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55X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O49C50doub1.21Å1.23Å
C69C68sing1.53Å1.54Å
C55C64sing1.53Å1.53Å
C55C54sing1.53Å1.53Å
C61C62sing1.55Å1.54Å
C61C75sing1.53Å1.52Å
C62C76sing1.55Å1.54Å
C64C76sing1.53Å1.54Å
C64C63sing1.53Å1.53Å
C53C54sing1.53Å1.53Å
C53C52sing1.53Å1.53Å
C50C52sing1.51Å1.53Å
C50S48sing1.71Å1.75Å
C76C68sing1.53Å1.53Å
C68C75sing1.55Å1.50Å
C68C77sing1.52Å1.52Å
C08S48sing1.81Å1.83Å
C75C73sing1.52Å1.51Å
C73C72sing1.53Å1.50Å
C73C74sing1.54Å1.52Å
C72C59sing1.53Å1.52Å
C52C51sing1.53Å1.53Å
C59C65sing1.52Å1.40Å
C67C66sing1.53Å1.53Å
C77C60sing1.54Å1.53Å
C60C74sing1.53Å1.54Å
C74C66sing1.53Å1.54Å
C65C66sing1.50Å1.43Å
C65C58doub1.33Å1.40Å
C66C56sing1.52Å1.54Å
C58C70sing1.47Å1.39Å
C56C57sing1.53Å1.54Å
C70C57sing1.52Å1.41Å
C70O71doub1.21Å1.23Å
C08H1sing1.09Å1.10Å
C08H2sing1.09Å1.10Å
C52H4sing1.09Å1.10Å
C53H5sing1.09Å1.10Å
C53H6sing1.09Å1.10Å
C54H7sing1.09Å1.10Å
C54H8sing1.09Å1.10Å
C55H9sing1.09Å1.10Å
C55H10sing1.09Å1.10Å
C56H11sing1.09Å1.10Å
C56H12sing1.09Å1.10Å
C57H13sing1.09Å1.10Å
C57H14sing1.09Å1.10Å
C60H15sing1.09Å1.10Å
C60H16sing1.09Å1.10Å
C61H17sing1.09Å1.10Å
C61H18sing1.09Å1.10Å
C62H19sing1.09Å1.10Å
C62H20sing1.09Å1.10Å
C63H21sing1.09Å1.10Å
C63H22sing1.09Å1.10Å
C63H23sing1.09Å1.10Å
C64H24sing1.09Å1.10Å
C67H26sing1.09Å1.10Å
C67H27sing1.09Å1.10Å
C67H28sing1.09Å1.10Å
C69H29sing1.09Å1.10Å
C69H30sing1.09Å1.10Å
C69H31sing1.09Å1.10Å
C72H32sing1.09Å1.10Å
C72H33sing1.09Å1.10Å
C73H34sing1.09Å1.10Å
C74H35sing1.09Å1.10Å
C75H36sing1.09Å1.10Å
C76H37sing1.09Å1.10Å
C77H38sing1.09Å1.10Å
C77H39sing1.09Å1.10Å
C58H40sing1.08Å1.08Å
C59H42sing1.09Å1.10Å
C59H43sing1.09Å1.10Å
C51H44sing1.09Å1.10Å
C51H45sing1.09Å1.10Å
C51H46sing1.09Å1.10Å
C08C1sing1.53Å146.35Å
C1N1sing1.46Å0.00Å
N1C2sing1.35Å0.00Å
C2O1doub1.21Å0.00Å
C2C3sing1.51Å0.00Å
C3C4sing1.53Å0.00Å
C4N2sing1.47Å0.00Å
N2C5sing1.35Å0.00Å
C5O3doub1.21Å0.00Å
C5C7sing1.51Å0.00Å
C7O2sing1.43Å0.00Å
C7C6sing1.53Å0.00Å
C6C8sing1.53Å0.00Å
C6C9sing1.53Å0.00Å
C1H3sing1.09Å0.00Å
C1H25sing1.09Å0.00Å
N1H41sing0.97Å0.00Å
C3H47sing1.09Å0.00Å
C3H48sing1.09Å0.00Å
C4H49sing1.09Å0.00Å
C4H50sing1.09Å0.00Å
N2H51sing0.97Å0.00Å
C7H52sing1.09Å0.00Å
O2H53sing0.97Å0.00Å
C8H55sing1.09Å0.00Å
C8H56sing1.09Å0.00Å
C9H58sing1.09Å0.00Å
C9H59sing1.09Å0.00Å
C9H60sing1.09Å0.00Å
C8O4sing1.43Å0.00Å
O4P1sing1.61Å0.00Å
P1O7sing1.61Å0.00Å
C6C13sing1.53Å0.00Å
P1O5sing1.61Å0.00Å
P1O6doub1.48Å0.00Å
C13H57sing1.09Å0.00Å
C13H61sing1.09Å0.00Å
C13H62sing1.09Å0.00Å
O5H63sing0.97Å0.00Å
O7C10sing1.43Å0.00Å
C10C11sing1.53Å0.00Å
C11C12sing1.54Å0.00Å
C12C14sing1.55Å0.00Å
C14C15sing1.55Å0.00Å
C15O8sing1.44Å0.00Å
O8C11sing1.44Å0.00Å
C10H54sing1.09Å0.00Å
C10H64sing1.09Å0.00Å
C11H65sing1.09Å0.00Å
C12H66sing1.09Å0.00Å
C14H68sing1.09Å0.00Å
C15H70sing1.09Å0.00Å
C12O10sing1.43Å0.00Å
C14O9sing1.43Å0.00Å
C15N3sing1.47Å0.00Å
O10P2sing1.61Å0.00Å
P2O13sing1.61Å0.00Å
P2O11doub1.48Å0.00Å
P2O12sing1.61Å0.00Å
O9H67sing0.97Å0.00Å
O13H73sing0.97Å0.00Å
O12H74sing0.97Å0.00Å
N3C16sing1.36Å0.00ÅAromatic
C16N4doub1.30Å0.00ÅAromatic
N4C19sing1.35Å0.00ÅAromatic
C19C20doub1.41Å0.00ÅAromatic
C20N3sing1.37Å0.00ÅAromatic
C16H69sing1.08Å0.00Å
C20N5sing1.33Å0.00ÅAromatic
N5C18doub1.32Å0.00ÅAromatic
C18N6sing1.32Å0.00ÅAromatic
N6C22doub1.33Å0.00ÅAromatic
C22C19sing1.41Å0.00ÅAromatic
C18H75sing1.08Å0.00Å
C22N7sing1.38Å0.00Å
N7H71sing0.97Å0.00Å
N7H72sing0.97Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O49C50C52120.8°120.0°
O49C50S48123.8°120.0°
C69C68C76111.6°109.9°
C69C68C75111.9°109.8°
C69C68C77110.4°109.8°
C68C69H29109.5°109.5°
C68C69H30109.5°109.5°
C68C69H31109.5°109.5°
C64C55C54111.6°109.5°
C55C64C76109.4°109.4°
C55C64C63108.9°109.5°
C64C55H9108.9°109.5°
C64C55H10108.9°109.5°
C55C64H24109.1°109.5°
C55C54C53107.5°109.5°
C55C54H7110.0°109.5°
C55C54H8109.9°109.5°
C54C55H9108.9°109.5°
C54C55H10108.9°109.5°
C62C61C75101.9°102.9°
C61C62C76105.8°106.4°
C62C61H17111.4°110.7°
C62C61H18111.3°110.8°
C61C62H19110.4°110.1°
C61C62H20110.4°110.1°
C61C75C68101.4°101.7°
C61C75C73114.4°115.7°
C75C61H17111.3°110.7°
C75C61H18111.3°110.7°
C61C75H36109.7°110.4°
C62C76C64109.7°110.3°
C62C76C68102.3°105.3°
C76C62H19110.4°110.0°
C76C62H20110.4°110.1°
C62C76H37110.0°110.3°
C76C64C63111.2°109.5°
C64C76C68114.4°110.3°
C76C64H24109.0°109.5°
C64C76H37110.0°110.3°
C64C63H21109.5°109.5°
C64C63H22109.5°109.5°
C64C63H23109.5°109.5°
C63C64H24109.1°109.5°
C54C53C52111.5°109.5°
C54C53H5109.0°109.4°
C54C53H6109.0°109.5°
C53C54H7110.0°109.4°
C53C54H8110.0°109.4°
C53C52C50108.4°109.5°
C53C52C51109.5°109.5°
C53C52H4109.9°109.5°
C52C53H5109.0°109.5°
C52C53H6108.9°109.5°
C52C50S48115.4°120.0°
C50C52C51109.1°109.5°
C50C52H4109.9°109.5°
C50S48C08100.0°100.0°
C76C68C7598.7°103.3°
C76C68C77115.6°116.5°
C68C76H37110.2°110.3°
C75C68C77108.2°107.1°
C68C75C73111.3°107.1°
C68C75H36109.9°110.5°
C68C77C60109.0°107.1°
C68C77H38109.6°109.9°
C68C77H39109.6°109.9°
S48C08H1108.9°109.5°
S48C08H2108.9°109.5°
S48C08C1112.0°109.5°
C75C73C72109.2°109.7°
C75C73C74107.0°107.6°
C75C73H34111.0°110.4°
C73C75H36109.7°111.0°
C72C73C74107.5°109.0°
C73C72C59109.9°109.2°
C73C72H32109.4°109.5°
C73C72H33109.4°109.5°
C72C73H34111.1°110.0°
C73C74C60108.6°111.8°
C73C74C66113.1°109.2°
C74C73H34110.9°110.0°
C73C74H35108.0°108.6°
C72C59C65112.7°108.7°
C59C72H32109.4°109.5°
C59C72H33109.4°109.5°
C72C59H42108.7°109.6°
C72C59H43108.6°109.6°
C51C52H4109.9°109.5°
C52C51H44109.5°109.5°
C52C51H45109.5°109.5°
C52C51H46109.5°109.5°
C59C65C66120.1°118.7°
C59C65C58115.9°117.8°
C65C59H42108.6°109.5°
C65C59H43108.7°109.6°
C67C66C74110.0°107.3°
C67C66C65108.1°108.0°
C67C66C56108.5°108.0°
C66C67H26109.5°109.4°
C66C67H27109.5°109.5°
C66C67H28109.5°109.4°
C77C60C74109.5°111.7°
C77C60H15109.5°109.0°
C77C60H16109.5°109.0°
C60C77H38109.6°109.9°
C60C77H39109.6°109.9°
C60C74C66111.5°109.1°
C74C60H15109.5°109.0°
C74C60H16109.5°109.1°
C60C74H35107.8°109.0°
C74C66C65110.6°109.9°
C74C66C56106.2°109.3°
C66C74H35107.7°109.0°
C66C65C58122.0°123.5°
C65C66C56113.4°114.1°
C65C58C70119.3°120.1°
C65C58H40120.3°120.0°
C66C56C57111.7°111.6°
C66C56H11108.9°109.0°
C66C56H12108.9°109.0°
C58C70C57121.2°116.5°
C58C70O71118.1°121.8°
C70C58H40120.3°119.9°
C56C57C70112.3°107.4°
C57C56H11108.9°109.0°
C57C56H12108.9°109.1°
C56C57H13108.7°109.8°
C56C57H14108.7°109.8°
C57C70O71120.7°121.7°
C70C57H13108.8°109.9°
C70C57H14108.8°110.0°
H1C08H2109.5°109.4°
H1C08C1108.8°109.4°
H2C08C1108.8°109.5°
H5C53H6109.5°109.5°
H7C54H8109.5°109.5°
H9C55H10109.5°109.4°
H11C56H12109.5°109.0°
H13C57H14109.5°109.9°
H15C60H16109.4°109.0°
H17C61H18109.5°110.8°
H19C62H20109.5°110.1°
H21C63H22109.4°109.5°
H21C63H23109.4°109.4°
H22C63H23109.5°109.4°
H26C67H27109.5°109.5°
H26C67H28109.4°109.5°
H27C67H28109.5°109.5°
H29C69H30109.5°109.5°
H29C69H31109.5°109.5°
H30C69H31109.4°109.4°
H32C72H33109.5°109.5°
H38C77H39109.5°110.0°
H42C59H43109.5°109.8°
H44C51H45109.5°109.4°
H44C51H46109.4°109.4°
H45C51H46109.5°109.5°
C08C1N190.0°109.5°
C08C1H390.0°109.4°
C08C1H2590.0°109.5°
C1N1C290.0°120.0°
N1C1H390.0°109.5°
N1C1H2590.0°109.5°
C1N1H4190.0°120.0°
N1C2O190.0°120.0°
N1C2C390.0°120.0°
C2N1H4190.0°120.0°
O1C2C390.0°120.0°
C2C3C490.0°109.5°
C2C3H4790.0°109.5°
C2C3H4890.0°109.5°
C3C4N290.0°109.4°
C4C3H4790.0°109.5°
C4C3H4890.0°109.4°
C3C4H4990.0°109.5°
C3C4H5090.0°109.4°
C4N2C590.0°119.9°
N2C4H4990.0°109.5°
N2C4H5090.0°109.5°
C4N2H5190.0°120.0°
N2C5O390.0°120.1°
N2C5C790.0°120.0°
C5N2H5190.0°120.1°
O3C5C790.0°120.0°
C5C7O290.0°109.5°
C5C7C690.0°109.4°
C5C7H5290.0°109.5°
O2C7C690.0°109.5°
O2C7H5290.0°109.5°
C7O2H5390.0°114.0°
C7C6C890.0°109.5°
C7C6C990.0°109.5°
C6C7H5290.0°109.5°
C7C6C1390.0°109.5°
C8C6C990.0°109.5°
C6C8H5590.0°109.4°
C6C8H5690.0°109.4°
C6C8O490.0°109.5°
C8C6C1390.0°109.5°
C6C9H5890.0°109.5°
C6C9H5990.0°109.5°
C6C9H6090.0°109.5°
C9C6C1390.0°109.4°
H3C1H2590.0°109.4°
H47C3H4890.0°109.5°
H49C4H5090.0°109.5°
H55C8H5690.0°109.4°
H55C8O490.0°109.5°
H56C8O490.0°109.5°
H58C9H5990.0°109.5°
H58C9H6090.0°109.5°
H59C9H6090.0°109.4°
C8O4P190.0°123.0°
O4P1O790.0°109.5°
O4P1O590.0°109.4°
O4P1O690.0°109.5°
O7P1O590.0°109.4°
O7P1O690.0°109.5°
P1O7C1090.0°123.0°
C6C13H5790.0°109.5°
C6C13H6190.0°109.5°
C6C13H6290.0°109.5°
O5P1O690.0°109.4°
P1O5H6390.0°114.0°
H57C13H6190.0°109.4°
H57C13H6290.0°109.4°
H61C13H6290.0°109.5°
O7C10C1190.0°109.5°
O7C10H5490.0°109.4°
O7C10H6490.0°109.5°
C10C11C1290.0°109.9°
C10C11O890.0°109.9°
C11C10H5490.0°109.5°
C11C10H6490.0°109.5°
C10C11H6590.0°109.9°
C11C12C1490.0°104.2°
C12C11O890.0°107.3°
C12C11H6590.0°109.8°
C11C12H6690.0°110.5°
C11C12O1090.0°110.5°
C12C14C1590.0°102.0°
C14C12H6690.0°110.5°
C12C14H6890.0°110.9°
C14C12O1090.0°110.5°
C12C14O990.0°110.9°
C14C15O890.0°103.5°
C15C14H6890.0°110.9°
C14C15H7090.0°110.6°
C15C14O990.0°110.9°
C14C15N390.0°110.6°
C15O8C1190.0°107.0°
O8C15H7090.0°110.7°
O8C15N390.0°110.6°
O8C11H6590.0°110.0°
H54C10H6490.0°109.5°
H66C12O1090.0°110.5°
H68C14O990.0°110.9°
H70C15N390.0°110.6°
C12O10P290.0°123.0°
C14O9H6790.0°114.0°
C15N3C1690.0°126.3°
C15N3C2090.0°126.3°
O10P2O1390.0°109.5°
O10P2O1190.0°109.4°
O10P2O1290.0°109.5°
O13P2O1190.0°109.5°
O13P2O1290.0°109.5°
P2O13H7390.0°114.0°
O11P2O1290.0°109.5°
P2O12H7490.0°114.0°
N3C16N490.0°110.0°
C16N3C2090.0°107.4°
N3C16H6990.0°125.0°
C16N4C1990.0°109.5°
N4C16H6990.0°125.0°
N4C19C2090.0°107.1°
N4C19C2290.0°134.7°
C19C20N390.0°106.0°
C19C20N590.0°119.1°
C20C19C2290.0°118.2°
N3C20N590.0°134.9°
C20N5C1890.0°120.6°
N5C18N690.0°122.5°
N5C18H7590.0°118.8°
C18N6C2290.0°121.2°
N6C18H7590.0°118.7°
N6C22C1990.0°118.5°
N6C22N790.0°120.8°
C19C22N790.0°120.8°
C22N7H7190.0°120.0°
C22N7H7290.0°120.0°
H71N7H7290.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O49C50C52C5335.8°0.0°
O49C50C52S48179.8°179.9°
O49C50S48C0844.0°0.1°
O49C50C52C5183.4°120.1°
O49C50C52H4155.9°120.0°
C69C68C75C6162.9°72.9°
C69C68C76C6272.9°87.9°
C69C68C76C6445.6°31.0°
C69C68C76C75117.8°117.1°
C69C68C76C77127.3°125.8°
C69C68C75C77121.8°119.2°
C69C68C75C7359.3°48.8°
C69C68C77C6063.3°54.1°
C68C69H29H30120.0°120.0°
C68C69H29H31120.0°120.0°
C68C69H30H31120.0°120.0°
C69C68C75H36178.9°169.8°
C69C68C76H37170.2°153.1°
C69C68C77H3856.7°173.6°
C69C68C77H39176.8°65.3°
C64C55C54H9120.3°120.0°
C64C55C54H10120.3°120.0°
C55C64C76C6246.3°61.5°
C55C64C76C63120.4°120.0°
C55C64C76H24119.3°120.0°
C55C64C63H24119.0°120.0°
C64C55C54C53167.9°180.0°
C55C64C76C68160.5°177.4°
C64C55C54H748.2°60.0°
C64C55C54H872.4°60.0°
C64C55H9H10119.0°120.0°
C55C64C63H21180.0°180.0°
C55C64C63H2260.0°60.0°
C55C64C63H2360.0°60.0°
C55C64C76H3774.8°60.6°
C54C55C64C7675.5°175.0°
C54C55C64C6346.2°65.0°
C55C54C53H7119.7°120.0°
C55C54C53H8119.7°120.1°
C55C54C53C52180.0°180.0°
C55C54C53H559.7°60.0°
C55C54C53H659.7°60.0°
C55C54H7H8120.9°120.1°
C54C55H9H10119.0°120.0°
C54C55C64H24165.2°55.0°
C62C61C75H17118.8°118.4°
C62C61C75H18118.8°118.4°
C61C62C76H19119.4°119.2°
C61C62C76H20119.4°119.3°
C61C62C76C64141.0°122.4°
C61C62C76C6819.3°3.5°
C62C61C75C6842.3°41.5°
C62C61C75C73162.3°157.1°
C62C61H17H18123.5°123.3°
C61C62H19H20121.7°121.5°
C62C61C75H3673.8°75.8°
C61C62C76H3797.8°115.5°
C75C61C62C7613.7°23.9°
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C11C12C14O1090.0°118.7°
C11C12C14C1590.0°20.9°
C12C11O8C1590.0°26.5°
C12C11O8H6590.0°119.4°
C12C11C10H5490.0°55.0°
C12C11C10H6490.0°65.0°
C11C12H66O1090.0°122.6°
C11C12C14H6890.0°139.1°
C11C12C14O990.0°97.3°
C11C12O10P290.0°120.0°
C12C14C15H6890.0°118.2°
C12C14C15O990.0°118.1°
C12C14C15O890.0°37.0°
C14C12C11O890.0°2.0°
C14C12C11H6590.0°117.5°
C14C12H66O1090.0°122.6°
C12C14H68O990.0°123.7°
C12C14C15H7090.0°81.6°
C12C14C15N390.0°155.5°
C14C12O10P290.0°125.2°
C12C14O9H6790.0°179.9°
C14C15O8H7090.0°118.5°
C14C15O8N390.0°118.5°
C14C15O8C1190.0°40.1°
C15C14C12H6690.0°97.9°
C15C14H68O990.0°123.7°
C14C15H70N390.0°122.9°
C15C14C12O1090.0°139.5°
C15C14O9H6790.0°67.3°
C14C15N3C1690.0°95.0°
C14C15N3C2090.0°85.2°
C15O8C11H6590.0°92.9°
O8C15C14H6890.0°155.2°
O8C15H70N390.0°123.0°
O8C15C14O990.0°81.1°
O8C15N3C1690.0°19.1°
O8C15N3C2090.0°160.7°
O8C11C10H5490.0°172.8°
O8C11C10H6490.0°52.8°
O8C11C12H6690.0°120.7°
C11O8C15H7090.0°78.4°
O8C11C12O1090.0°116.6°
C11O8C15N390.0°158.6°
H54C10C11H6590.0°66.0°
H64C10C11H6590.0°174.0°
H65C11C12H6690.0°1.2°
H65C11C12O1090.0°123.8°
H66C12C14H6890.0°20.3°
H66C12C14O990.0°144.0°
H66C12O10P290.0°2.6°
H68C14C15H7090.0°36.7°
H68C14C12O1090.0°102.2°
H68C14C15N390.0°86.3°
H68C14O9H6790.0°56.4°
H70C15C14O990.0°160.3°
H70C15N3C1690.0°142.1°
H70C15N3C2090.0°37.7°
O10C12C14O990.0°21.4°
C12O10P2O1390.0°65.0°
C12O10P2O1190.0°55.0°
C12O10P2O1290.0°175.0°
O9C14C15N390.0°37.4°
C15N3C16C2090.0°179.8°
C15N3C16N490.0°180.0°
C15N3C20C1990.0°179.9°
C15N3C16H6990.0°0.0°
C15N3C20N590.0°0.2°
O10P2O13O1190.0°120.0°
O10P2O13O1290.0°120.0°
O10P2O11O1290.0°120.0°
O10P2O13H7390.0°60.0°
O10P2O12H7490.0°180.0°
O13P2O11O1290.0°120.0°
O13P2O12H7490.0°60.0°
O11P2O13H7390.0°179.9°
O11P2O12H7490.0°60.0°
O12P2O13H7390.0°60.0°
N3C16N4H6990.0°179.9°
N3C16N4C1990.0°0.1°
C16N3C20C1990.0°0.3°
C16N3C20N590.0°180.0°
C16N4C19C2090.0°0.3°
N4C16N3C2090.0°0.2°
C16N4C19C2290.0°180.0°
N4C19C20C2290.0°179.8°
N4C19C20N390.0°0.4°
C19N4C16H6990.0°180.0°
N4C19C20N590.0°179.9°
N4C19C22N690.0°179.9°
N4C19C22N790.0°0.3°
C19C20N3N590.0°179.6°
C19C20N5C1890.0°0.1°
C20C19C22N690.0°0.4°
C20C19C22N790.0°180.0°
C20N3C16H6990.0°179.8°
N3C20N5C1890.0°179.5°
N3C20C19C2290.0°179.9°
C20N5C18N690.0°0.1°
N5C20C19C2290.0°0.2°
C20N5C18H7590.0°180.0°
N5C18N6H7590.0°179.9°
N5C18N6C2290.0°0.1°
C18N6C22C1990.0°0.3°
C18N6C22N790.0°180.0°
N6C22C19N790.0°179.6°
C22N6C18H7590.0°179.8°
N6C22N7H7190.0°0.0°
N6C22N7H7290.0°180.0°
C19C22N7H7190.0°179.6°
C19C22N7H7290.0°0.4°
C22N7H71H7290.0°180.0°

222624

PDB entries from 2024-07-17

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