0°
C7C6C8H11116.0°120.0°
C6C7O3N3178.5°180.0°
C7C6C8C9161.9°64.5°
C7C6C8C1078.1°175.5°
C7C6C8H1241.4°55.6°
C6C7N3C111.4°4.8°
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C51C52C49H741.4°23.3°
C51C52C49H75122.2°100.1°
C51C52N8C3854.5°61.7°
N8C52C49H74128.6°96.1°
N8C52C49H75110.6°140.6°
C52N8C50H7697.2°142.9°
C52N8C50H77141.8°94.7°
H69C47H70H71120.0°119.9°
H72C48C49H7499.3°159.1°
H72C48C49H7521.5°35.8°
H72C48C50H7626.9°37.7°
H72C48C50H7794.1°160.0°
H73C48C49H7422.4°35.2°
H73C48C49H75143.2°88.1°
H73C48C50H76148.5°86.1°
H73C48C50H7727.6°36.2°
H74C49C52H78113.8°144.3°
H75C49C52H787.0°21.0°
H76C50N8C3881.9°37.0°
H77C50N8C3839.1°85.4°
H78C52N8C3870.0°59.4°

238582

PDB entries from 2025-07-09

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