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LMK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C4doub1.21Å1.44Å
C6N4sing1.47Å1.47Å
C34C33sing1.53Å1.52Å
O10C28sing1.43Å1.43Å
C5N4sing1.47Å1.47Å
C32C33sing1.53Å1.52Å
C32C31sing1.53Å1.52Å
C7O1sing1.43Å1.43Å
C7C8sing1.53Å1.53Å
N4C3sing1.47Å1.50Å
N4C46sing1.47Å1.47Å
C30C31sing1.53Å1.52Å
C30C29sing1.53Å1.52Å
C4C3sing1.51Å1.55Å
C4O2sing1.34Å1.44Å
C3C2sing1.53Å1.53Å
O1C1sing1.43Å1.43Å
C28C29sing1.53Å1.52Å
C28O8sing1.43Å1.43Å
C9O8sing1.43Å1.43Å
C9C8sing1.53Å1.52Å
C8O7sing1.43Å1.43Å
O7C10sing1.43Å1.43Å
C1C2sing1.53Å1.52Å
O9C10sing1.43Å1.43Å
C10C11sing1.53Å1.52Å
C11C12sing1.53Å1.53Å
C12C13sing1.53Å1.52Å
C13C14sing1.53Å1.52Å
C14C15sing1.53Å1.52Å
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C2H17sing1.09Å1.10Å
C2H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
C9H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
O2H22sing0.97Å0.95Å
C13H24sing1.09Å1.10Å
C13H25sing1.09Å1.10Å
C14H26sing1.09Å1.10Å
C14H27sing1.09Å1.10Å
C15H28sing1.09Å1.10Å
C15H29sing1.09Å1.10Å
C28H31sing1.09Å1.10Å
C29H32sing1.09Å1.10Å
C29H33sing1.09Å1.10Å
C30H34sing1.09Å1.10Å
C30H35sing1.09Å1.10Å
C31H36sing1.09Å1.10Å
C31H37sing1.09Å1.10Å
C32H38sing1.09Å1.10Å
C32H39sing1.09Å1.10Å
C33H40sing1.09Å1.10Å
C33H41sing1.09Å1.10Å
C34H42sing1.09Å1.10Å
C34H43sing1.09Å1.10Å
C46H45sing1.09Å1.10Å
C46H46sing1.09Å1.10Å
C46H47sing1.09Å1.10Å
O10H48sing0.97Å0.95Å
O9H49sing0.97Å0.95Å
C34C16sing1.53Å458.97Å
C16C17sing1.53Å0.00Å
C17C18sing1.53Å0.00Å
C18C19sing1.53Å0.00Å
C19C20sing1.53Å0.00Å
C20C21sing1.53Å0.00Å
C21C22sing1.53Å0.00Å
C22C23sing1.53Å0.00Å
C23C24sing1.53Å0.00Å
C24C25sing1.53Å0.00Å
C25C26sing1.53Å0.00Å
C15C27sing1.53Å470.56Å
C27C35sing1.53Å0.00Å
C35C36sing1.53Å0.00Å
C36C37sing1.53Å0.00Å
C37C38sing1.53Å0.00Å
C38C39sing1.53Å0.00Å
C39C40sing1.53Å0.00Å
C40C41sing1.53Å0.00Å
C41C42sing1.53Å0.00Å
C42C43sing1.53Å0.00Å
C43C44sing1.53Å0.00Å
C44C45sing1.53Å0.00Å
C16H23sing1.09Å0.00Å
C16H30sing1.09Å0.00Å
C17H44sing1.09Å0.00Å
C17H50sing1.09Å0.00Å
C18H51sing1.09Å0.00Å
C18H52sing1.09Å0.00Å
C19H53sing1.09Å0.00Å
C19H54sing1.09Å0.00Å
C20H55sing1.09Å0.00Å
C20H56sing1.09Å0.00Å
C21H57sing1.09Å0.00Å
C21H58sing1.09Å0.00Å
C22H59sing1.09Å0.00Å
C22H60sing1.09Å0.00Å
C23H61sing1.09Å0.00Å
C23H62sing1.09Å0.00Å
C24H63sing1.09Å0.00Å
C24H64sing1.09Å0.00Å
C25H65sing1.09Å0.00Å
C25H66sing1.09Å0.00Å
C26H67sing1.09Å0.00Å
C26H68sing1.09Å0.00Å
C26H69sing1.09Å0.00Å
C27H70sing1.09Å0.00Å
C27H71sing1.09Å0.00Å
C35H72sing1.09Å0.00Å
C35H73sing1.09Å0.00Å
C36H74sing1.09Å0.00Å
C36H75sing1.09Å0.00Å
C37H76sing1.09Å0.00Å
C37H77sing1.09Å0.00Å
C38H78sing1.09Å0.00Å
C38H79sing1.09Å0.00Å
C39H80sing1.09Å0.00Å
C39H81sing1.09Å0.00Å
C40H82sing1.09Å0.00Å
C40H83sing1.09Å0.00Å
C41H84sing1.09Å0.00Å
C41H85sing1.09Å0.00Å
C42H86sing1.09Å0.00Å
C42H87sing1.09Å0.00Å
C43H88sing1.09Å0.00Å
C43H89sing1.09Å0.00Å
C44H90sing1.09Å0.00Å
C44H91sing1.09Å0.00Å
C45H92sing1.09Å0.00Å
C45H93sing1.09Å0.00Å
C45H94sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C4C3112.0°120.0°
O3C4O2109.6°120.0°
C6N4C5106.4°109.5°
C6N4C3113.9°109.4°
C6N4C46108.6°109.5°
N4C6H4109.5°109.5°
N4C6H5109.5°109.5°
N4C6H6109.5°109.4°
C34C33C32111.1°109.5°
C34C33H40109.1°109.5°
C34C33H41109.1°109.5°
C33C34H42108.6°109.5°
C33C34H43108.6°109.5°
C33C34C16113.2°109.5°
O10C28C29109.2°109.5°
O10C28O8109.4°109.5°
O10C28H31109.5°109.5°
C28O10H48109.5°114.0°
C5N4C3106.9°109.4°
C5N4C46105.9°109.5°
N4C5H1109.5°109.4°
N4C5H2109.4°109.5°
N4C5H3109.4°109.4°
C33C32C31111.3°109.5°
C33C32H38109.0°109.5°
C33C32H39109.0°109.4°
C32C33H40109.1°109.5°
C32C33H41109.1°109.4°
C32C31C30110.6°109.4°
C32C31H36109.2°109.5°
C32C31H37109.2°109.5°
C31C32H38109.0°109.5°
C31C32H39109.0°109.5°
O1C7C8110.6°109.5°
C7O1C1112.0°114.0°
O1C7H7109.2°109.5°
O1C7H8109.2°109.5°
C7C8C9106.9°109.4°
C7C8O7111.5°109.5°
C8C7H7109.2°109.4°
C8C7H8109.2°109.4°
C7C8H9108.6°109.5°
C3N4C46114.5°109.5°
N4C3C4120.3°109.5°
N4C3C2110.4°109.4°
N4C3H19105.7°109.5°
N4C46H45109.5°109.5°
N4C46H46109.5°109.5°
N4C46H47109.5°109.5°
C31C30C29111.6°109.4°
C31C30H34108.9°109.5°
C31C30H35108.9°109.5°
C30C31H36109.2°109.5°
C30C31H37109.2°109.4°
C30C29C28110.0°109.5°
C30C29H32109.4°109.5°
C30C29H33109.3°109.5°
C29C30H34109.0°109.4°
C29C30H35108.9°109.5°
C3C4O2116.0°120.0°
C4C3C2108.9°109.5°
C4C3H19105.1°109.5°
C4O2H22109.5°117.0°
C3C2C1110.8°109.4°
C3C2H17109.1°109.5°
C3C2H18109.1°109.4°
C2C3H19105.3°109.4°
O1C1C2109.3°109.4°
O1C1H11109.5°109.5°
O1C1H12109.5°109.5°
C29C28O8110.9°109.5°
C29C28H31108.3°109.5°
C28C29H32109.3°109.4°
C28C29H33109.4°109.4°
C28O8C9109.8°114.0°
O8C28H31109.6°109.4°
O8C9C8112.4°109.5°
O8C9H20108.7°109.4°
O8C9H21108.7°109.5°
C9C8O7111.4°109.5°
C9C8H9108.6°109.5°
C8C9H20108.7°109.4°
C8C9H21108.7°109.5°
C8O7C10112.4°114.0°
O7C8H9109.8°109.5°
O7C10O9111.3°109.5°
O7C10C11111.7°109.4°
O7C10H10109.1°109.5°
C2C1H11109.5°109.4°
C2C1H12109.5°109.5°
C1C2H17109.1°109.5°
C1C2H18109.1°109.5°
O9C10C11107.6°109.5°
O9C10H10109.1°109.5°
C10O9H49109.5°114.0°
C10C11C12108.4°109.5°
C11C10H10107.9°109.5°
C10C11H13109.7°109.4°
C10C11H14109.7°109.5°
C11C12C13112.9°109.5°
C12C11H13109.7°109.5°
C12C11H14109.8°109.5°
C11C12H15108.6°109.5°
C11C12H16108.6°109.5°
C12C13C14110.0°109.5°
C13C12H15108.6°109.5°
C13C12H16108.6°109.5°
C12C13H24109.3°109.4°
C12C13H25109.3°109.5°
C13C14C15111.3°109.5°
C14C13H24109.3°109.4°
C14C13H25109.4°109.5°
C13C14H26109.0°109.5°
C13C14H27109.1°109.5°
C15C14H26109.0°109.5°
C15C14H27109.0°109.5°
C14C15H28111.7°109.5°
C14C15H29111.6°109.4°
C14C15C27100.5°109.5°
H1C5H2109.5°109.5°
H1C5H3109.5°109.5°
H2C5H3109.5°109.4°
H4C6H5109.4°109.5°
H4C6H6109.5°109.4°
H5C6H6109.5°109.5°
H7C7H8109.5°109.5°
H11C1H12109.5°109.5°
H13C11H14109.5°109.5°
H15C12H16109.5°109.4°
H17C2H18109.5°109.5°
H20C9H21109.5°109.5°
H24C13H25109.4°109.5°
H26C14H27109.5°109.5°
H28C15H29109.5°109.5°
H28C15C27111.6°109.5°
H29C15C27111.7°109.4°
H32C29H33109.4°109.6°
H34C30H35109.5°109.5°
H36C31H37109.5°109.5°
H38C32H39109.5°109.4°
H40C33H41109.5°109.4°
H42C34H43109.5°109.5°
H42C34C16108.6°109.5°
H43C34C16108.5°109.5°
H45C46H46109.5°109.5°
H45C46H47109.4°109.4°
H46C46H47109.5°109.5°
C34C16C1790.0°109.5°
C34C16H2390.0°109.5°
C34C16H3090.0°109.5°
C16C17C1890.0°109.5°
C17C16H2390.0°109.5°
C17C16H3090.0°109.5°
C16C17H4490.0°109.5°
C16C17H5090.0°109.5°
C17C18C1990.0°109.5°
C18C17H4490.0°109.5°
C18C17H5090.0°109.4°
C17C18H5190.0°109.5°
C17C18H5290.0°109.5°
C18C19C2090.0°109.5°
C19C18H5190.0°109.5°
C19C18H5290.0°109.4°
C18C19H5390.0°109.5°
C18C19H5490.0°109.4°
C19C20C2190.0°109.5°
C20C19H5390.0°109.5°
C20C19H5490.0°109.5°
C19C20H5590.0°109.5°
C19C20H5690.0°109.4°
C20C21C2290.0°109.5°
C21C20H5590.0°109.5°
C21C20H5690.0°109.5°
C20C21H5790.0°109.5°
C20C21H5890.0°109.4°
C21C22C2390.0°109.5°
C22C21H5790.0°109.5°
C22C21H5890.0°109.5°
C21C22H5990.0°109.5°
C21C22H6090.0°109.4°
C22C23C2490.0°109.5°
C23C22H5990.0°109.5°
C23C22H6090.0°109.5°
C22C23H6190.0°109.5°
C22C23H6290.0°109.4°
C23C24C2590.0°109.5°
C24C23H6190.0°109.5°
C24C23H6290.0°109.5°
C23C24H6390.0°109.5°
C23C24H6490.0°109.5°
C24C25C2690.0°109.5°
C25C24H6390.0°109.5°
C25C24H6490.0°109.5°
C24C25H6590.0°109.5°
C24C25H6690.0°109.5°
C26C25H6590.0°109.5°
C26C25H6690.0°109.4°
C25C26H6790.0°109.5°
C25C26H6890.0°109.4°
C25C26H6990.0°109.5°
C15C27C3590.0°109.4°
C15C27H7090.0°109.5°
C15C27H7190.0°109.4°
C27C35C3690.0°109.5°
C35C27H7090.0°109.5°
C35C27H7190.0°109.4°
C27C35H7290.0°109.5°
C27C35H7390.0°109.4°
C35C36C3790.0°109.5°
C36C35H7290.0°109.5°
C36C35H7390.0°109.4°
C35C36H7490.0°109.5°
C35C36H7590.0°109.4°
C36C37C3890.0°109.5°
C37C36H7490.0°109.5°
C37C36H7590.0°109.5°
C36C37H7690.0°109.5°
C36C37H7790.0°109.5°
C37C38C3990.0°109.5°
C38C37H7690.0°109.4°
C38C37H7790.0°109.4°
C37C38H7890.0°109.5°
C37C38H7990.0°109.4°
C38C39C4090.0°109.5°
C39C38H7890.0°109.5°
C39C38H7990.0°109.4°
C38C39H8090.0°109.5°
C38C39H8190.0°109.4°
C39C40C4190.0°109.4°
C40C39H8090.0°109.5°
C40C39H8190.0°109.5°
C39C40H8290.0°109.4°
C39C40H8390.0°109.5°
C40C41C4290.0°109.5°
C41C40H8290.0°109.5°
C41C40H8390.0°109.5°
C40C41H8490.0°109.5°
C40C41H8590.0°109.5°
C41C42C4390.0°109.5°
C42C41H8490.0°109.5°
C42C41H8590.0°109.5°
C41C42H8690.0°109.5°
C41C42H8790.0°109.5°
C42C43C4490.0°109.5°
C43C42H8690.0°109.4°
C43C42H8790.0°109.5°
C42C43H8890.0°109.5°
C42C43H8990.0°109.5°
C43C44C4590.0°109.5°
C44C43H8890.0°109.4°
C44C43H8990.0°109.5°
C43C44H9090.0°109.5°
C43C44H9190.0°109.5°
C45C44H9090.0°109.4°
C45C44H9190.0°109.4°
C44C45H9290.0°109.4°
C44C45H9390.0°109.4°
C44C45H9490.0°109.5°
H23C16H3090.0°109.4°
H44C17H5090.0°109.5°
H51C18H5290.0°109.4°
H53C19H5490.0°109.4°
H55C20H5690.0°109.5°
H57C21H5890.0°109.4°
H59C22H6090.0°109.5°
H61C23H6290.0°109.5°
H63C24H6490.0°109.5°
H65C25H6690.0°109.4°
H67C26H6890.0°109.4°
H67C26H6990.0°109.5°
H68C26H6990.0°109.5°
H70C27H7190.0°109.5°
H72C35H7390.0°109.5°
H74C36H7590.0°109.4°
H76C37H7790.0°109.5°
H78C38H7990.0°109.5°
H80C39H8190.0°109.5°
H82C40H8390.0°109.5°
H84C41H8590.0°109.5°
H86C42H8790.0°109.4°
H88C43H8990.0°109.4°
H90C44H9190.0°109.5°
H92C45H9390.0°109.5°
H92C45H9490.0°109.5°
H93C45H9490.0°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C4C3N486.9°49.5°
O3C4C3O2126.9°179.7°
O3C4C3C2144.3°70.5°
O3C4C3H1931.9°169.5°
O3C4O2H220.0°0.2°
C6N4C5C3122.1°120.0°
C6N4C5C46115.5°120.0°
C6N4C3C46125.9°120.0°
C6N4C3C445.7°151.7°
C6N4C3C2173.9°88.3°
C6N4C5H1180.0°51.9°
C6N4C5H260.0°171.9°
C6N4C5H360.0°68.1°
N4C6H4H5120.0°120.1°
N4C6H4H6120.0°119.9°
N4C6H5H6120.0°120.0°
C6N4C3H1972.8°31.7°
C6N4C46H45180.0°75.2°
C6N4C46H4660.0°44.9°
C6N4C46H4760.0°164.9°
C34C33C32H40120.2°120.1°
C34C33C32H41120.2°120.0°
C34C33C32C3162.3°180.0°
C34C33C32H3858.0°59.9°
C34C33C32H39177.4°60.0°
C34C33H40H41119.3°120.0°
C33C34H42H43118.3°120.0°
C33C34H42C16123.4°120.0°
C33C34H43C16123.4°120.0°
C33C34C16C1790.0°180.0°
C33C34C16H2390.0°60.0°
C33C34C16H3090.0°60.0°
O10C28C29C3058.2°65.0°
O10C28C29O8120.6°120.0°
O10C28C29H31119.1°120.0°
O10C28O8H31120.0°120.0°
O10C28O8C951.1°69.9°
O10C28C29H32178.3°55.0°
O10C28C29H3361.9°175.0°
C5N4C3C46116.9°120.0°
C5N4C3C4162.9°31.7°
C5N4C3C268.9°151.7°
N4C5H1H2120.0°120.0°
N4C5H1H3120.0°120.0°
N4C5H2H3120.0°120.0°
C5N4C6H4180.0°83.8°
C5N4C6H560.0°156.1°
C5N4C6H660.0°36.1°
C5N4C3H1944.4°88.4°
C5N4C46H4566.0°44.9°
C5N4C46H46174.0°164.9°
C5N4C46H4754.0°75.1°
C33C32C31H38120.3°120.0°
C33C32C31H39120.3°120.0°
C33C32C31C30179.3°180.0°
C33C32C31H3660.6°60.0°
C33C32C31H3759.1°60.1°
C33C32H38H39119.2°119.9°
C32C33H40H41119.3°119.9°
C32C33C34H4216.1°60.0°
C32C33C34H43102.8°60.0°
C32C33C34C16136.7°180.0°
C32C31C30H36120.2°120.0°
C32C31C30H37120.2°119.9°
C32C31C30C29178.8°179.9°
C32C31C30H3460.8°60.0°
C32C31C30H3558.5°60.0°
C32C31H36H37119.5°120.1°
C31C32H38H39119.2°120.0°
C31C32C33H40177.5°59.9°
C31C32C33H4158.0°60.0°
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H56C20C21H5790.0°60.0°
H56C20C21H5890.0°180.0°
H57C21C22H5990.0°180.0°
H57C21C22H6090.0°60.0°
H58C21C22H5990.0°60.0°
H58C21C22H6090.0°180.0°
H59C22C23H6190.0°180.0°
H59C22C23H6290.0°60.0°
H60C22C23H6190.0°59.9°
H60C22C23H6290.0°180.0°
H61C23C24H6390.0°180.0°
H61C23C24H6490.0°60.0°
H62C23C24H6390.0°60.0°
H62C23C24H6490.0°179.9°
H63C24C25H6590.0°180.0°
H63C24C25H6690.0°60.0°
H64C24C25H6590.0°60.0°
H64C24C25H6690.0°180.0°
H65C25C26H6790.0°180.0°
H65C25C26H6890.0°60.1°
H65C25C26H6990.0°59.9°
H66C25C26H6790.0°60.1°
H66C25C26H6890.0°180.0°
H66C25C26H6990.0°60.0°
H67C26H68H6990.0°120.0°
H70C27C35H7290.0°180.0°
H70C27C35H7390.0°59.9°
H71C27C35H7290.0°60.0°
H71C27C35H7390.0°180.0°
H72C35C36H7490.0°180.0°
H72C35C36H7590.0°60.0°
H73C35C36H7490.0°60.0°
H73C35C36H7590.0°179.9°
H74C36C37H7690.0°180.0°
H74C36C37H7790.0°60.0°
H75C36C37H7690.0°60.0°
H75C36C37H7790.0°180.0°
H76C37C38H7890.0°180.0°
H76C37C38H7990.0°60.0°
H77C37C38H7890.0°60.0°
H77C37C38H7990.0°179.9°
H78C38C39H8090.0°180.0°
H78C38C39H8190.0°60.0°
H79C38C39H8090.0°60.0°
H79C38C39H8190.0°180.0°
H80C39C40H8290.0°180.0°
H80C39C40H8390.0°59.9°
H81C39C40H8290.0°59.9°
H81C39C40H8390.0°180.0°
H82C40C41H8490.0°179.9°
H82C40C41H8590.0°59.9°
H83C40C41H8490.0°60.0°
H83C40C41H8590.0°180.0°
H84C41C42H8690.0°180.0°
H84C41C42H8790.0°60.0°
H85C41C42H8690.0°60.0°
H85C41C42H8790.0°180.0°
H86C42C43H8890.0°180.0°
H86C42C43H8990.0°60.0°
H87C42C43H8890.0°60.0°
H87C42C43H8990.0°180.0°
H88C43C44H9090.0°180.0°
H88C43C44H9190.0°60.0°
H89C43C44H9090.0°60.0°
H89C43C44H9190.0°179.9°
H90C44C45H9290.0°180.0°
H90C44C45H9390.0°60.1°
H90C44C45H9490.0°60.0°
H91C44C45H9290.0°60.0°
H91C44C45H9390.0°179.9°
H91C44C45H9490.0°60.0°
H92C45H93H9490.0°120.1°

222415

PDB entries from 2024-07-10

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