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KIS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N3sing1.36Å1.36ÅAromatic
C1C4doub1.36Å1.35ÅAromatic
C1C7sing1.47Å1.43Å
N2C4sing1.36Å1.40ÅAromatic
N2C5sing1.36Å1.40ÅAromatic
N2C6sing1.40Å1.44Å
N3C5doub1.30Å1.32ÅAromatic
C4C15sing1.51Å1.50Å
C6C8doub1.39Å1.41ÅAromatic
C6C16sing1.39Å1.43ÅAromatic
C7O12doub1.22Å1.25Å
C7O14sing1.35Å1.32Å
C8C10sing1.39Å1.43ÅAromatic
C10C17doub1.39Å1.41ÅAromatic
C10O35sing1.36Å1.40Å
O14C21sing1.45Å1.41Å
C16C20doub1.38Å1.45ÅAromatic
C17C20sing1.38Å1.41ÅAromatic
C21C22sing1.53Å1.53Å
C30N32sing1.36Å1.38ÅAromatic
C30C33doub1.37Å1.37ÅAromatic
C30C36sing1.47Å1.39Å
N31C33sing1.36Å1.41ÅAromatic
N31C34sing1.36Å1.45ÅAromatic
N31C35sing1.40Å1.40Å
N32C34doub1.30Å1.37ÅAromatic
C33C41sing1.51Å1.51Å
C35C37doub1.39Å1.40ÅAromatic
C35C42sing1.39Å1.40ÅAromatic
C36O39doub1.22Å1.20Å
C36O40sing1.35Å1.32Å
C37C38sing1.38Å1.40ÅAromatic
C38C43doub1.38Å1.39ÅAromatic
O40C45sing1.45Å1.43Å
C42C44doub1.39Å1.40ÅAromatic
C43C44sing1.39Å1.41ÅAromatic
C44O35sing1.36Å1.40Å
C45C46sing1.53Å1.57Å
C5H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C17H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
C21H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C22H12sing1.09Å1.10Å
C16H13sing1.08Å1.08Å
C34H14sing1.08Å1.08Å
C37H15sing1.08Å1.08Å
C38H16sing1.08Å1.08Å
C41H17sing1.09Å1.10Å
C41H18sing1.09Å1.10Å
C41H19sing1.09Å1.10Å
C42H20sing1.08Å1.08Å
C43H21sing1.08Å1.08Å
C45H22sing1.09Å1.10Å
C45H23sing1.09Å1.10Å
C46H24sing1.09Å1.10Å
C46H25sing1.09Å1.10Å
C46H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N3C1C4113.8°107.6°
N3C1C7124.6°126.2°
C1N3C5105.8°109.1°
C4C1C7121.4°126.2°
C1C4N2102.6°106.8°
C1C4C15131.1°126.6°
C1C7O12125.1°120.0°
C1C7O14113.5°120.0°
C4N2C5108.6°107.6°
C4N2C6129.3°126.3°
N2C4C15126.3°126.6°
C5N2C6122.1°126.2°
N2C5N3109.1°109.0°
N2C5H1125.5°125.5°
N2C6C8118.6°120.0°
N2C6C16118.1°120.0°
N3C5H1125.5°125.5°
C4C15H3109.5°109.5°
C4C15H4109.5°109.4°
C4C15H5109.5°109.4°
C8C6C16123.2°119.9°
C6C8C10116.3°119.9°
C6C8H2121.9°120.1°
C6C16C20117.4°120.0°
C6C16H13121.3°120.0°
O12C7O14121.2°119.9°
C7O14C21111.7°117.0°
C8C10C17123.5°119.9°
C8C10O35119.3°120.1°
C10C8H2121.8°120.0°
C17C10O35117.1°120.0°
C10C17C20118.5°120.1°
C10C17H6120.7°120.0°
C10O35C44124.3°118.0°
O14C21C22105.6°109.4°
O14C21H8110.4°109.5°
O14C21H9110.4°109.5°
C16C20C17121.1°120.1°
C16C20H7119.5°119.9°
C20C16H13121.3°120.0°
C20C17H6120.8°119.9°
C17C20H7119.4°119.9°
C22C21H8110.4°109.5°
C22C21H9110.4°109.5°
C21C22H10109.5°109.4°
C21C22H11109.5°109.5°
C21C22H12109.5°109.5°
N32C30C33118.1°107.5°
N32C30C36118.2°126.2°
C30N32C34102.2°109.1°
C33C30C36123.7°126.3°
C30C33N31101.4°106.8°
C30C33C41135.3°126.6°
C30C36O39125.3°120.0°
C30C36O40117.5°120.1°
C33N31C34108.7°107.6°
C33N31C35126.1°126.2°
N31C33C41123.3°126.6°
C34N31C35125.1°126.2°
N31C34N32109.6°109.0°
N31C34H14125.2°125.4°
N31C35C37119.2°120.0°
N31C35C42117.2°120.0°
N32C34H14125.2°125.5°
C33C41H17109.5°109.5°
C33C41H18109.4°109.4°
C33C41H19109.5°109.5°
C37C35C42123.5°119.9°
C35C37C38119.1°120.1°
C35C37H15120.5°120.0°
C35C42C44115.1°119.9°
C35C42H20122.5°120.0°
O39C36O40117.3°120.0°
C36O40C45110.5°117.0°
C37C38C43120.5°120.1°
C38C37H15120.5°119.9°
C37C38H16119.7°120.0°
C38C43C44117.8°120.1°
C43C38H16119.7°120.0°
C38C43H21121.1°119.9°
O40C45C46110.6°109.5°
O40C45H22109.2°109.5°
O40C45H23109.2°109.5°
C42C44C43123.9°120.0°
C42C44O35118.1°120.0°
C44C42H20122.5°120.1°
C43C44O35117.9°120.0°
C44C43H21121.1°120.0°
C46C45H22109.2°109.5°
C46C45H23109.2°109.5°
C45C46H24109.5°109.5°
C45C46H25109.5°109.5°
C45C46H26109.4°109.5°
H3C15H4109.4°109.5°
H3C15H5109.5°109.5°
H4C15H5109.5°109.5°
H8C21H9109.5°109.5°
H10C22H11109.4°109.5°
H10C22H12109.5°109.5°
H11C22H12109.5°109.5°
H17C41H18109.5°109.5°
H17C41H19109.4°109.5°
H18C41H19109.5°109.5°
H22C45H23109.5°109.5°
H24C46H25109.5°109.5°
H24C46H26109.5°109.5°
H25C46H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3C1C4C7176.1°180.0°
N3C1C4N23.0°0.0°
C1N3C5N21.2°0.0°
N3C1C4C15178.3°179.9°
N3C1C7O12171.1°179.9°
N3C1C7O144.2°0.0°
C1N3C5H1178.8°180.0°
C1C4N2C15178.8°180.0°
C1C4N2C53.6°0.0°
C1C4N2C6174.2°179.9°
C4C1N3C51.2°0.0°
C4C1C7O124.6°0.0°
C4C1C7O14179.9°180.0°
C1C4C15H390.9°90.0°
C1C4C15H4149.1°150.0°
C1C4C15H529.1°30.0°
C7C1C4N2179.1°180.0°
C7C1N3C5177.2°180.0°
C7C1C4C152.2°0.0°
C1C7O12O14175.0°180.0°
C1C7O14C21179.5°180.0°
C4N2C5C6178.0°179.9°
C4N2C5N33.1°0.0°
C4N2C6C852.7°130.0°
C4N2C6C16130.3°49.7°
C4N2C5H1176.9°180.0°
N2C4C15H390.7°90.0°
N2C4C15H429.3°30.0°
N2C4C15H5149.3°149.9°
N2C5N3H1180.0°180.0°
C5N2C4C15177.7°180.0°
C5N2C6C8124.8°50.1°
C5N2C6C1652.2°130.2°
C6N2C5N3174.8°179.9°
C6N2C4C154.6°0.0°
N2C6C8C16176.9°179.7°
N2C6C8C10177.5°179.7°
N2C6C16C20176.2°179.7°
C6N2C5H15.2°0.1°
N2C6C8H22.6°0.3°
N2C6C16H133.8°0.3°
C4C15H3H4120.0°120.0°
C4C15H3H5120.0°120.0°
C4C15H4H5120.0°119.9°
C6C8C10H2180.0°180.0°
C6C8C10C170.6°0.0°
C6C8C10O35176.8°180.0°
C8C6C16C200.7°0.0°
C8C6C16H13179.3°180.0°
C16C6C8C100.6°0.0°
C6C16C20H13180.0°180.0°
C6C16C20C172.0°0.0°
C16C6C8H2179.5°180.0°
C6C16C20H7178.1°180.0°
O12C7O14C214.9°0.0°
C7O14C21C22128.2°180.0°
C7O14C21H88.8°60.0°
C7O14C21H9112.5°60.0°
C8C10C17O35176.3°180.0°
C8C10C17C200.6°0.0°
C8C10O35C4460.6°179.5°
C8C10C17H6179.4°180.0°
C10C17C20C162.0°0.1°
C10C17C20H6180.0°179.9°
C17C10O35C44122.9°0.5°
C17C10C8H2179.4°180.0°
C10C17C20H7178.1°180.0°
O35C10C17C20175.6°179.9°
C10O35C44C4214.2°90.0°
C10O35C44C43166.2°90.1°
O35C10C8H23.2°0.1°
O35C10C17H64.4°0.0°
O14C21C22H8119.4°120.0°
O14C21C22H9119.4°120.0°
O14C21H8H9121.8°120.0°
O14C21C22H10180.0°180.0°
O14C21C22H1160.0°60.0°
O14C21C22H1260.0°60.0°
C16C20C17H7180.0°180.0°
C16C20C17H6178.0°180.0°
C17C20C16H13178.0°180.0°
C22C21H8H9121.8°120.0°
C21C22H10H11120.0°120.0°
C21C22H10H12120.0°120.0°
C21C22H11H12120.0°120.0°
N32C30C33C36177.8°179.8°
N32C30C33N310.6°0.0°
C30N32C34N312.3°0.0°
N32C30C33C41178.8°180.0°
N32C30C36O39171.7°180.0°
N32C30C36O409.4°0.0°
C30N32C34H14177.6°179.9°
C30C33N31C41179.5°180.0°
C30C33N31C340.9°0.0°
C30C33N31C35177.2°180.0°
C33C30N32C341.9°0.0°
C33C30C36O3910.5°0.3°
C33C30C36O40168.5°179.7°
C30C33C41H1790.4°90.1°
C30C33C41H18149.5°149.9°
C30C33C41H1929.6°29.9°
C36C30C33N31178.5°179.7°
C36C30N32C34179.9°179.8°
C36C30C33C410.9°0.2°
C30C36O39O40179.0°180.0°
C30C36O40C45176.3°180.0°
C33N31C34C35176.3°180.0°
C33N31C34N322.2°0.0°
C33N31C35C3766.1°50.1°
C33N31C35C42115.6°129.7°
C33N31C34H14177.8°179.9°
N31C33C41H1790.3°90.0°
N31C33C41H1829.7°30.0°
N31C33C41H19149.7°150.0°
N31C34N32H14180.0°179.9°
C34N31C33C41179.6°180.0°
C34N31C35C37118.2°129.9°
C34N31C35C4260.2°50.3°
C35N31C34N32178.5°180.0°
C35N31C33C413.3°0.0°
N31C35C37C42178.2°179.8°
N31C35C37C38177.0°180.0°
N31C35C42C44176.6°180.0°
C35N31C34H141.4°0.1°
N31C35C37H153.0°0.0°
N31C35C42H203.4°0.0°
C33C41H17H18120.0°120.0°
C33C41H17H19120.0°120.0°
C33C41H18H19120.0°120.0°
C35C37C38H15180.0°180.0°
C35C37C38C430.4°0.1°
C37C35C42C441.7°0.2°
C35C37C38H16179.7°180.0°
C37C35C42H20178.3°179.7°
C42C35C37C381.2°0.2°
C35C42C44H20180.0°180.0°
C35C42C44C430.6°0.0°
C35C42C44O35179.9°180.0°
C42C35C37H15178.8°179.8°
O39C36O40C454.6°0.0°
C36O40C45C46137.8°180.0°
C36O40C45H2217.6°60.0°
C36O40C45H23102.0°60.0°
C37C38C43H16180.0°179.9°
C37C38C43C441.3°0.3°
C37C38C43H21178.7°179.9°
C38C43C44C420.8°0.2°
C38C43C44H21180.0°179.8°
C38C43C44O35178.7°179.7°
C43C38C37H15179.6°180.0°
O40C45C46H22120.2°120.1°
O40C45C46H23120.2°120.0°
O40C45H22H23119.5°120.0°
O40C45C46H24180.0°60.0°
O40C45C46H2560.0°60.0°
O40C45C46H2660.0°180.0°
C42C44C43O35179.5°179.9°
C42C44C43H21179.2°180.0°
C44C43C38H16178.7°179.8°
C43C44C42H20179.4°179.9°
O35C44C42H200.1°0.0°
O35C44C43H211.3°0.1°
C46C45H22H23119.5°120.0°
C45C46H24H25120.0°120.0°
C45C46H24H26120.0°120.0°
C45C46H25H26120.0°120.0°
H3C15H4H5120.0°120.1°
H6C17C20H71.9°0.0°
H7C20C16H131.9°0.0°
H8C21C22H1060.7°60.0°
H8C21C22H11179.4°60.0°
H8C21C22H1259.4°180.0°
H9C21C22H1060.6°60.0°
H9C21C22H1159.4°180.0°
H9C21C22H12179.4°60.0°
H10C22H11H12120.0°120.0°
H15C37C38H160.4°0.1°
H16C38C43H211.3°0.0°
H17C41H18H19120.0°120.0°
H22C45C46H2459.8°179.9°
H22C45C46H25179.8°60.0°
H22C45C46H2660.2°60.0°
H23C45C46H2459.8°60.0°
H23C45C46H2560.2°180.0°
H23C45C46H26179.8°60.0°
H24C46H25H26120.0°120.0°

223532

PDB entries from 2024-08-07

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