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K30

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C28N25sing1.47Å1.53Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C22H22Bsing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C17C18sing1.38Å1.40ÅAromatic
C17H17sing1.08Å1.08Å
C19C18doub1.38Å1.38ÅAromatic
C19H19sing1.08Å1.08Å
C16C17doub1.38Å1.44ÅAromatic
C16H16sing1.08Å1.08Å
C20C19sing1.38Å1.46ÅAromatic
C20H20sing1.08Å1.08Å
C7C8doub1.39Å1.41ÅAromatic
C7C6sing1.38Å1.39ÅAromatic
C7H7sing1.08Å1.08Å
C6C5doub1.38Å1.41ÅAromatic
C6H6sing1.08Å1.08Å
C9C4doub1.40Å1.45ÅAromatic
C9H9sing1.08Å1.08Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C26C27sing1.53Å1.54Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C2C1sing1.51Å1.55Å
C24C23sing1.53Å1.53Å
C24N25sing1.47Å1.51Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
CNsing1.47Å1.48Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
C14C1sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C15C16sing1.38Å1.42ÅAromatic
C15C20doub1.38Å1.38ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C5C4sing1.40Å1.41ÅAromatic
C5Fsing1.35Å1.33Å
C4C3sing1.48Å1.43Å
C12C27sing1.53Å1.56Å
C12N11sing1.47Å1.43Å
C12H12sing1.09Å1.10Å
C3C2doub1.32Å1.35Å
C3Csing1.51Å1.47Å
C23C12sing1.53Å1.54Å
C23F29sing1.40Å1.36Å
C23H23sing1.09Å1.10Å
C10Odoub1.22Å1.28Å
C1C15sing1.51Å1.62Å
N25C26sing1.47Å1.53Å
NC10sing1.35Å1.41Å
NC1sing1.47Å1.50Å
N11C22sing1.46Å1.44Å
N11C10sing1.35Å1.36Å
O21C14sing1.43Å1.39Å
O21HO21sing0.97Å0.95Å
F13C8sing1.35Å1.32Å
C2H2sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N25C28H28109.5°109.4°
N25C28H28A109.5°109.4°
N25C28H28B109.5°109.4°
C28N25C24109.7°111.0°
C28N25C26112.1°111.1°
H28C28H28A109.5°109.5°
H28C28H28B109.4°109.5°
H28AC28H28B109.5°109.5°
H22C22H22A109.5°109.5°
H22C22H22B109.4°109.5°
H22C22N11109.5°109.5°
H22AC22H22B109.5°109.5°
H22AC22N11109.4°109.5°
H22BC22N11109.5°109.5°
H18C18C17121.3°119.9°
H18C18C19121.3°120.1°
C18C17H17121.3°120.0°
C17C18C19117.4°120.0°
C18C17C16117.4°120.0°
H17C17C16121.3°120.0°
C18C19H19117.9°120.0°
C18C19C20124.1°120.0°
H19C19C20117.9°120.0°
C17C16H16116.8°120.0°
C17C16C15126.4°120.0°
H16C16C15116.8°120.0°
C19C20H20119.8°120.0°
C19C20C15120.5°120.0°
H20C20C15119.8°120.0°
C8C7C6119.4°120.3°
C8C7H7120.3°119.9°
C7C8C9121.6°120.2°
C7C8F13118.1°119.9°
C6C7H7120.3°119.8°
C7C6C5120.3°120.1°
C7C6H6119.8°119.9°
C5C6H6119.8°119.9°
C6C5C4120.8°119.9°
C6C5F114.9°120.0°
C4C9H9120.2°120.1°
C4C9C8119.6°119.8°
C9C4C5118.2°119.7°
C9C4C3115.7°120.1°
H9C9C8120.2°120.1°
H27C27H27A108.3°109.5°
H27C27C26110.0°109.5°
H27C27C12110.0°109.5°
H27AC27C26110.4°109.5°
H27AC27C12110.3°109.5°
C27C26H26108.2°109.5°
C27C26H26A107.3°109.5°
C26C27C12107.9°109.3°
C27C26N25113.3°109.5°
H26C26H26A112.6°109.5°
H26C26N25108.2°109.5°
H26AC26N25107.3°109.5°
C2C1C14127.6°109.9°
C1C2C3111.9°109.9°
C2C1C15101.3°109.9°
C2C1N96.8°107.2°
C1C2H2124.1°125.0°
C23C24N25104.0°109.6°
C23C24H24111.3°109.4°
C23C24H24A112.5°109.5°
C24C23C12108.5°109.2°
C24C23F29106.7°109.5°
C24C23H23111.4°109.5°
N25C24H24111.3°109.5°
N25C24H24A112.5°109.4°
C24N25C26110.9°111.2°
H24C24H24A105.3°109.5°
NCH111.8°109.9°
NCHA113.2°109.9°
NCC3102.8°107.2°
CNC10132.2°127.1°
CNC1110.6°105.8°
HCHA104.4°109.9°
HCC3111.7°109.9°
HACC3113.2°110.1°
C1C14H14108.8°109.5°
C1C14H14A108.2°109.5°
C14C1C15116.4°109.9°
C14C1N99.7°109.9°
C1C14O21111.7°109.4°
H14C14H14A111.2°109.5°
H14C14O21108.7°109.5°
H14AC14O21108.2°109.5°
C16C15C20114.1°120.0°
C16C15C1120.9°120.0°
C20C15C1125.0°120.0°
C9C8F13120.3°119.9°
C4C5F124.3°120.1°
C5C4C3126.1°120.1°
C4C3C2133.6°125.1°
C4C3C116.0°125.1°
C27C12N11110.7°109.6°
C27C12H12107.7°109.6°
C27C12C23112.2°109.2°
N11C12H12107.6°109.5°
N11C12C23112.3°109.5°
C12N11C22119.9°120.0°
C12N11C10122.1°120.0°
H12C12C23106.0°109.5°
C2C3C110.4°109.9°
C3C2H2124.0°125.1°
C12C23F29107.8°109.5°
C12C23H23110.2°109.5°
F29C23H23112.0°109.6°
OC10N120.3°120.0°
OC10N11118.2°120.0°
C15C1N113.3°110.0°
C10NC1116.6°127.1°
NC10N11121.2°120.0°
C22N11C10117.0°120.0°
C14O21HO21109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N25C28H28H28A120.0°119.9°
N25C28H28H28B120.0°120.0°
N25C28H28AH28B120.0°120.0°
C28N25C26C27178.3°174.2°
C28N25C26H2661.7°65.8°
C28N25C26H26A60.0°54.2°
C28N25C24C23170.2°174.1°
C28N25C24C26124.3°124.2°
C28N25C24H2450.2°54.1°
C28N25C24H24A67.7°65.8°
H28C28H28AH28B120.0°120.1°
H28C28N25C24147.7°60.0°
H28C28N25C2624.2°64.2°
H28AC28N25C2492.2°180.0°
H28AC28N25C26144.2°55.8°
H28BC28N25C2427.8°60.0°
H28BC28N25C2695.8°175.8°
H22C22H22AH22B120.0°120.0°
H22C22H22AN11120.0°120.0°
H22C22H22BN11120.0°120.0°
H22C22N11C1299.2°4.5°
H22C22N11C1092.6°175.4°
H22AC22H22BN11120.0°120.0°
H22AC22N11C1220.8°124.5°
H22AC22N11C10147.4°55.4°
H22BC22N11C12140.8°115.5°
H22BC22N11C1027.4°64.6°
H18C18C17C19180.0°179.6°
H18C18C17H172.2°0.0°
H18C18C19H190.0°0.1°
H18C18C17C16177.8°180.0°
H18C18C19C20180.0°180.0°
C18C17H17C16180.0°179.9°
C17C18C19H19180.0°179.7°
C18C17C16H16178.0°180.0°
C17C18C19C200.0°0.4°
C18C17C16C152.0°0.0°
H17C17C18C19177.8°179.7°
H17C17C16H162.0°0.0°
H17C17C16C15178.0°180.0°
C18C19H19C20180.0°179.9°
C19C18C17C162.2°0.4°
C18C19C20H20177.2°179.9°
C18C19C20C152.8°0.1°
H19C19C20H202.8°0.0°
H19C19C20C15177.2°180.0°
C17C16H16C15180.0°180.0°
C17C16C15C200.6°0.3°
C17C16C15C1179.8°179.9°
H16C16C15C20179.4°179.7°
H16C16C15C10.2°0.1°
C19C20H20C15180.0°180.0°
C19C20C15C162.9°0.2°
C19C20C15C1178.0°180.0°
H20C20C15C16177.1°179.8°
H20C20C15C12.1°0.0°
C8C7C6H7180.0°179.7°
C8C7C6C52.9°0.0°
C8C7C6H6177.1°180.0°
C7C8C9C43.2°0.1°
C7C8C9H9176.8°180.0°
C7C8C9F13176.8°179.9°
C7C6C5H6180.0°180.0°
C6C7C8C90.5°0.1°
C7C6C5C43.4°0.1°
C7C6C5F178.0°179.9°
C6C7C8F13177.3°180.0°
H7C7C6C5177.1°179.7°
H7C7C6H62.9°0.3°
H7C7C8C9179.5°179.6°
H7C7C8F132.7°0.3°
C6C5C4C90.6°0.1°
C6C5C4F178.4°179.9°
C6C5C4C3178.7°180.0°
H6C6C5C4176.6°180.0°
H6C6C5F2.0°0.1°
C4C9H9C8180.0°179.9°
C9C4C5C3178.1°179.9°
C9C4C5F179.0°180.0°
C9C4C3C2174.7°75.0°
C9C4C3C5.4°104.9°
C4C9C8F13180.0°180.0°
H9C9C4C5177.3°180.0°
H9C9C4C34.3°0.1°
H9C9C8F130.0°0.1°
H27C27H27AC26120.4°120.1°
H27C27H27AC12120.4°120.1°
H27C27C26C12120.0°120.0°
H27C27C26H26168.6°179.2°
H27C27C26H26A46.9°59.3°
H27C27C12N1157.7°57.6°
H27C27C12H12175.1°177.8°
H27C27C12C2368.6°62.3°
H27C27C26N2571.4°60.8°
H27AC27C26C12120.6°120.0°
H27AC27C26H2649.2°59.2°
H27AC27C26H26A72.5°60.8°
H27AC27C12N1161.6°62.5°
H27AC27C12H1255.7°57.7°
H27AC27C12C23172.0°177.6°
H27AC27C26N25169.2°179.2°
C27C26H26H26A118.4°120.0°
C27C26H26N25123.1°120.0°
C27C26H26AN25122.1°120.1°
C27C26N25C2458.8°61.7°
C26C27C12N11177.7°177.6°
C26C27C12H1264.9°62.3°
C26C27C12C2351.4°57.7°
H26C26H26AN25118.9°120.0°
H26C26N25C2461.2°58.3°
H26C26C27C1271.4°60.8°
H26AC26N25C24177.1°178.3°
H26AC26C27C12166.8°179.2°
C2C1NC27.2°0.4°
C2C1C14C15131.3°121.1°
C2C1C14N106.4°117.8°
C2C1C14H14179.4°178.5°
C2C1C14H14A58.5°58.5°
C2C1C15C1667.7°61.4°
C2C1C15C20113.2°118.8°
C1C2C3C4171.9°180.0°
C1C2C3H2180.0°179.8°
C1C2C3C8.3°0.1°
C2C1C15N102.5°117.9°
C2C1NC10161.0°179.9°
C2C1C14O2160.6°61.5°
C23C24N25H24120.0°120.0°
C23C24N25H24A122.0°120.0°
C23C24H24H24A122.2°120.0°
C24C23C12C2763.6°57.6°
C24C23C12N11170.9°177.6°
C24C23C12H1253.8°62.3°
C24C23C12F29115.2°119.9°
C24C23C12H23122.2°120.0°
C24C23F29H23122.1°120.1°
C23C24N25C2665.5°61.7°
N25C24H24H24A122.2°119.9°
N25C24C23C1267.6°59.1°
N25C24C23F2948.3°60.7°
N25C24C23H23170.9°179.1°
H24C24C23C12172.4°179.2°
H24C24C23F2971.7°59.3°
H24C24C23H2350.9°60.8°
H24C24N25C26174.5°178.3°
H24AC24C23C1254.4°60.9°
H24AC24C23F29170.3°179.3°
H24AC24C23H2367.1°59.1°
H24AC24N25C2656.5°58.3°
NCHHA122.7°121.0°
NCHC3114.6°117.7°
NCHAC3116.5°117.9°
CNC1C14102.9°119.0°
NCC3C4170.5°179.7°
NCC3C29.4°0.3°
CNC10O158.7°175.1°
CNC1C15132.7°120.0°
CNC10C1169.6°179.4°
CNC10N1115.0°4.8°
HCHAC3121.8°121.1°
HCC3C469.5°60.4°
HCC3C2110.6°119.7°
HCNC1074.4°60.6°
HCNC195.6°119.8°
HACC3C448.1°60.8°
HACC3C2131.8°119.2°
HACNC1043.2°60.4°
HACNC1146.8°119.2°
C1C14H14H14A119.1°120.0°
C1C14H14O21121.8°120.0°
C1C14H14AO21121.2°120.0°
C14C1C15C16149.7°59.6°
C14C1C15C2029.4°120.2°
C14C1C2C386.4°119.2°
C14C1C15N114.8°121.1°
C14C1NC1068.9°60.5°
C1C14O21HO21114.5°180.0°
C14C1C2H293.6°60.7°
H14C14H14AO21119.4°120.0°
H14C14C1C1549.3°60.4°
H14C14C1N73.0°60.7°
H14C14O21HO21125.5°60.0°
H14AC14C1C15170.2°179.6°
H14AC14C1N47.9°59.3°
H14AC14O21HO214.5°60.0°
C16C15C20C1179.2°179.8°
C16C15C1N34.9°179.3°
C20C15C1N144.3°0.9°
C8C9C4C52.7°0.1°
C8C9C4C3175.7°180.0°
C5C4C3C23.5°105.1°
C5C4C3C176.4°75.0°
FC5C4C32.8°0.1°
C4C3C2C179.9°179.9°
C4C3C2H28.1°0.2°
C27C12N11H12117.5°120.2°
C27C12N11C23126.3°119.7°
C27C12H12C23120.3°119.7°
C27C12C23F2951.6°62.2°
C27C12C23H23174.2°177.6°
C12C27C26N2548.5°59.2°
C27C12N11C2256.8°54.4°
C27C12N11C10110.8°125.6°
N11C12H12C23120.3°120.1°
N11C12C23F2973.9°57.7°
N11C12C23H2348.7°62.5°
C12N11C10O33.8°5.5°
C12N11C10N140.1°174.5°
C12N11C22C10168.2°180.0°
H12C12C23F29168.9°177.8°
H12C12C23H2368.5°57.6°
H12C12N11C22174.3°174.6°
H12C12N11C106.7°5.4°
C3C2C1C15136.9°119.8°
C3C2C1N21.4°0.2°
C3CNC10165.6°180.0°
C3CNC124.3°0.5°
CC3C2H2171.8°179.8°
C12C23F29H23121.5°120.2°
C23C12N11C2269.5°65.3°
C23C12N11C10122.9°114.7°
OC10NN11173.7°179.9°
OC10NC110.9°5.4°
OC10N11C22134.2°174.5°
C15C1NC1055.6°60.5°
C15C1C14O2170.7°59.6°
C15C1C2H243.1°60.4°
NC10N11C2252.0°5.5°
C1NC10N11175.4°174.6°
NC1C14O21167.0°179.3°
NC1C2H2158.6°180.0°

222926

PDB entries from 2024-07-24

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