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LL3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C43C34doub1.38Å1.40ÅAromatic
C34C36sing1.38Å1.39ÅAromatic
C34H34sing1.08Å1.08Å
C43C41sing1.38Å1.39ÅAromatic
C43H43sing1.08Å1.08Å
C41C39doub1.38Å1.39ÅAromatic
C41H41sing1.08Å1.08Å
C39C37sing1.38Å1.40ÅAromatic
C39H39sing1.08Å1.08Å
C36C37doub1.38Å1.38ÅAromatic
C37H37sing1.08Å1.08Å
C36C01sing1.51Å1.54Å
C04C01sing1.51Å1.54Å
C01H01sing1.09Å1.10Å
C01H01Asing1.09Å1.10Å
O06C04doub1.21Å1.23Å
C04N05sing1.35Å1.35Å
C07N05sing1.47Å1.51Å
N05C18sing1.47Å1.51Å
C18C15sing1.53Å1.53Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C13C15sing1.53Å1.54Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C07C10sing1.53Å1.52Å
C07H07sing1.09Å1.10Å
C07H07Asing1.09Å1.10Å
C10C13sing1.53Å1.54Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C13C21sing1.51Å1.51Å
C13H13sing1.09Å1.10Å
N25C21doub1.31Å1.32ÅAromatic
C21O22sing1.34Å1.34ÅAromatic
N25C24sing1.35Å1.33ÅAromatic
O22N23sing1.21Å1.42ÅAromatic
C24N23doub1.31Å1.33ÅAromatic
C26C24sing1.48Å1.39ÅAromatic
C27C26doub1.35Å1.34ÅAromatic
C26S33sing1.76Å1.70ÅAromatic
C29C27sing1.38Å1.36ÅAromatic
C27H27sing1.08Å1.08Å
C29C31doub1.34Å1.34ÅAromatic
C29H29sing1.08Å1.08Å
C31S33sing1.76Å1.68ÅAromatic
C31H31sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C43C34C36120.8°120.0°
C43C34H34119.6°120.0°
C34C43C41120.8°120.0°
C34C43H43119.6°120.0°
C36C34H34119.6°120.0°
C34C36C37118.0°120.0°
C34C36C01122.5°120.0°
C41C43H43119.6°120.0°
C43C41C39118.3°120.0°
C43C41H41120.9°120.0°
C39C41H41120.9°120.0°
C41C39C37120.5°120.0°
C41C39H39119.8°120.0°
C37C39H39119.7°120.0°
C39C37C36121.5°120.0°
C39C37H37119.3°120.0°
C36C37H37119.2°120.0°
C37C36C01119.5°120.0°
C36C01C04115.7°109.5°
C36C01H01107.5°109.5°
C36C01H01A107.5°109.5°
C04C01H01107.4°109.4°
C04C01H01A107.5°109.5°
C01C04O06120.7°120.0°
C01C04N05119.6°120.0°
H01C01H01A111.4°109.5°
O06C04N05119.6°120.0°
C04N05C07118.4°120.7°
C04N05C18118.3°120.6°
C07N05C18123.1°118.8°
N05C07C10112.1°108.8°
N05C07H07108.6°109.6°
N05C07H07A108.6°109.6°
N05C18C15112.3°108.7°
N05C18H18108.5°109.6°
N05C18H18A108.6°109.6°
C15C18H18108.6°109.6°
C15C18H18A108.5°109.6°
C18C15C13112.8°109.3°
C18C15H15108.4°109.5°
C18C15H15A108.4°109.5°
H18C18H18A110.4°109.7°
C13C15H15108.4°109.5°
C13C15H15A108.4°109.5°
C15C13C10109.4°109.4°
C15C13C21106.7°109.3°
C15C13H13111.6°109.7°
H15C15H15A110.5°109.5°
C10C07H07108.6°109.6°
C10C07H07A108.6°109.6°
C07C10C13106.1°109.3°
C07C10H10110.6°109.5°
C07C10H10A110.6°109.4°
H07C07H07A110.3°109.7°
C13C10H10110.6°109.6°
C13C10H10A110.6°109.4°
C10C13C21110.1°109.4°
C10C13H13108.3°109.5°
H10C10H10A108.3°109.5°
C21C13H13110.9°109.5°
C13C21N25125.9°126.4°
C13C21O22123.1°126.4°
N25C21O22111.0°107.2°
C21N25C24108.1°105.6°
C21O22N23104.3°110.0°
N25C24N23109.3°107.1°
N25C24C26123.7°126.5°
O22N23C24107.3°110.0°
N23C24C26127.0°126.4°
C24C26C27128.4°125.3°
C24C26S33123.7°125.2°
C27C26S33107.8°109.5°
C26C27C29113.5°114.7°
C26C27H27123.3°122.6°
C26S33C3195.2°91.0°
C29C27H27123.2°122.7°
C27C29C31116.9°115.1°
C27C29H29121.5°122.5°
C31C29H29121.5°122.5°
C29C31S33106.4°109.8°
C29C31H31126.8°125.1°
S33C31H31126.8°125.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C43C34C36H34180.0°179.7°
C34C43C41H43180.0°180.0°
C34C43C41C391.8°0.0°
C34C43C41H41178.3°180.0°
C43C34C36C371.2°0.1°
C43C34C36C01178.5°179.7°
C36C34C43C411.6°0.0°
C36C34C43H43178.4°180.0°
C34C36C37C391.0°0.1°
C34C36C37C01177.4°179.7°
C34C36C37H37179.0°180.0°
C34C36C01C0461.4°90.0°
C34C36C01H01178.6°150.0°
C34C36C01H01A58.6°30.0°
H34C34C43C41178.4°179.7°
H34C34C43H431.6°0.3°
H34C34C36C37178.8°179.7°
H34C34C36C011.5°0.0°
C43C41C39H41180.0°180.0°
C43C41C39C371.5°0.1°
C43C41C39H39178.5°180.0°
H43C43C41C39178.3°180.0°
H43C43C41H411.7°0.0°
C41C39C37H39180.0°180.0°
C41C39C37C361.2°0.1°
C41C39C37H37178.8°180.0°
H41C41C39C37178.5°180.0°
H41C41C39H391.5°0.0°
C39C37C36H37180.0°179.9°
C39C37C36C01178.4°179.8°
H39C39C37C36178.8°179.9°
H39C39C37H371.2°0.0°
C37C36C01C04121.4°90.3°
C37C36C01H011.4°29.6°
C37C36C01H01A118.6°149.7°
H37C37C36C011.7°0.3°
C36C01C04H01120.0°120.0°
C36C01C04H01A120.0°120.0°
C36C01H01H01A117.5°120.0°
C36C01C04O068.5°0.0°
C36C01C04N05172.0°180.0°
C04C01H01H01A117.4°120.0°
C01C04O06N05179.5°180.0°
C01C04N05C07177.6°0.3°
C01C04N05C182.8°180.0°
H01C01C04O06128.5°120.0°
H01C01C04N0552.0°60.0°
H01AC01C04O06111.5°120.0°
H01AC01C04N0568.0°60.0°
O06C04N05C073.0°179.7°
O06C04N05C18177.7°0.0°
C04N05C07C18174.5°179.8°
C04N05C18C15161.4°126.4°
C04N05C18H1878.6°113.8°
C04N05C18H18A41.4°6.7°
C04N05C07C10151.0°126.4°
C04N05C07H0731.0°6.6°
C04N05C07H07A89.0°113.8°
C07N05C18C1524.1°53.4°
C07N05C18H1895.9°66.4°
C07N05C18H18A144.2°173.1°
N05C07C10H07120.0°119.8°
N05C07C10H07A120.0°119.8°
N05C07H07H07A118.9°120.4°
N05C07C10C1354.1°54.8°
N05C07C10H1065.9°65.3°
N05C07C10H10A174.0°174.6°
N05C18C15H18120.0°119.7°
N05C18C15H18A120.0°119.8°
N05C18H18H18A118.8°120.4°
N05C18C15C1336.0°54.6°
N05C18C15H15156.0°174.5°
N05C18C15H15A84.0°65.4°
C18N05C07C1034.6°53.4°
C18N05C07H07154.6°173.2°
C18N05C07H07A85.4°66.4°
C15C18H18H18A118.8°120.4°
C18C15C13H15120.0°119.9°
C18C15C13H15A120.0°120.0°
C18C15H15H15A118.6°120.1°
C18C15C13C1060.9°61.7°
C18C15C13C21179.9°178.5°
C18C15C13H1358.8°58.5°
H18C18C15C1384.0°65.1°
H18C18C15H1536.0°54.8°
H18C18C15H15A156.0°174.9°
H18AC18C15C13156.0°174.4°
H18AC18C15H1584.0°65.7°
H18AC18C15H15A36.0°54.4°
C13C15H15H15A118.7°120.1°
C15C13C10C0769.0°61.7°
C15C13C10C21116.9°119.7°
C15C13C10H13121.8°120.3°
C15C13C10H1051.0°58.3°
C15C13C10H10A171.0°178.5°
C15C13C21H13121.7°120.2°
C15C13C21N25114.7°119.9°
C15C13C21O2263.6°59.7°
H15C15C13C10179.0°178.4°
H15C15C13C2160.0°58.6°
H15C15C13H1361.2°61.4°
H15AC15C13C1059.1°58.3°
H15AC15C13C2159.9°61.5°
H15AC15C13H13178.8°178.5°
C10C07H07H07A119.0°120.4°
C07C10C13H10120.0°120.0°
C07C10C13H10A120.0°119.9°
C07C10H10H10A121.4°120.0°
C07C10C13C21174.1°178.6°
C07C10C13H1352.7°58.6°
H07C07C10C13174.1°174.6°
H07C07C10H1054.1°54.5°
H07C07C10H10A66.0°65.6°
H07AC07C10C1365.9°65.1°
H07AC07C10H10174.1°174.9°
H07AC07C10H10A54.1°54.8°
C13C10H10H10A121.3°120.1°
C10C13C21H13119.8°120.0°
C10C13C21N253.8°120.3°
C10C13C21O22177.9°60.0°
H10C10C13C2165.9°61.4°
H10C10C13H13172.7°178.6°
H10AC10C13C2154.1°58.7°
H10AC10C13H1367.3°61.2°
C13C21N25O22178.5°179.7°
C13C21N25C24178.3°180.0°
C13C21O22N23178.5°180.0°
H13C13C21N25123.7°0.3°
H13C13C21O2258.1°179.9°
N25C21O22N230.0°0.3°
C21N25C24N230.2°0.2°
C21N25C24C26179.8°180.0°
O22C21N25C240.1°0.3°
C21O22N23C240.1°0.2°
N25C24N23O220.1°0.0°
N25C24N23C26179.9°179.8°
N25C24C26C2714.1°179.7°
N25C24C26S33163.3°0.1°
O22N23C24C26179.8°179.8°
N23C24C26C27166.0°0.5°
N23C24C26S3316.5°179.8°
C24C26C27S33177.7°179.7°
C24C26C27C29179.2°180.0°
C24C26C27H270.8°0.0°
C24C26S33C31179.0°179.9°
C26C27C29H27180.0°180.0°
C26C27C29C311.2°0.0°
C26C27C29H29178.8°180.0°
C27C26S33C311.1°0.4°
S33C26C27C291.5°0.3°
S33C26C27H27178.5°179.7°
C26S33C31C290.5°0.3°
C26S33C31H31179.5°179.9°
C27C29C31H29180.0°180.0°
C27C29C31S330.3°0.3°
C27C29C31H31179.7°180.0°
H27C27C29C31178.8°180.0°
H27C27C29H291.2°0.0°
C29C31S33H31180.0°179.7°
H29C29C31S33179.7°179.7°
H29C29C31H310.3°0.0°

222926

PDB entries from 2024-07-24

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