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I7N

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O5C20sing1.34Å1.32Å
O8C22doub1.21Å1.22Å
C20O6doub1.21Å1.22Å
C20C19sing1.51Å1.53Å
C19C21sing1.53Å1.54Å
C19N1sing1.47Å1.46Å
C22C21sing1.51Å1.52Å
C22O7sing1.34Å1.31Å
N1C18sing1.35Å1.34Å
C18O9doub1.21Å1.23Å
C18C17sing1.51Å1.52Å
C17C16sing1.53Å1.53Å
C17C23sing1.53Å1.53Å
C16C15sing1.53Å1.53Å
C23Nsing1.47Å1.48Å
O1C1sing1.36Å1.37Å
O2C2sing1.36Å1.36Å
C15C14sing1.53Å1.52Å
NC14sing1.47Å1.48Å
NSsing1.66Å1.63Å
OSdoub1.42Å1.43Å
C1C2doub1.40Å1.41ÅAromatic
C1Csing1.38Å1.41ÅAromatic
C2C5sing1.39Å1.42ÅAromatic
O4C6doub1.22Å1.23Å
SCsing1.76Å1.78Å
SO10doub1.42Å1.43Å
CC3doub1.38Å1.39ÅAromatic
C5C6sing1.48Å1.49Å
C5C4doub1.41Å1.41ÅAromatic
C6C7sing1.48Å1.48Å
C3C4sing1.39Å1.39ÅAromatic
C4C13sing1.48Å1.48Å
C7C8doub1.39Å1.39ÅAromatic
C7C12sing1.41Å1.40ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C13C12sing1.48Å1.48Å
C13O3doub1.22Å1.23Å
C12C11doub1.39Å1.40ÅAromatic
C9C10doub1.38Å1.38ÅAromatic
C11C10sing1.38Å1.38ÅAromatic
C3H3sing1.08Å1.08Å
C21H18sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
N1H15sing0.97Å1.00Å
C19Hsing1.09Å1.10Å
O7H19sing0.97Å0.95Å
O5H16sing0.97Å0.95Å
C16H13sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C11H7sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C9H5sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
O2H2sing0.97Å0.95Å
O1H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O5C20O6123.3°120.0°
O5C20C19114.4°120.0°
C20O5H16109.5°117.0°
O8C22C21123.8°120.0°
O8C22O7123.1°120.0°
O6C20C19122.3°120.0°
C20C19C21110.4°109.5°
C20C19N1112.8°109.5°
C20C19H107.2°109.5°
C21C19N1111.2°109.5°
C19C21C22116.1°109.5°
C19C21H18107.8°109.5°
C19C21H17107.8°109.4°
C21C19H107.0°109.5°
C19N1C18124.4°120.0°
C19N1H15117.8°120.0°
N1C19H108.0°109.5°
C21C22O7113.2°120.0°
C22C21H18107.8°109.5°
C22C21H17107.8°109.5°
C22O7H19109.5°117.0°
N1C18O9122.9°120.0°
N1C18C17115.3°120.0°
C18N1H15117.8°120.0°
O9C18C17121.7°120.0°
C18C17C16110.7°109.5°
C18C17C23115.2°109.4°
C18C17H14107.3°109.5°
C16C17C23109.0°109.3°
C17C16C15111.3°109.5°
C16C17H14107.2°109.5°
C17C16H13109.0°109.4°
C17C16H12109.0°109.4°
C17C23N110.2°108.7°
C17C23H20109.3°109.6°
C17C23H21109.3°109.7°
C23C17H14107.1°109.5°
C16C15C14110.7°109.3°
C15C16H13109.0°109.5°
C15C16H12109.0°109.5°
C16C15H11109.2°109.5°
C16C15H10109.2°109.5°
C23NC14113.4°118.8°
C23NS116.6°120.7°
NC23H20109.3°109.6°
NC23H21109.3°109.6°
O1C1C2119.0°119.8°
O1C1C122.2°119.9°
C1O1H1109.5°113.9°
O2C2C1118.0°120.2°
O2C2C5121.3°120.2°
C2O2H2109.5°113.9°
C15C14N111.2°108.8°
C14C15H11109.2°109.5°
C14C15H10109.2°109.5°
C15C14H9109.0°109.4°
C15C14H8109.0°109.8°
C14NS115.0°120.6°
NC14H9109.0°109.6°
NC14H8109.0°109.6°
NSO106.8°106.4°
NSC108.4°107.2°
NSO10106.6°106.4°
OSC107.7°106.4°
OSO10119.9°123.2°
C2C1C118.7°120.3°
C1C2C5120.7°119.6°
C1CS121.8°119.7°
C1CC3120.5°120.6°
C2C5C6120.8°120.6°
C2C5C4119.0°119.7°
O4C6C5121.4°120.4°
O4C6C7120.0°120.4°
CSO10107.1°106.4°
SCC3117.6°119.7°
CC3C4121.3°120.1°
CC3H3119.4°120.0°
C6C5C4120.2°119.7°
C5C6C7118.6°119.2°
C5C4C3119.8°119.8°
C5C4C13121.1°119.6°
C6C7C8119.3°120.6°
C6C7C12120.9°119.6°
C3C4C13119.0°120.6°
C4C3H3119.3°120.0°
C4C13C12118.1°119.2°
C4C13O3120.9°120.3°
C8C7C12119.7°119.7°
C7C8C9120.0°119.8°
C7C8H4120.0°120.1°
C7C12C13121.0°119.7°
C7C12C11119.4°119.7°
C8C9C10120.4°120.5°
C8C9H5119.8°119.8°
C9C8H4120.0°120.1°
C12C13O3121.0°120.4°
C13C12C11119.5°120.6°
C12C11C10119.9°119.8°
C12C11H7120.0°120.0°
C9C10C11120.5°120.5°
C9C10H6119.7°119.8°
C10C9H5119.8°119.8°
C10C11H7120.0°120.1°
C11C10H6119.7°119.7°
H18C21H17109.5°109.5°
H20C23H21109.5°109.6°
H13C16H12109.5°109.5°
H11C15H10109.4°109.5°
H9C14H8109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O5C20O6C19178.5°180.0°
O5C20C19C2196.0°60.0°
O5C20C19N1138.9°180.0°
O5C20C19H20.1°60.0°
O8C22C21C1919.9°0.0°
O8C22C21O7179.1°180.0°
O8C22C21H18140.9°120.0°
O8C22C21H17101.1°120.0°
O8C22O7H190.0°0.1°
O6C20C19C2182.6°120.0°
O6C20C19N142.5°0.0°
O6C20C19H161.3°120.0°
O6C20O5H160.0°0.0°
C20C19C21N1126.0°120.0°
C20C19C21H116.3°120.0°
C20C19N1H118.3°120.0°
C20C19C21C22114.0°175.0°
C20C19N1C1866.1°85.0°
C20C19C21H18125.0°65.0°
C20C19C21H177.0°55.0°
C20C19N1H15113.9°95.1°
C19C20O5H16178.6°180.0°
C21C19N1H117.1°120.0°
C19C21C22H18121.0°120.0°
C19C21C22H17121.0°120.0°
C19C21C22O7161.0°180.0°
C21C19N1C1858.5°155.0°
C19C21H18H17117.0°120.0°
C21C19N1H15121.5°25.0°
N1C19C21C22120.0°65.0°
C19N1C18H15180.0°179.9°
C19N1C18O915.5°0.1°
C19N1C18C17162.1°180.0°
N1C19C21H181.0°55.0°
N1C19C21H17119.0°175.0°
C22C21H18H17117.0°120.0°
C22C21C19H2.3°55.0°
C21C22O7H19179.1°180.0°
O7C22C21H1840.1°60.0°
O7C22C21H1778.0°60.0°
N1C18O9C17177.4°179.9°
N1C18C17C1681.0°60.0°
N1C18C17C23154.9°179.8°
N1C18C17H1435.7°60.1°
C18N1C19H175.6°35.0°
O9C18C17C1696.7°119.9°
O9C18C17C2327.5°0.1°
O9C18C17H14146.7°120.0°
O9C18N1H15164.5°180.0°
C18C17C16C23127.7°119.9°
C18C17C16H14116.7°120.1°
C18C17C23H14119.3°120.0°
C18C17C16C1571.0°178.7°
C18C17C23N67.8°174.6°
C18C17C23H20172.1°54.9°
C18C17C23H2152.3°65.6°
C17C18N1H1517.9°0.1°
C18C17C16H1349.2°61.3°
C18C17C16H12168.7°58.6°
C16C17C23H14115.6°120.0°
C17C16C15H13120.3°120.0°
C17C16C15H12120.3°120.0°
C16C17C23N57.2°54.6°
C17C16C15C1455.1°61.4°
C16C17C23H2062.9°65.1°
C16C17C23H21177.3°174.5°
C17C16H13H12119.2°119.9°
C17C16C15H1165.2°178.7°
C17C16C15H10175.3°58.6°
C23C17C16C1556.6°61.4°
C17C23NH20120.1°119.8°
C17C23NH21120.1°119.9°
C17C23NC1458.2°53.6°
C17C23NS164.8°126.1°
C17C23H20H21119.7°120.5°
C23C17C16H13176.9°58.6°
C23C17C16H1263.7°178.6°
C16C15C14H11120.2°120.0°
C16C15C14H10120.2°120.0°
C16C15C14N53.4°54.6°
C15C16C17H14172.2°58.6°
C15C16H13H12119.2°120.0°
C16C15H11H10119.4°120.1°
C16C15C14H9173.7°174.3°
C16C15C14H866.8°65.3°
C23NC14C1556.2°53.6°
C23NC14S137.7°179.7°
C23NSO27.5°156.7°
C23NSC143.3°89.7°
C23NSO10101.7°23.8°
NC23H20H21119.7°120.3°
NC23C17H14172.8°65.4°
C23NC14H9176.4°173.1°
C23NC14H864.1°66.5°
O1C1C2O23.8°0.3°
O1C1C2C178.9°179.7°
O1C1C2C5177.8°179.7°
O1C1CS4.2°0.3°
O1C1CC3179.4°179.7°
O2C2C1C5178.5°179.9°
O2C2C1C177.4°180.0°
O2C2C5C65.9°0.0°
O2C2C5C4176.5°179.9°
C15C14NH9120.3°119.5°
C15C14NH8120.3°120.1°
C15C14NS166.1°126.1°
C14C15C16H13175.3°58.6°
C14C15C16H1265.2°178.7°
C14C15H11H10119.4°120.1°
C15C14H9H8119.2°120.4°
C14NSO163.9°23.6°
C14NSC80.4°90.0°
C14NSO1034.6°156.5°
C14NC23H2061.9°66.2°
C14NC23H21178.3°173.5°
NC14C15H1166.8°174.6°
NC14C15H10173.7°65.3°
NC14H9H8119.2°120.4°
NSOC116.2°114.1°
NSOO10121.1°122.9°
NSCC1102.8°65.1°
NSCO10114.6°113.5°
NSCC380.8°115.0°
SNC23H2075.1°114.1°
SNC23H2144.7°6.2°
SNC14H945.9°6.6°
SNC14H873.6°113.8°
OSCC112.4°48.5°
OSCO10130.2°133.0°
OSCC3164.1°131.5°
C2C1CS176.9°180.0°
C2C1CC30.6°0.0°
C1C2C5C6175.7°179.9°
C1C2C5C41.9°0.0°
C1C2O2H2177.6°90.0°
C2C1O1H1170.6°90.0°
CC1C2C51.1°0.0°
C1CSC3176.5°179.9°
C1CSO10142.6°178.6°
C1CC3C41.4°0.0°
C1CC3H3178.6°180.0°
CC1O1H110.6°90.3°
C2C5C6O43.4°13.8°
C2C5C6C4177.6°179.9°
C2C5C6C7176.9°166.2°
C2C5C4C31.1°0.0°
C2C5C4C13178.7°180.0°
C5C2O2H24.0°90.0°
O4C6C5C7179.7°180.0°
O4C6C5C4179.0°166.2°
O4C6C7C84.3°13.8°
O4C6C7C12177.9°166.2°
SCC3C4177.9°179.9°
SCC3H32.1°0.1°
O10SCC333.9°1.5°
CC3C4C50.6°0.0°
CC3C4H3180.0°180.0°
CC3C4C13177.1°180.0°
C6C5C4C3176.6°179.9°
C6C5C4C131.1°0.0°
C5C6C7C8175.9°166.2°
C5C6C7C121.9°13.8°
C4C5C6C70.7°13.8°
C5C4C3C13177.7°180.0°
C5C4C13C121.8°13.8°
C5C4C13O3178.0°166.2°
C5C4C3H3179.4°180.0°
C6C7C8C12177.8°180.0°
C6C7C8C9178.0°180.0°
C6C7C12C131.2°0.1°
C6C7C12C11178.8°180.0°
C6C7C8H42.0°0.0°
C3C4C13C12175.9°166.2°
C3C4C13O34.3°13.8°
C4C13C12C70.6°13.7°
C4C13C12O3179.8°180.0°
C4C13C12C11177.0°166.2°
C13C4C3H32.9°0.0°
C7C8C9H4180.0°179.9°
C8C7C12C13176.6°179.9°
C8C7C12C111.0°0.1°
C7C8C9C100.7°0.0°
C7C8C9H5179.3°180.0°
C12C7C8C90.2°0.0°
C7C12C13C11177.6°179.9°
C7C12C13O3179.2°166.3°
C7C12C11C101.0°0.0°
C7C12C11H7179.0°180.0°
C12C7C8H4179.8°179.9°
C8C9C10H5180.0°179.9°
C8C9C10C110.8°0.1°
C8C9C10H6179.2°180.0°
C13C12C11C10176.7°179.9°
C13C12C11H73.3°0.1°
O3C13C12C113.2°13.9°
C12C11C10C90.0°0.0°
C12C11C10H7180.0°180.0°
C12C11C10H6179.9°180.0°
C9C10C11H6180.0°180.0°
C9C10C11H7179.9°179.9°
C10C9C8H4179.3°180.0°
C11C10C9H5179.2°180.0°
H18C21C19H118.7°175.0°
H17C21C19H123.3°65.0°
H20C23C17H1452.8°174.9°
H21C23C17H1467.0°54.4°
H14C17C16H1367.5°178.6°
H14C17C16H1251.9°61.4°
H15N1C19H4.4°145.0°
H13C16C15H1155.1°61.3°
H13C16C15H1064.5°178.6°
H12C16C15H11174.5°58.7°
H12C16C15H1055.0°61.4°
H11C15C14H953.5°65.7°
H11C15C14H8173.0°54.6°
H10C15C14H966.1°54.4°
H10C15C14H853.4°174.7°
H7C11C10H60.1°0.0°
H6C10C9H50.8°0.0°
H5C9C8H40.8°0.1°

222415

PDB entries from 2024-07-10

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