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LR4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C31N28sing1.47Å1.49Å
N16C8sing1.38Å1.35Å
C27N28sing1.47Å1.50Å
C27C26sing1.53Å1.54Å
S9C8sing1.70Å1.73ÅAromatic
S9C5sing1.76Å1.74ÅAromatic
N28C29sing1.47Å1.49Å
C8C7doub1.37Å1.39ÅAromatic
C29C30sing1.53Å1.54Å
C26C32sing1.53Å1.52Å
C26N25sing1.47Å1.48Å
C7C23sing1.43Å1.43Å
C7C6sing1.45Å1.43ÅAromatic
C5C1sing1.52Å1.50Å
C5C6doub1.34Å1.36ÅAromatic
N13O12sing1.21Å1.43ÅAromatic
N13C14doub1.31Å1.31ÅAromatic
O12C11sing1.34Å1.34ÅAromatic
C23N24trip1.14Å1.15Å
C1C2sing1.53Å1.54Å
C6C4sing1.52Å1.53Å
N25C30sing1.47Å1.48Å
N25C19sing1.39Å1.40Å
N18C19doub1.32Å1.35ÅAromatic
N18C17sing1.33Å1.34ÅAromatic
C14C17sing1.48Å1.48Å
C14N15sing1.35Å1.38ÅAromatic
C11C4sing1.51Å1.54Å
C11N15doub1.31Å1.28ÅAromatic
C19C20sing1.39Å1.42ÅAromatic
C17C22doub1.39Å1.39ÅAromatic
C4C3sing1.53Å1.55Å
C4C10sing1.53Å1.54Å
C2C3sing1.53Å1.53Å
C20C21doub1.38Å1.38ÅAromatic
C22C21sing1.39Å1.38ÅAromatic
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C10H3sing1.09Å1.10Å
C20H4sing1.08Å1.08Å
C21H5sing1.08Å1.08Å
C22H6sing1.08Å1.08Å
C26H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C27H12sing1.09Å1.10Å
C27H13sing1.09Å1.10Å
C29H14sing1.09Å1.10Å
C29H15sing1.09Å1.10Å
C3H16sing1.09Å1.10Å
C3H17sing1.09Å1.10Å
C30H18sing1.09Å1.10Å
C30H19sing1.09Å1.10Å
C31H20sing1.09Å1.10Å
C31H21sing1.09Å1.10Å
C31H22sing1.09Å1.10Å
C32H23sing1.09Å1.10Å
C32H24sing1.09Å1.10Å
C32H25sing1.09Å1.10Å
N16H26sing0.97Å1.00Å
N16H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C31N28C27111.0°111.0°
C31N28C29111.8°111.0°
N28C31H20109.5°109.4°
N28C31H21109.4°109.5°
N28C31H22109.5°109.5°
N16C8S9120.9°124.6°
N16C8C7128.4°124.6°
C8N16H26109.5°120.0°
C8N16H27109.5°120.0°
N28C27C26110.5°109.3°
C27N28C29110.0°110.9°
N28C27H12109.2°109.5°
N28C27H13109.2°109.5°
C27C26C32111.5°109.5°
C27C26N25113.3°109.4°
C27C26H7106.5°109.5°
C26C27H12109.2°109.5°
C26C27H13109.2°109.5°
C8S9C591.5°92.8°
S9C8C7110.7°110.7°
S9C5C1121.6°124.9°
S9C5C6112.6°110.8°
N28C29C30110.4°109.4°
N28C29H14109.3°109.5°
N28C29H15109.2°109.6°
C8C7C23121.3°123.3°
C8C7C6113.3°113.3°
C29C30N25111.3°109.3°
C30C29H14109.2°109.4°
C30C29H15109.2°109.4°
C29C30H18109.0°109.5°
C29C30H19109.0°109.5°
C32C26N25111.1°109.5°
C32C26H7106.8°109.5°
C26C32H23109.5°109.5°
C26C32H24109.5°109.4°
C26C32H25109.5°109.5°
C26N25C30117.3°110.9°
C26N25C19120.6°111.0°
N25C26H7107.3°109.4°
C23C7C6125.4°123.4°
C7C23N24177.7°179.9°
C7C6C5111.9°112.4°
C7C6C4124.4°124.1°
C1C5C6125.7°124.3°
C5C1C2109.5°108.7°
C5C1H8109.5°109.6°
C5C1H9109.4°109.6°
C5C6C4123.6°123.5°
O12N13C14103.2°110.1°
N13O12C11105.1°110.0°
N13C14C17124.3°126.4°
N13C14N15114.5°107.1°
O12C11C4118.4°126.4°
O12C11N15115.1°107.1°
C1C2C3110.8°109.0°
C2C1H8109.5°109.6°
C2C1H9109.5°109.6°
C1C2H10109.2°109.5°
C1C2H11109.1°109.6°
C6C4C11109.2°109.7°
C6C4C3108.5°108.8°
C6C4C10109.4°109.6°
C30N25C19121.8°111.0°
N25C30H18109.0°109.5°
N25C30H19109.0°109.5°
N25C19N18116.4°119.6°
N25C19C20121.8°119.7°
C19N18C17118.3°121.5°
N18C19C20121.8°120.7°
N18C17C14117.1°119.7°
N18C17C22123.1°120.6°
C17C14N15121.2°126.4°
C14C17C22119.8°119.7°
C14N15C11102.0°105.6°
C4C11N15126.5°126.5°
C11C4C3108.4°109.6°
C11C4C10111.0°109.6°
C19C20C21118.2°119.3°
C19C20H4120.9°120.3°
C17C22C21118.6°119.3°
C17C22H6120.7°120.4°
C3C4C10110.3°109.6°
C4C3C2113.3°109.2°
C4C3H16108.5°109.5°
C4C3H17108.5°109.5°
C4C10H1109.5°109.4°
C4C10H2109.5°109.5°
C4C10H3109.5°109.5°
C3C2H10109.1°109.5°
C3C2H11109.2°109.5°
C2C3H16108.5°109.5°
C2C3H17108.5°109.5°
C20C21C22119.9°118.6°
C21C20H4120.9°120.4°
C20C21H5120.1°120.7°
C22C21H5120.0°120.7°
C21C22H6120.7°120.4°
H1C10H2109.4°109.5°
H1C10H3109.5°109.5°
H2C10H3109.5°109.5°
H8C1H9109.5°109.8°
H10C2H11109.5°109.7°
H12C27H13109.5°109.6°
H14C29H15109.5°109.5°
H16C3H17109.5°109.6°
H18C30H19109.5°109.5°
H20C31H21109.5°109.5°
H20C31H22109.5°109.5°
H21C31H22109.5°109.5°
H23C32H24109.5°109.4°
H23C32H25109.4°109.6°
H24C32H25109.5°109.5°
H26N16H27109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C31N28C27C29124.2°123.8°
C31N28C27C26177.0°176.8°
C31N28C29C30173.8°176.8°
C31N28C27H1256.8°63.3°
C31N28C27H1362.9°56.9°
C31N28C29H1466.0°56.9°
C31N28C29H1553.7°63.2°
N28C31H20H21120.0°120.0°
N28C31H20H22120.0°120.0°
N28C31H21H22120.0°120.0°
N16C8S9C7179.8°180.0°
N16C8S9C5179.5°180.0°
N16C8C7C231.7°0.0°
N16C8C7C6179.5°179.9°
C8N16H26H27120.0°179.9°
N28C27C26H12120.1°119.9°
N28C27C26H13120.2°120.0°
C27N28C29C3062.4°59.4°
N28C27C26C3278.1°61.6°
N28C27C26N2548.0°58.4°
N28C27C26H7165.8°178.4°
N28C27H12H13119.5°120.1°
C27N28C29H1457.7°179.3°
C27N28C29H15177.4°60.6°
C27N28C31H20180.0°60.0°
C27N28C31H2160.0°180.0°
C27N28C31H2260.0°60.0°
C26C27N28C2958.8°59.4°
C27C26C32N25127.4°120.0°
C27C26C32H7116.0°120.1°
C27C26N25H7117.3°120.0°
C27C26N25C3042.5°59.3°
C27C26N25C19142.9°176.8°
C26C27H12H13119.5°120.1°
C27C26C32H23180.0°59.8°
C27C26C32H2460.0°60.1°
C27C26C32H2560.0°179.9°
S9C8C7C23178.6°180.0°
S9C8C7C60.2°0.0°
C8S9C5C1175.1°180.0°
C8S9C5C60.3°0.0°
S9C8N16H260.0°180.0°
S9C8N16H27120.0°0.1°
C5S9C8C70.3°0.0°
S9C5C6C70.2°0.0°
S9C5C1C6174.7°180.0°
S9C5C1C2158.9°163.4°
S9C5C6C4176.4°179.9°
S9C5C1H881.1°76.9°
S9C5C1H938.9°43.6°
N28C29C30H14120.2°120.0°
N28C29C30H15120.1°120.0°
N28C29C30N2554.1°58.4°
C29N28C27H12179.0°60.6°
C29N28C27H1361.3°179.3°
N28C29H14H15119.6°120.2°
N28C29C30H18174.4°178.4°
N28C29C30H1966.2°61.5°
C29N28C31H2056.8°176.2°
C29N28C31H2163.2°56.2°
C29N28C31H22176.8°63.8°
C8C7C23C6178.7°180.0°
C8C7C6C50.0°0.0°
C8C7C23N2451.4°139.7°
C8C7C6C4176.2°179.9°
C7C8N16H26179.7°0.0°
C7C8N16H2760.3°179.9°
C29C30N25C2645.0°59.3°
C29C30N25H18120.2°120.0°
C29C30N25H19120.3°120.0°
C29C30N25C19140.5°176.8°
C30C29H14H15119.6°120.0°
C29C30H18H19119.2°120.1°
C32C26N25H7116.3°120.0°
C32C26N25C3083.9°60.7°
C32C26N25C1990.7°63.2°
C32C26C27H1242.0°178.5°
C32C26C27H13161.7°58.4°
C26C32H23H24120.0°119.9°
C26C32H23H25120.0°120.1°
C26C32H24H25120.0°120.0°
C26N25C30C19174.5°123.9°
C26N25C19N188.5°0.8°
C26N25C19C20174.5°180.0°
N25C26C27H12168.2°61.5°
N25C26C27H1372.1°178.4°
C26N25C30H18165.2°179.3°
C26N25C30H1975.3°60.7°
N25C26C32H2352.6°60.1°
N25C26C32H2467.4°180.0°
N25C26C32H25172.6°60.0°
C23C7C6C5178.7°180.0°
C23C7C6C45.1°0.1°
C7C6C5C1174.9°179.9°
C7C6C5C4176.2°180.0°
C6C7C23N24127.3°40.3°
C7C6C4C1154.0°43.0°
C7C6C4C3172.0°162.8°
C7C6C4C1067.6°77.3°
C5C1C2H8120.0°119.8°
C5C1C2H9120.0°119.7°
C1C5C6C41.3°0.1°
C5C1C2C346.1°50.0°
C5C1H8H9120.0°120.3°
C5C1C2H10166.3°169.8°
C5C1C2H1174.1°69.9°
C6C5C1C215.8°16.7°
C5C6C4C11130.2°137.0°
C5C6C4C312.2°17.2°
C5C6C4C10108.2°102.6°
C6C5C1H8104.2°103.1°
C6C5C1H9135.8°136.4°
O12N13C14C17179.0°179.9°
O12N13C14N150.1°0.0°
N13O12C11C4178.3°180.0°
N13O12C11N150.3°0.3°
C14N13O12C110.2°0.1°
N13C14C17N1813.4°5.6°
N13C14C17N15179.0°179.8°
N13C14N15C110.1°0.2°
N13C14C17C22167.3°174.6°
O12C11C4C655.9°126.2°
O12C11N15C140.2°0.3°
O12C11C4N15178.4°179.7°
O12C11C4C362.1°114.5°
O12C11C4C10176.5°5.8°
C1C2C3C463.8°70.4°
C1C2C3H10120.2°119.8°
C1C2C3H11120.2°119.9°
C2C1H8H9120.0°120.4°
C1C2H10H11119.4°120.3°
C1C2C3H16175.6°169.7°
C1C2C3H1756.8°49.6°
C6C4C11C3118.0°119.3°
C6C4C11C10120.7°120.4°
C6C4C11N15125.7°54.1°
C6C4C3C10119.8°119.8°
C6C4C3C243.9°50.7°
C6C4C10H1180.0°59.3°
C6C4C10H260.0°60.7°
C6C4C10H360.0°179.3°
C6C4C3H16164.4°170.6°
C6C4C3H1776.7°69.2°
C30N25C19N18177.2°124.6°
C30N25C19C200.2°56.2°
C30N25C26H7159.8°179.3°
N25C30C29H1466.1°178.4°
N25C30C29H15174.2°61.6°
N25C30H18H19119.1°120.0°
N25C19N18C20177.0°179.2°
N25C19N18C17177.0°179.8°
N25C19C20C21176.9°180.0°
N25C19C20H43.1°0.1°
C19N25C26H725.7°56.8°
C19N25C30H1820.3°56.8°
C19N25C30H1999.2°63.2°
C19N18C17C14179.2°179.8°
C19N18C17C220.1°0.0°
N18C19C20C210.0°0.8°
N18C19C20H4180.0°179.3°
N18C17C14C22179.3°179.8°
N18C17C14N15167.6°174.6°
C17N18C19C200.0°0.6°
N18C17C22C210.2°0.2°
N18C17C22H6179.8°179.7°
C17C14N15C11179.2°180.0°
C14C17C22C21179.1°180.0°
C14C17C22H60.9°0.1°
C14N15C11C4178.2°180.0°
N15C14C17C2211.7°5.2°
C11C4C3C10121.7°120.3°
C11C4C3C2162.4°170.5°
C11C4C10H159.5°179.7°
C11C4C10H2179.4°59.7°
C11C4C10H360.6°60.3°
C11C4C3H1677.1°69.6°
C11C4C3H1741.8°50.6°
N15C11C4C3116.2°65.2°
N15C11C4C105.1°174.5°
C19C20C21H4180.0°179.9°
C19C20C21C220.1°0.6°
C19C20C21H5179.9°180.0°
C17C22C21C200.2°0.1°
C17C22C21H6180.0°179.9°
C17C22C21H5179.8°179.5°
C4C3C2H16120.6°119.9°
C4C3C2H17120.6°119.9°
C3C4C10H160.7°60.0°
C3C4C10H259.3°180.0°
C3C4C10H3179.2°60.0°
C4C3C2H10176.0°169.8°
C4C3C2H1156.4°49.5°
C4C3H16H17118.2°120.2°
C10C4C3C275.9°69.1°
C4C10H1H2120.0°120.0°
C4C10H1H3120.0°120.0°
C4C10H2H3120.0°120.0°
C10C4C3H1644.6°50.7°
C10C4C3H17163.5°170.9°
C3C2C1H873.9°69.8°
C3C2C1H9166.1°169.7°
C3C2H10H11119.4°120.2°
C2C3H16H17118.2°120.1°
C20C21C22H5180.0°179.4°
C20C21C22H6179.8°180.0°
C22C21C20H4179.9°179.5°
H1C10H2H3120.0°120.1°
H4C20C21H50.1°0.1°
H5C21C22H60.2°0.6°
H7C26C27H1274.1°58.4°
H7C26C27H1345.6°61.7°
H7C26C32H2364.1°179.9°
H7C26C32H24175.9°60.0°
H7C26C32H2555.9°60.0°
H8C1C2H1046.3°50.1°
H8C1C2H11165.9°170.4°
H9C1C2H1073.7°70.4°
H9C1C2H1145.9°49.9°
H10C2C3H1655.4°49.9°
H10C2C3H1763.4°70.3°
H11C2C3H1664.2°70.4°
H11C2C3H17177.0°169.4°
H14C29C30H1854.2°61.6°
H14C29C30H19173.7°58.4°
H15C29C30H1865.5°58.4°
H15C29C30H1954.0°178.4°
H20C31H21H22120.0°120.0°
H23C32H24H25120.0°120.1°

222624

PDB entries from 2024-07-17

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