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07J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13O12sing1.43Å1.43Å
O12C11sing1.36Å1.39Å
C11C10doub1.39Å1.38ÅAromatic
C11C14sing1.39Å1.38ÅAromatic
CL2C14sing1.74Å1.72Å
C10C7sing1.39Å1.38ÅAromatic
C14C4doub1.39Å1.38ÅAromatic
C9O8sing1.43Å1.42Å
C7O8sing1.36Å1.39Å
C7C5doub1.39Å1.38ÅAromatic
O1C2doub1.22Å1.23Å
C4C5sing1.39Å1.38ÅAromatic
C4N3sing1.40Å1.41Å
C5CL1sing1.74Å1.72Å
C2N3sing1.35Å1.38Å
C2N16sing1.35Å1.39Å
C17N16sing1.46Å1.45Å
N16C18sing1.39Å1.42Å
C18C19doub1.39Å1.38ÅAromatic
C18N23sing1.33Å1.34ÅAromatic
C26C27doub1.38Å1.38ÅAromatic
C26C25sing1.39Å1.38ÅAromatic
C19C20sing1.39Å1.38ÅAromatic
N23C22doub1.32Å1.34ÅAromatic
C27C28sing1.39Å1.39ÅAromatic
C38C37sing1.53Å1.52Å
C38N31sing1.47Å1.46Å
C37N34sing1.47Å1.49Å
C20N24sing1.39Å1.41Å
C20N21doub1.33Å1.34ÅAromatic
C22N21sing1.32Å1.34ÅAromatic
N24C25sing1.40Å1.41Å
C25C30doub1.39Å1.38ÅAromatic
N34C35sing1.47Å1.48Å
N34C33sing1.47Å1.49Å
C35C36sing1.53Å1.51Å
C28N31sing1.40Å1.41Å
C28C29doub1.39Å1.38ÅAromatic
N31C32sing1.47Å1.46Å
C32C33sing1.53Å1.52Å
C30C29sing1.38Å1.38ÅAromatic
N3H1sing0.97Å1.00Å
C9H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C10H5sing1.08Å1.08Å
C13H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C19H12sing1.08Å1.08Å
C22H13sing1.08Å1.08Å
N24H14sing0.97Å1.00Å
C26H15sing1.08Å1.08Å
C27H16sing1.08Å1.08Å
C29H17sing1.08Å1.08Å
C30H18sing1.08Å1.08Å
C32H19sing1.09Å1.10Å
C32H20sing1.09Å1.10Å
C33H21sing1.09Å1.10Å
C33H22sing1.09Å1.10Å
C35H24sing1.09Å1.10Å
C35H25sing1.09Å1.10Å
C36H26sing1.09Å1.10Å
C36H27sing1.09Å1.10Å
C36H28sing1.09Å1.10Å
C37H29sing1.09Å1.10Å
C37H30sing1.09Å1.10Å
C38H31sing1.09Å1.10Å
C38H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13O12C11110.9°117.0°
O12C13H6109.5°109.5°
O12C13H7109.5°109.5°
O12C13H8109.5°109.5°
O12C11C10123.8°120.0°
O12C11C14117.0°120.0°
C10C11C14119.2°120.0°
C11C10C7120.1°120.0°
C11C10H5120.0°120.0°
C11C14CL2119.9°120.0°
C11C14C4121.0°119.9°
CL2C14C4119.1°120.0°
C10C7O8123.4°120.0°
C10C7C5120.2°120.0°
C7C10H5120.0°120.0°
C14C4C5119.6°120.0°
C14C4N3118.3°120.0°
C9O8C7110.7°117.0°
O8C9H2109.5°109.5°
O8C9H3109.5°109.4°
O8C9H4109.5°109.4°
O8C7C5116.4°120.0°
C7C5C4119.9°120.0°
C7C5CL1119.1°120.0°
O1C2N3121.6°120.0°
O1C2N16122.9°120.0°
C5C4N3122.1°120.0°
C4C5CL1121.0°120.0°
C4N3C2120.4°120.0°
C4N3H1119.8°120.0°
N3C2N16115.5°120.0°
C2N3H1119.8°120.0°
C2N16C17118.1°120.0°
C2N16C18124.4°119.9°
C17N16C18117.4°120.0°
N16C17H9109.5°109.5°
N16C17H10109.5°109.5°
N16C17H11109.4°109.5°
N16C18C19118.4°120.5°
N16C18N23120.5°120.5°
C19C18N23121.1°119.0°
C18C19C20119.0°118.3°
C18C19H12120.5°120.9°
C18N23C22115.6°120.9°
C27C26C25120.6°120.1°
C26C27C28120.9°119.9°
C27C26H15119.7°120.0°
C26C27H16119.6°120.0°
C26C25N24122.3°120.0°
C26C25C30118.7°120.0°
C25C26H15119.7°120.0°
C19C20N24122.1°120.5°
C19C20N21120.8°119.0°
C20C19H12120.5°120.9°
N23C22N21127.6°121.9°
N23C22H13116.2°119.0°
C27C28N31123.3°120.0°
C27C28C29118.2°120.0°
C28C27H16119.6°120.0°
C37C38N31110.1°109.4°
C38C37N34107.3°109.3°
C38C37H29110.2°109.5°
C38C37H30110.2°109.5°
C37C38H31109.3°109.5°
C37C38H32109.2°109.5°
C38N31C28112.3°111.0°
C38N31C32118.1°110.9°
N31C38H31109.2°109.5°
N31C38H32109.2°109.5°
C37N34C35113.1°111.0°
C37N34C33114.0°110.9°
N34C37H29110.2°109.5°
N34C37H30110.2°109.5°
N24C20N21117.1°120.4°
C20N24C25128.8°120.0°
C20N24H14115.6°120.0°
C20N21C22115.9°120.8°
N21C22H13116.2°119.0°
N24C25C30118.9°120.0°
C25N24H14115.6°120.0°
C25C30C29120.7°120.0°
C25C30H18119.7°120.0°
C35N34C33112.7°111.0°
N34C35C36107.5°109.5°
N34C35H24110.1°109.4°
N34C35H25110.1°109.5°
N34C33C32106.4°109.4°
N34C33H21110.5°109.5°
N34C33H22110.5°109.5°
C36C35H24110.1°109.5°
C36C35H25110.1°109.5°
C35C36H26109.5°109.5°
C35C36H27109.4°109.5°
C35C36H28109.5°109.5°
N31C28C29118.5°119.9°
C28N31C32111.3°111.0°
C28C29C30121.0°120.0°
C28C29H17119.5°120.1°
N31C32C33109.1°109.3°
N31C32H19109.6°109.5°
N31C32H20109.6°109.5°
C33C32H19109.6°109.5°
C33C32H20109.6°109.5°
C32C33H21110.5°109.5°
C32C33H22110.5°109.5°
C30C29H17119.5°119.9°
C29C30H18119.6°120.0°
H2C9H3109.4°109.5°
H2C9H4109.5°109.5°
H3C9H4109.4°109.5°
H6C13H7109.5°109.4°
H6C13H8109.4°109.5°
H7C13H8109.5°109.5°
H9C17H10109.5°109.5°
H9C17H11109.5°109.5°
H10C17H11109.5°109.4°
H19C32H20109.3°109.5°
H21C33H22108.4°109.5°
H24C35H25108.8°109.4°
H26C36H27109.5°109.5°
H26C36H28109.4°109.4°
H27C36H28109.5°109.4°
H29C37H30108.7°109.5°
H31C38H32109.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13O12C11C103.3°0.0°
C13O12C11C14175.4°179.7°
O12C13H6H7120.0°120.0°
O12C13H6H8120.0°120.0°
O12C13H7H8120.0°120.1°
O12C11C10C14178.7°179.7°
O12C11C14CL21.1°0.2°
O12C11C10C7179.8°180.0°
O12C11C14C4179.8°179.7°
O12C11C10H50.2°0.0°
C11O12C13H6180.0°180.0°
C11O12C13H760.0°60.1°
C11O12C13H860.0°60.0°
C10C11C14CL2179.9°180.0°
C11C10C7H5180.0°180.0°
C10C11C14C41.0°0.6°
C11C10C7O8180.0°179.9°
C11C10C7C51.5°0.0°
C11C14CL2C4179.1°179.5°
C14C11C10C71.5°0.3°
C11C14C4C50.5°0.6°
C11C14C4N3179.6°179.7°
C14C11C10H5178.5°179.8°
CL2C14C4C5179.6°180.0°
CL2C14C4N31.3°0.3°
C10C7O8C93.8°0.1°
C10C7O8C5178.5°179.9°
C10C7C5C41.0°0.0°
C10C7C5CL1179.9°180.0°
C14C4C5C70.5°0.3°
C14C4C5N3179.0°179.7°
C14C4C5CL1179.6°179.7°
C14C4N3C2100.3°42.7°
C14C4N3H179.7°137.3°
C9O8C7C5174.7°180.0°
O8C9H2H3120.0°120.0°
O8C9H2H4120.0°120.0°
O8C9H3H4120.0°120.0°
O8C7C5C4179.6°179.9°
O8C7C5CL11.4°0.0°
C7O8C9H2180.0°60.0°
C7O8C9H360.0°180.0°
C7O8C9H460.0°60.1°
O8C7C10H50.0°0.1°
C7C5C4CL1179.0°180.0°
C7C5C4N3179.5°180.0°
C5C7C10H5178.5°180.0°
O1C2N3C42.3°2.8°
O1C2N3N16179.2°179.8°
O1C2N16C170.4°175.1°
O1C2N16C18177.7°4.8°
O1C2N3H1177.7°177.2°
C5C4N3C278.7°137.5°
C5C4N3H1101.3°42.4°
N3C4C5CL11.4°0.0°
C4N3C2H1180.0°179.9°
C4N3C2N16178.6°177.4°
N3C2N16C17179.5°4.7°
N3C2N16C183.1°175.4°
C2N16C17C18177.5°179.9°
C2N16C18C19160.9°94.9°
C2N16C18N2318.2°84.8°
N16C2N3H11.4°2.6°
C2N16C17H9180.0°89.9°
C2N16C17H1060.0°150.0°
C2N16C17H1160.0°30.1°
C17N16C18C1916.5°85.0°
C17N16C18N23164.5°95.3°
N16C17H9H10120.0°120.0°
N16C17H9H11120.0°120.0°
N16C17H10H11120.0°120.0°
N16C18C19N23179.0°179.7°
N16C18C19C20179.6°180.0°
N16C18N23C22178.9°179.7°
C18N16C17H92.5°90.0°
C18N16C17H10117.6°30.1°
C18N16C17H11122.5°150.0°
N16C18C19H120.4°0.0°
C18C19C20H12180.0°180.0°
C19C18N23C220.1°0.6°
C18C19C20N24179.5°180.0°
C18C19C20N211.0°0.0°
N23C18C19C200.6°0.3°
C18N23C22N210.4°0.6°
N23C18C19H12179.4°179.7°
C18N23C22H13179.6°179.7°
C27C26C25H15180.0°180.0°
C26C27C28H16180.0°180.0°
C27C26C25N24178.8°180.0°
C27C26C25C301.3°0.3°
C26C27C28N31179.8°180.0°
C26C27C28C290.1°0.0°
C25C26C27C280.8°0.0°
C26C25N24C2063.7°33.3°
C26C25N24C30177.4°179.7°
C26C25C30C291.0°0.5°
C26C25N24H14116.3°146.8°
C25C26C27H16179.2°180.0°
C26C25C30H18179.0°179.7°
C19C20N24N21178.5°180.0°
C19C20N21C220.7°0.0°
C19C20N24C2520.7°174.1°
C19C20N24H14159.3°5.9°
N23C22N21C200.0°0.3°
N23C22N21H13180.0°179.7°
C27C28N31C385.2°56.2°
C27C28N31C29179.7°179.9°
C27C28N31C32129.7°180.0°
C27C28C29C300.4°0.3°
C28C27C26H15179.2°180.0°
C27C28C29H17179.6°180.0°
C37C38N31H31120.0°120.0°
C37C38N31H32120.0°120.0°
C38C37N34H29120.0°119.9°
C38C37N34H30120.0°120.0°
C38C37N34C35168.1°176.8°
C38C37N34C3361.5°59.3°
C37C38N31C28176.4°176.8°
C37C38N31C3252.0°59.3°
C38C37H29H30120.9°120.1°
C37C38H31H32119.7°120.0°
N31C38C37N3451.0°58.4°
C38N31C28C32134.9°123.8°
C38N31C28C29175.0°123.8°
C38N31C32C3354.2°59.3°
C38N31C32H19174.2°179.3°
C38N31C32H2065.8°60.6°
N31C38C37H29171.0°61.5°
N31C38C37H3069.0°178.4°
N31C38H31H32119.7°120.0°
C37N34C35C33131.1°123.8°
C37N34C35C36159.1°66.2°
C37N34C33C3263.7°59.4°
C37N34C33H21176.3°60.7°
C37N34C33H2256.3°179.3°
C37N34C35H2439.1°53.8°
C37N34C35H2580.9°173.8°
N34C37H29H30120.9°120.1°
N34C37C38H31171.0°61.6°
N34C37C38H3268.9°178.4°
N24C20N21C22179.2°180.0°
C20N24C25H14180.0°179.9°
C20N24C25C30118.9°147.1°
N24C20C19H120.5°0.0°
N21C20N24C25160.8°5.9°
N21C20C19H12179.0°180.0°
C20N21C22H13180.0°180.0°
N21C20N24H1419.2°174.1°
N24C25C30C29178.5°179.8°
N24C25C26H151.2°0.1°
N24C25C30H181.5°0.0°
C25C30C29C280.1°0.5°
C25C30C29H18180.0°179.7°
C30C25N24H1461.1°32.9°
C30C25C26H15178.7°179.7°
C25C30C29H17179.9°179.7°
N34C35C36H24120.0°120.0°
N34C35C36H25120.0°120.0°
C35N34C33C32165.6°176.8°
C35N34C33H2145.6°63.2°
C35N34C33H2274.4°56.8°
N34C35H24H25120.8°120.0°
N34C35C36H26180.0°180.0°
N34C35C36H2760.0°60.0°
N34C35C36H2860.0°60.0°
C35N34C37H2948.1°63.2°
C35N34C37H3071.9°56.9°
C33N34C35C3669.8°170.0°
N34C33C32N3155.4°58.4°
N34C33C32H21120.0°120.0°
N34C33C32H22120.0°119.9°
N34C33C32H19175.4°178.4°
N34C33C32H2064.6°61.5°
N34C33H21H22121.3°120.0°
C33N34C35H24170.2°70.0°
C33N34C35H2550.2°50.0°
C33N34C37H29178.5°60.6°
C33N34C37H3058.5°179.3°
C36C35H24H25120.8°120.0°
C35C36H26H27120.0°120.0°
C35C36H26H28120.0°120.0°
C35C36H27H28120.0°120.0°
C28N31C32C33173.7°176.8°
N31C28C29C30179.9°179.8°
N31C28C27H160.2°0.0°
N31C28C29H170.2°0.0°
C28N31C32H1953.8°56.9°
C28N31C32H2066.2°63.2°
C28N31C38H3156.4°63.2°
C28N31C38H3263.6°56.8°
C29C28N31C3250.0°0.0°
C28C29C30H17180.0°179.8°
C29C28C27H16179.9°180.0°
C28C29C30H18179.9°179.7°
N31C32C33H19120.0°119.9°
N31C32C33H20120.0°120.0°
N31C32H19H20120.2°120.1°
N31C32C33H21175.4°61.6°
N31C32C33H2264.6°178.4°
C32N31C38H31172.0°60.7°
C32N31C38H3268.0°179.3°
C33C32H19H20120.2°120.1°
C32C33H21H22121.3°120.0°
H2C9H3H4120.0°120.1°
H6C13H7H8119.9°120.0°
H9C17H10H11120.0°120.0°
H15C26C27H160.8°0.0°
H17C29C30H180.1°0.0°
H19C32C33H2164.6°58.4°
H19C32C33H2255.4°61.7°
H20C32C33H2155.3°178.5°
H20C32C33H22175.4°58.4°
H24C35C36H2660.0°60.0°
H24C35C36H27180.0°179.9°
H24C35C36H2860.0°60.0°
H25C35C36H2660.0°60.0°
H25C35C36H2760.0°60.1°
H25C35C36H28180.0°180.0°
H26C36H27H28120.0°120.0°
H29C37C38H3169.0°178.5°
H29C37C38H3251.1°58.5°
H30C37C38H3151.0°58.4°
H30C37C38H32171.1°61.6°

221371

PDB entries from 2024-06-19

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