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9ED

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C57C53sing1.53Å0.00Å
C57C63sing1.51Å0.00Å
C53C49sing1.53Å0.00Å
C50C49sing1.53Å0.00Å
C62C63doub1.31Å0.00Å
C62C51sing1.51Å0.00Å
C51C45sing1.53Å0.00Å
C54C48sing1.53Å0.00Å
C54C58sing1.53Å0.00Å
C48C47sing1.53Å0.00Å
C47C52sing1.53Å0.00Å
C45C44sing1.53Å0.00Å
C52C56sing1.53Å0.00Å
C44C42sing1.53Å0.00Å
C42C40sing1.53Å0.00Å
C56C61sing1.51Å0.00Å
C61C60doub1.31Å0.00Å
C40C39sing1.53Å0.00Å
C60C46sing1.51Å0.00Å
C39C37sing1.53Å0.00Å
C46C43sing1.53Å0.00Å
O22C35doub1.21Å0.00Å
C37C35sing1.51Å0.00Å
C35O20sing1.34Å0.00Å
C43C41sing1.53Å0.00Å
C41C38sing1.53Å0.00Å
O11P01doub1.48Å0.00Å
O20C31sing1.45Å0.00Å
C31C30sing1.53Å0.00Å
C33C32sing1.51Å0.00Å
C33C34sing1.53Å0.00Å
C36C38sing1.53Å0.00Å
C36C34sing1.53Å0.00Å
C30O19sing1.45Å0.00Å
C30C29sing1.53Å0.00Å
P01O10sing1.61Å0.00Å
P01O04sing1.61Å0.00Å
P01O16sing1.61Å0.00Å
C32O21doub1.21Å0.00Å
C32O19sing1.34Å0.00Å
O10C29sing1.43Å0.00Å
O04C25sing1.43Å0.00Å
O09C28sing1.43Å0.00Å
C28C25sing1.53Å0.00Å
C28C27sing1.53Å0.00Å
C25C26sing1.53Å0.00Å
O08C27sing1.43Å0.00Å
C27C24sing1.53Å0.00Å
C26O07sing1.43Å0.00Å
C26C23sing1.53Å0.00Å
C24C23sing1.53Å0.00Å
C24O06sing1.43Å0.00Å
C23O05sing1.43Å0.00Å
O06P03sing1.61Å0.00Å
O05P02sing1.61Å0.00Å
O14P03doub1.48Å0.00Å
O13P02doub1.48Å0.00Å
P03O18sing1.61Å0.00Å
P03O15sing1.61Å0.00Å
P02O17sing1.61Å0.00Å
P02O12sing1.61Å0.00Å
C24H1sing1.09Å0.00Å
C26H2sing1.09Å0.00Å
C28H3sing1.09Å0.00Å
O07H4sing0.97Å0.00Å
O08H5sing0.97Å0.00Å
O09H6sing0.97Å0.00Å
O12H7sing0.97Å0.00Å
O15H8sing0.97Å0.00Å
O16H9sing0.97Å0.00Å
O17H10sing0.97Å0.00Å
O18H11sing0.97Å0.00Å
C23H12sing1.09Å0.00Å
C25H13sing1.09Å0.00Å
C27H14sing1.09Å0.00Å
C29H15sing1.09Å0.00Å
C29H16sing1.09Å0.00Å
C30H17sing1.09Å0.00Å
C31H18sing1.09Å0.00Å
C31H19sing1.09Å0.00Å
C33H20sing1.09Å0.00Å
C33H21sing1.09Å0.00Å
C34H22sing1.09Å0.00Å
C34H23sing1.09Å0.00Å
C36H24sing1.09Å0.00Å
C36H25sing1.09Å0.00Å
C37H26sing1.09Å0.00Å
C37H27sing1.09Å0.00Å
C38H28sing1.09Å0.00Å
C38H29sing1.09Å0.00Å
C39H30sing1.09Å0.00Å
C39H31sing1.09Å0.00Å
C40H32sing1.09Å0.00Å
C40H33sing1.09Å0.00Å
C41H34sing1.09Å0.00Å
C41H35sing1.09Å0.00Å
C42H36sing1.09Å0.00Å
C42H37sing1.09Å0.00Å
C43H38sing1.09Å0.00Å
C43H39sing1.09Å0.00Å
C44H40sing1.09Å0.00Å
C44H41sing1.09Å0.00Å
C45H42sing1.09Å0.00Å
C45H43sing1.09Å0.00Å
C46H44sing1.09Å0.00Å
C46H45sing1.09Å0.00Å
C47H46sing1.09Å0.00Å
C47H47sing1.09Å0.00Å
C48H48sing1.09Å0.00Å
C48H49sing1.09Å0.00Å
C49H50sing1.09Å0.00Å
C49H51sing1.09Å0.00Å
C50H52sing1.09Å0.00Å
C50H53sing1.09Å0.00Å
C51H55sing1.09Å0.00Å
C51H56sing1.09Å0.00Å
C52H57sing1.09Å0.00Å
C52H58sing1.09Å0.00Å
C53H59sing1.09Å0.00Å
C53H60sing1.09Å0.00Å
C54H61sing1.09Å0.00Å
C54H62sing1.09Å0.00Å
C56H63sing1.09Å0.00Å
C56H64sing1.09Å0.00Å
C57H65sing1.09Å0.00Å
C57H66sing1.09Å0.00Å
C58H67sing1.09Å0.00Å
C58H69sing1.09Å0.00Å
C60H70sing1.08Å0.00Å
C61H71sing1.08Å0.00Å
C62H72sing1.08Å0.00Å
C63H73sing1.08Å0.00Å
C58C1sing1.53Å0.00Å
C1C2sing1.53Å0.00Å
C50C3sing1.53Å0.00Å
C3C4sing1.53Å0.00Å
C4C5sing1.53Å0.00Å
C5C6sing1.53Å0.00Å
C1H82sing1.09Å0.00Å
C1H81sing1.09Å0.00Å
C2H84sing1.09Å0.00Å
C2H83sing1.09Å0.00Å
C2H85sing1.09Å0.00Å
C6H74sing1.09Å0.00Å
C6H54sing1.09Å0.00Å
C6H68sing1.09Å0.00Å
C5H76sing1.09Å0.00Å
C5H75sing1.09Å0.00Å
C4H77sing1.09Å0.00Å
C4H78sing1.09Å0.00Å
C3H80sing1.09Å0.00Å
C3H79sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C53C57C6390.0°109.5°
C57C53C4990.0°109.5°
C57C53H5990.0°109.5°
C57C53H6090.0°109.5°
C53C57H6590.0°109.5°
C53C57H6690.0°109.5°
C57C63C6290.0°120.0°
C63C57H6590.0°109.4°
C63C57H6690.0°109.5°
C57C63H7390.0°120.0°
C53C49C5090.0°109.4°
C53C49H5090.0°109.5°
C53C49H5190.0°109.4°
C49C53H5990.0°109.5°
C49C53H6090.0°109.5°
C50C49H5090.0°109.5°
C50C49H5190.0°109.4°
C49C50H5290.0°109.5°
C49C50H5390.0°109.5°
C49C50C390.0°109.5°
C63C62C5190.0°120.0°
C63C62H7290.0°120.0°
C62C63H7390.0°120.0°
C62C51C4590.0°109.4°
C62C51H5590.0°109.5°
C62C51H5690.0°109.5°
C51C62H7290.0°120.0°
C51C45C4490.0°109.4°
C51C45H4290.0°109.5°
C51C45H4390.0°109.5°
C45C51H5590.0°109.5°
C45C51H5690.0°109.5°
C48C54C5890.0°109.4°
C54C48C4790.0°109.5°
C54C48H4890.0°109.5°
C54C48H4990.0°109.5°
C48C54H6190.0°109.5°
C48C54H6290.0°109.4°
C58C54H6190.0°109.5°
C58C54H6290.0°109.5°
C54C58H6790.0°109.5°
C54C58H6990.0°109.5°
C54C58C190.0°109.5°
C48C47C5290.0°109.5°
C48C47H4690.0°109.5°
C48C47H4790.0°109.5°
C47C48H4890.0°109.5°
C47C48H4990.0°109.4°
C47C52C5690.0°109.5°
C52C47H4690.0°109.5°
C52C47H4790.0°109.4°
C47C52H5790.0°109.5°
C47C52H5890.0°109.4°
C45C44C4290.0°109.4°
C45C44H4090.0°109.5°
C45C44H4190.0°109.5°
C44C45H4290.0°109.5°
C44C45H4390.0°109.5°
C52C56C6190.0°109.5°
C56C52H5790.0°109.5°
C56C52H5890.0°109.5°
C52C56H6390.0°109.5°
C52C56H6490.0°109.5°
C44C42C4090.0°109.4°
C44C42H3690.0°109.5°
C44C42H3790.0°109.5°
C42C44H4090.0°109.5°
C42C44H4190.0°109.5°
C42C40C3990.0°109.5°
C42C40H3290.0°109.5°
C42C40H3390.0°109.5°
C40C42H3690.0°109.5°
C40C42H3790.0°109.5°
C56C61C6090.0°120.0°
C61C56H6390.0°109.4°
C61C56H6490.0°109.5°
C56C61H7190.0°120.0°
C61C60C4690.0°120.0°
C61C60H7090.0°120.0°
C60C61H7190.0°120.0°
C40C39C3790.0°109.5°
C40C39H3090.0°109.5°
C40C39H3190.0°109.5°
C39C40H3290.0°109.5°
C39C40H3390.0°109.5°
C60C46C4390.0°109.5°
C60C46H4490.0°109.5°
C60C46H4590.0°109.5°
C46C60H7090.0°120.0°
C39C37C3590.0°109.5°
C39C37H2690.0°109.5°
C39C37H2790.0°109.5°
C37C39H3090.0°109.5°
C37C39H3190.0°109.5°
C46C43C4190.0°109.5°
C46C43H3890.0°109.5°
C46C43H3990.0°109.4°
C43C46H4490.0°109.4°
C43C46H4590.0°109.4°
O22C35C3790.0°120.0°
O22C35O2090.0°120.0°
C37C35O2090.0°120.0°
C35C37H2690.0°109.5°
C35C37H2790.0°109.5°
C35O20C3190.0°117.0°
C43C41C3890.0°109.5°
C43C41H3490.0°109.4°
C43C41H3590.0°109.4°
C41C43H3890.0°109.5°
C41C43H3990.0°109.5°
C41C38C3690.0°109.5°
C41C38H2890.0°109.5°
C41C38H2990.0°109.5°
C38C41H3490.0°109.5°
C38C41H3590.0°109.5°
O11P01O1090.0°109.4°
O11P01O0490.0°109.5°
O11P01O1690.0°109.5°
O20C31C3090.0°109.5°
O20C31H1890.0°109.4°
O20C31H1990.0°109.5°
C31C30O1990.0°109.5°
C31C30C2990.0°109.4°
C31C30H1790.0°109.5°
C30C31H1890.0°109.5°
C30C31H1990.0°109.4°
C32C33C3490.0°109.4°
C33C32O2190.0°120.0°
C33C32O1990.0°120.0°
C32C33H2090.0°109.5°
C32C33H2190.0°109.4°
C33C34C3690.0°109.4°
C34C33H2090.0°109.5°
C34C33H2190.0°109.5°
C33C34H2290.0°109.5°
C33C34H2390.0°109.5°
C38C36C3490.0°109.5°
C38C36H2490.0°109.5°
C38C36H2590.0°109.4°
C36C38H2890.0°109.4°
C36C38H2990.0°109.4°
C36C34H2290.0°109.5°
C36C34H2390.0°109.5°
C34C36H2490.0°109.5°
C34C36H2590.0°109.5°
O19C30C2990.0°109.4°
C30O19C3290.0°117.0°
O19C30H1790.0°109.5°
C30C29O1090.0°109.5°
C30C29H1590.0°109.5°
C30C29H1690.0°109.4°
C29C30H1790.0°109.4°
O10P01O0490.0°109.5°
O10P01O1690.0°109.5°
P01O10C2990.0°123.0°
O04P01O1690.0°109.5°
P01O04C2590.0°123.0°
P01O16H990.0°114.0°
O21C32O1990.0°120.0°
O10C29H1590.0°109.5°
O10C29H1690.0°109.5°
O04C25C2890.0°109.4°
O04C25C2690.0°109.5°
O04C25H1390.0°109.4°
O09C28C2590.0°109.5°
O09C28C2790.0°109.5°
O09C28H390.0°109.5°
C28O09H690.0°114.0°
C25C28C2790.0°109.5°
C28C25C2690.0°109.5°
C25C28H390.0°109.5°
C28C25H1390.0°109.4°
C28C27O0890.0°109.5°
C28C27C2490.0°109.5°
C27C28H390.0°109.5°
C28C27H1490.0°109.5°
C25C26O0790.0°109.5°
C25C26C2390.0°109.5°
C25C26H290.0°109.5°
C26C25H1390.0°109.5°
O08C27C2490.0°109.5°
C27O08H590.0°114.0°
O08C27H1490.0°109.4°
C27C24C2390.0°109.5°
C27C24O0690.0°109.5°
C27C24H190.0°109.5°
C24C27H1490.0°109.4°
O07C26C2390.0°109.4°
O07C26H290.0°109.5°
C26O07H490.0°113.9°
C26C23C2490.0°109.5°
C26C23O0590.0°109.5°
C23C26H290.0°109.4°
C26C23H1290.0°109.5°
C23C24O0690.0°109.5°
C24C23O0590.0°109.5°
C23C24H190.0°109.4°
C24C23H1290.0°109.4°
C24O06P0390.0°123.1°
O06C24H190.0°109.4°
C23O05P0290.0°123.0°
O05C23H1290.0°109.5°
O06P03O1490.0°109.4°
O06P03O1890.0°109.5°
O06P03O1590.0°109.5°
O05P02O1390.0°109.5°
O05P02O1790.0°109.4°
O05P02O1290.0°109.5°
O14P03O1890.0°109.5°
O14P03O1590.0°109.5°
O13P02O1790.0°109.5°
O13P02O1290.0°109.5°
O18P03O1590.0°109.5°
P03O18H1190.0°114.0°
P03O15H890.0°114.0°
O17P02O1290.0°109.4°
P02O17H1090.0°114.0°
P02O12H790.0°114.0°
H15C29H1690.0°109.5°
H18C31H1990.0°109.5°
H20C33H2190.0°109.5°
H22C34H2390.0°109.5°
H24C36H2590.0°109.4°
H26C37H2790.0°109.5°
H28C38H2990.0°109.5°
H30C39H3190.0°109.5°
H32C40H3390.0°109.5°
H34C41H3590.0°109.5°
H36C42H3790.0°109.5°
H38C43H3990.0°109.4°
H40C44H4190.0°109.5°
H42C45H4390.0°109.5°
H44C46H4590.0°109.5°
H46C47H4790.0°109.5°
H48C48H4990.0°109.5°
H50C49H5190.0°109.5°
H52C50H5390.0°109.5°
H52C50C390.0°109.5°
H53C50C390.0°109.4°
H55C51H5690.0°109.5°
H57C52H5890.0°109.5°
H59C53H6090.0°109.4°
H61C54H6290.0°109.6°
H63C56H6490.0°109.5°
H65C57H6690.0°109.4°
H67C58H6990.0°109.4°
H67C58C190.0°109.5°
H69C58C190.0°109.5°
C58C1C290.0°109.5°
C58C1H8290.0°109.5°
C58C1H8190.0°109.5°
C2C1H8290.0°109.4°
C2C1H8190.0°109.5°
C1C2H8490.0°109.5°
C1C2H8390.0°109.4°
C1C2H8590.0°109.5°
C50C3C490.0°109.5°
C50C3H8090.0°109.5°
C50C3H7990.0°109.4°
C3C4C590.0°109.4°
C3C4H7790.0°109.4°
C3C4H7890.0°109.5°
C4C3H8090.0°109.4°
C4C3H7990.0°109.5°
C4C5C690.0°109.4°
C4C5H7690.0°109.4°
C4C5H7590.0°109.4°
C5C4H7790.0°109.5°
C5C4H7890.0°109.5°
C5C6H7490.0°109.5°
C5C6H5490.0°109.6°
C5C6H6890.0°109.5°
C6C5H7690.0°109.5°
C6C5H7590.0°109.5°
H82C1H8190.0°109.4°
H84C2H8390.0°109.5°
H84C2H8590.0°109.5°
H83C2H8590.0°109.4°
H74C6H5490.0°109.5°
H74C6H6890.0°109.4°
H54C6H6890.0°109.5°
H76C5H7590.0°109.5°
H77C4H7890.0°109.5°
H80C3H7990.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C53C57C63H6590.0°120.0°
C53C57C63H6690.0°120.0°
C57C53C49H5990.0°120.0°
C57C53C49H6090.0°120.0°
C57C53C49C5090.0°180.0°
C53C57C63C6290.0°125.0°
C57C53C49H5090.0°60.0°
C57C53C49H5190.0°60.0°
C57C53H59H6090.0°120.0°
C53C57H65H6690.0°120.0°
C53C57C63H7390.0°55.0°
C63C57C53C4990.0°180.0°
C57C63C62H7390.0°180.0°
C57C63C62C5190.0°180.0°
C63C57C53H5990.0°60.0°
C63C57C53H6090.0°59.9°
C63C57H65H6690.0°120.0°
C57C63C62H7290.0°0.0°
C53C49C50H5090.0°120.0°
C53C49C50H5190.0°119.9°
C53C49H50H5190.0°120.0°
C53C49C50H5290.0°60.0°
C53C49C50H5390.0°60.0°
C49C53H59H6090.0°120.0°
C49C53C57H6590.0°60.0°
C49C53C57H6690.0°60.0°
C53C49C50C390.0°180.0°
C50C49H50H5190.0°120.0°
C49C50H52H5390.0°120.0°
C49C50H52C390.0°120.0°
C49C50H53C390.0°120.0°
C50C49C53H5990.0°60.0°
C50C49C53H6090.0°60.0°
C49C50C3C490.0°180.0°
C49C50C3H8090.0°60.1°
C49C50C3H7990.0°60.0°
C63C62C51H7290.0°180.0°
C63C62C51C4590.0°125.1°
C63C62C51H5590.0°5.1°
C63C62C51H5690.0°115.0°
C62C63C57H6590.0°4.9°
C62C63C57H6690.0°115.0°
C62C51C45H5590.0°120.0°
C62C51C45H5690.0°120.0°
C62C51C45C4490.0°180.0°
C62C51C45H4290.0°60.0°
C62C51C45H4390.0°60.0°
C62C51H55H5690.0°120.0°
C51C62C63H7390.0°0.0°
C51C45C44H4290.0°120.0°
C51C45C44H4390.0°120.0°
C51C45C44C4290.0°180.0°
C51C45C44H4090.0°60.0°
C51C45C44H4190.0°60.0°
C51C45H42H4390.0°120.0°
C45C51H55H5690.0°120.0°
C45C51C62H7290.0°55.0°
C48C54C58H6190.0°120.0°
C48C54C58H6290.0°119.9°
C54C48C47H4890.0°120.0°
C54C48C47H4990.0°120.0°
C54C48C47C5290.0°180.0°
C54C48C47H4690.0°60.0°
C54C48C47H4790.0°60.0°
C54C48H48H4990.0°120.0°
C48C54H61H6290.0°120.0°
C48C54C58H6790.0°60.0°
C48C54C58H6990.0°60.0°
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C58C1C2H8490.0°179.9°
C58C1C2H8390.0°60.0°
C58C1C2H8590.0°59.9°
C2C1H82H8190.0°120.0°
C1C2H84H8390.0°120.0°
C1C2H84H8590.0°120.0°
C1C2H83H8590.0°120.0°
C50C3C4H8090.0°120.0°
C50C3C4H7990.0°120.0°
C50C3C4C590.0°180.0°
C50C3C4H7790.0°60.0°
C50C3C4H7890.0°60.0°
C50C3H80H7990.0°120.0°
C3C4C5H7790.0°120.0°
C3C4C5H7890.0°120.0°
C3C4C5C690.0°180.0°
C3C4C5H7690.0°60.0°
C3C4C5H7590.0°60.0°
C3C4H77H7890.0°120.0°
C4C3H80H7990.0°120.1°
C4C5C6H7690.0°120.0°
C4C5C6H7590.0°119.9°
C4C5C6H7490.0°180.0°
C4C5C6H5490.0°60.0°
C4C5C6H6890.0°60.1°
C4C5H76H7590.0°120.0°
C5C4H77H7890.0°120.1°
C5C4C3H8090.0°60.0°
C5C4C3H7990.0°60.0°
C5C6H74H5490.0°120.1°
C5C6H74H6890.0°120.0°
C5C6H54H6890.0°120.1°
C6C5H76H7590.0°120.1°
C6C5C4H7790.0°60.0°
C6C5C4H7890.0°60.0°
H82C1C2H8490.0°59.9°
H82C1C2H8390.0°180.0°
H82C1C2H8590.0°60.1°
H81C1C2H8490.0°60.0°
H81C1C2H8390.0°60.1°
H81C1C2H8590.0°180.0°
H84C2H83H8590.0°120.0°
H74C6H54H6890.0°119.9°
H74C6C5H7690.0°60.0°
H74C6C5H7590.0°60.1°
H54C6C5H7690.0°179.9°
H54C6C5H7590.0°60.0°
H68C6C5H7690.0°59.9°
H68C6C5H7590.0°180.0°
H76C5C4H7790.0°180.0°
H76C5C4H7890.0°60.0°
H75C5C4H7790.0°60.0°
H75C5C4H7890.0°180.0°
H77C4C3H8090.0°179.9°
H77C4C3H7990.0°60.0°
H78C4C3H8090.0°60.0°
H78C4C3H7990.0°180.0°

227344

PDB entries from 2024-11-13

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