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C90

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CB2CA2sing1.53Å1.53Å
CB2N4sing1.47Å1.45Å
CC2CD2doub1.38Å1.40ÅAromatic
CC2C6sing1.38Å1.40ÅAromatic
CA2O1sing1.43Å1.44Å
C5N4sing1.47Å1.45Å
C5C6sing1.51Å1.51Å
CD2C9sing1.40Å1.40ÅAromatic
N4CB1sing1.47Å1.45Å
C6CC1doub1.38Å1.40ÅAromatic
O1CA1sing1.43Å1.44Å
C9C10sing1.43Å1.43Å
C9CD1doub1.40Å1.40ÅAromatic
CB1CA1sing1.53Å1.53Å
O22C22doub1.21Å1.21Å
CC1CD1sing1.38Å1.40ÅAromatic
C10C11trip1.17Å1.23Å
CE1CF1doub1.37Å1.40ÅAromatic
CE1C12sing1.40Å1.40ÅAromatic
C11C12sing1.43Å1.43Å
C21C19sing1.53Å1.53Å
CF1C15sing1.40Å1.40ÅAromatic
C12CE2doub1.40Å1.40ÅAromatic
O24N23sing1.42Å1.32Å
C22N23sing1.35Å1.30Å
C22C18sing1.51Å1.53Å
N17C18sing1.47Å1.49Å
N17C16sing1.35Å1.31Å
C15C16sing1.48Å1.40Å
C15CFdoub1.40Å1.40ÅAromatic
CE2CFsing1.37Å1.40ÅAromatic
C18C19sing1.53Å1.53Å
C19O20sing1.43Å1.42Å
C16O16doub1.22Å1.22Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
CA1HA11sing1.09Å1.10Å
CA1HA12sing1.09Å1.10Å
CA2HA21sing1.09Å1.10Å
CA2HA22sing1.09Å1.10Å
CB1HB11sing1.09Å1.10Å
CB1HB12sing1.09Å1.10Å
CB2HB21sing1.09Å1.10Å
CB2HB22sing1.09Å1.10Å
CC1HC1sing1.08Å1.08Å
CC2HC2sing1.08Å1.08Å
CD1HD1sing1.08Å1.08Å
CD2HD2sing1.08Å1.08Å
CE1HE1sing1.08Å1.08Å
CE2HE2sing1.08Å1.08Å
CF1HF1sing1.08Å1.08Å
CFHFsing1.08Å1.08Å
N17HN17sing0.97Å1.00Å
O20HO20sing0.97Å0.95Å
N23HN23sing0.97Å1.00Å
O24HO24sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CA2CB2N4109.0°109.3°
CB2CA2O1110.2°109.2°
CB2CA2HA21109.2°109.5°
CB2CA2HA22109.1°109.6°
CA2CB2HB21109.6°109.6°
CA2CB2HB22109.7°109.5°
CB2N4C5111.3°111.0°
CB2N4CB1109.4°110.7°
N4CB2HB21109.6°109.5°
N4CB2HB22109.7°109.4°
CD2CC2C6120.1°120.2°
CC2CD2C9120.0°119.8°
CD2CC2HC2120.0°119.9°
CC2CD2HD2120.0°120.1°
CC2C6C5119.9°119.8°
CC2C6CC1119.9°120.4°
C6CC2HC2119.9°119.9°
CA2O1CA1112.3°113.7°
O1CA2HA21109.3°109.5°
O1CA2HA22109.1°109.5°
N4C5C6110.8°109.5°
C5N4CB1110.9°111.0°
N4C5H51109.0°109.5°
N4C5H52108.7°109.5°
C5C6CC1120.2°119.8°
C6C5H51109.0°109.5°
C6C5H52108.7°109.4°
CD2C9C10119.7°120.1°
CD2C9CD1120.0°119.7°
C9CD2HD2120.0°120.1°
N4CB1CA1109.1°109.3°
N4CB1HB11109.6°109.5°
N4CB1HB12109.7°109.6°
C6CC1CD1120.0°120.1°
C6CC1HC1120.0°119.9°
O1CA1CB1110.1°109.2°
O1CA1HA11109.2°109.5°
O1CA1HA12109.1°109.5°
C10C9CD1120.3°120.2°
C9C10C11179.4°180.0°
C9CD1CC1120.0°119.8°
C9CD1HD1120.0°120.1°
CB1CA1HA11109.2°109.5°
CB1CA1HA12109.1°109.5°
CA1CB1HB11109.6°109.5°
CA1CB1HB12109.7°109.5°
O22C22N23121.4°120.0°
O22C22C18120.6°120.0°
CD1CC1HC1120.0°120.0°
CC1CD1HD1120.0°120.1°
C10C11C12179.2°180.0°
CF1CE1C12120.1°120.0°
CE1CF1C15119.8°120.0°
CF1CE1HE1119.9°120.0°
CE1CF1HF1120.1°120.0°
CE1C12C11120.2°120.0°
CE1C12CE2119.9°119.9°
C12CE1HE1120.0°120.0°
C11C12CE2119.9°120.1°
C21C19C18109.6°109.5°
C21C19O20109.7°109.5°
C21C19H19109.3°109.5°
C19C21H211109.5°109.5°
C19C21H212109.5°109.5°
C19C21H213109.4°109.5°
CF1C15C16120.3°120.0°
CF1C15CF120.0°120.0°
C15CF1HF1120.1°120.0°
C12CE2CF119.9°120.0°
C12CE2HE2120.0°120.0°
O24N23C22119.7°120.0°
O24N23HN23120.2°120.0°
N23O24HO24109.5°114.0°
N23C22C18118.0°120.0°
C22N23HN23120.1°120.0°
C22C18N17109.0°109.5°
C22C18C19109.7°109.5°
C22C18H18109.7°109.5°
C18N17C16119.6°120.0°
N17C18C19109.7°109.5°
N17C18H18109.7°109.5°
C18N17HN17120.2°120.0°
N17C16C15120.4°120.0°
N17C16O16120.8°120.1°
C16N17HN17120.2°120.0°
C16C15CF119.6°120.0°
C15C16O16118.8°120.0°
C15CFCE2120.2°120.0°
C15CFHF119.9°120.0°
CFCE2HE2120.0°120.0°
CE2CFHF119.9°120.0°
C18C19O20109.5°109.5°
C18C19H19109.5°109.5°
C19C18H18109.0°109.4°
O20C19H19109.4°109.5°
C19O20HO20109.5°114.0°
H51C5H52110.5°109.5°
H211C21H212109.4°109.4°
H211C21H213109.5°109.5°
H212C21H213109.5°109.5°
HA11CA1HA12110.0°109.5°
HA21CA2HA22110.0°109.5°
HB11CB1HB12109.1°109.5°
HB21CB2HB22109.1°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CA2CB2N4HB21120.0°120.0°
CA2CB2N4HB22120.2°119.9°
CB2CA2O1HA21120.0°119.9°
CB2CA2O1HA22119.7°120.0°
CA2CB2N4C5175.9°177.6°
CA2CB2N4CB161.2°58.7°
CB2CA2O1CA156.3°58.7°
CB2CA2HA21HA22119.7°120.2°
CA2CB2HB21HB22120.2°120.2°
N4CB2CA2O12.1°56.9°
CB2N4C5CB1122.0°123.6°
CB2N4C5C657.1°170.0°
CB2N4CB1CA162.5°58.7°
CB2N4C5H5163.0°50.0°
CB2N4C5H52176.5°70.0°
N4CB2CA2HA21117.9°176.8°
N4CB2CA2HA22121.9°63.1°
CB2N4CB1HB1157.6°178.5°
CB2N4CB1HB12177.4°61.3°
N4CB2HB21HB22120.2°120.0°
CD2CC2C6HC2180.0°180.0°
CD2CC2C6C5179.8°180.0°
CC2CD2C9HD2180.0°179.9°
CD2CC2C6CC10.2°0.3°
CC2CD2C9C10179.4°180.0°
CC2CD2C9CD10.1°0.2°
CC2C6C5N491.2°90.3°
CC2C6C5CC1180.0°179.7°
C6CC2CD2C90.2°0.1°
CC2C6CC1CD10.1°0.3°
CC2C6C5H5128.8°29.7°
CC2C6C5H52149.4°149.7°
CC2C6CC1HC1179.9°179.8°
C6CC2CD2HD2179.8°180.0°
CA2O1CA1CB155.1°58.7°
CA2O1CA1HA11175.1°61.2°
CA2O1CA1HA1264.6°178.7°
O1CA2HA21HA22119.7°120.1°
O1CA2CB2HB21117.9°63.1°
O1CA2CB2HB22122.3°176.7°
N4C5C6H51120.0°120.0°
N4C5C6H52119.4°120.0°
N4C5C6CC188.8°90.0°
C5N4CB1CA1174.4°177.6°
N4C5H51H52119.4°120.0°
C5N4CB1HB1165.6°57.8°
C5N4CB1HB1254.3°62.4°
C5N4CB2HB2164.0°62.4°
C5N4CB2HB2255.8°57.7°
C6C5N4CB164.9°66.4°
C5C6CC1CD1179.9°180.0°
C6C5H51H52119.4°120.0°
C5C6CC1HC10.1°0.1°
C5C6CC2HC20.2°0.0°
CD2C9C10CD1179.3°179.8°
CD2C9CD1CC10.0°0.2°
CD2C9C10C1163.5°15.4°
C9CD2CC2HC2179.8°179.9°
CD2C9CD1HD1180.0°180.0°
N4CB1CA1O14.3°56.9°
N4CB1CA1HB11120.0°119.9°
N4CB1CA1HB12120.2°120.1°
CB1N4C5H51175.1°173.6°
CB1N4C5H5254.5°53.5°
N4CB1CA1HA11115.7°63.0°
N4CB1CA1HA12124.0°176.8°
N4CB1HB11HB12120.2°120.2°
CB1N4CB2HB2158.8°61.3°
CB1N4CB2HB22178.6°178.6°
C6CC1CD1C90.0°0.0°
C6CC1CD1HC1180.0°180.0°
CC1C6C5H51151.1°150.0°
CC1C6C5H5230.6°30.0°
CC1C6CC2HC2179.8°179.7°
C6CC1CD1HD1180.0°179.8°
O1CA1CB1HA11120.0°119.9°
O1CA1CB1HA12119.7°119.9°
O1CA1HA11HA12119.7°120.1°
CA1O1CA2HA21176.4°178.6°
CA1O1CA2HA2263.4°61.3°
O1CA1CB1HB11115.7°176.8°
O1CA1CB1HB12124.5°63.2°
C10C9CD1CC1179.3°180.0°
C9C10C11C1216.3°55.5°
C10C9CD1HD10.7°0.2°
C10C9CD2HD20.6°0.1°
C9CD1CC1HD1180.0°179.8°
CD1C9C10C11115.8°164.7°
C9CD1CC1HC1180.0°180.0°
CD1C9CD2HD2179.9°179.8°
CB1CA1HA11HA12119.8°120.1°
CA1CB1HB11HB12120.2°120.0°
O22C22N23O240.1°0.0°
O22C22N23C18179.7°180.0°
O22C22C18N1746.5°0.0°
O22C22C18C1973.7°120.0°
O22C22C18H18166.6°120.0°
O22C22N23HN23179.9°180.0°
C10C11C12CE155.9°139.5°
C10C11C12CE2123.2°40.2°
CF1CE1C12HE1180.0°179.9°
CF1CE1C12C11179.2°180.0°
CE1CF1C15HF1180.0°179.9°
CF1CE1C12CE20.1°0.3°
CE1CF1C15C16178.9°180.0°
CE1CF1C15CF0.1°0.2°
CE1C12C11CE2179.1°179.7°
C12CE1CF1C150.3°0.0°
CE1C12CE2CF0.1°0.3°
CE1C12CE2HE2179.8°179.7°
C12CE1CF1HF1179.7°180.0°
C11C12CE2CF179.0°180.0°
C11C12CE1HE10.7°0.1°
C11C12CE2HE21.1°0.0°
C21C19C18C2251.9°175.0°
C21C19C18N1767.9°55.0°
C21C19C18O20120.3°120.0°
C21C19C18H19119.8°120.0°
C21C19O20H19119.8°120.0°
C21C19C18H18172.0°65.0°
C19C21H211H212120.0°120.0°
C19C21H211H213120.0°120.0°
C19C21H212H213120.0°120.0°
C21C19O20HO200.6°60.1°
CF1C15C16N1729.3°0.2°
CF1C15C16CF179.0°179.8°
CF1C15CFCE20.1°0.2°
CF1C15C16O16150.3°179.8°
C15CF1CE1HE1179.7°180.0°
CF1C15CFHF179.8°180.0°
C12CE2CFC150.3°0.1°
C12CE2CFHE2180.0°179.9°
CE2C12CE1HE1179.8°179.8°
C12CE2CFHF179.7°179.8°
O24N23C22HN23180.0°180.0°
O24N23C22C18179.7°180.0°
N23C22C18N17133.3°180.0°
N23C22C18C19106.6°60.0°
N23C22C18H1813.2°60.0°
C22N23O24HO242.8°180.0°
C22C18N17C19120.2°120.0°
C22C18N17H18120.1°120.0°
C22C18N17C16132.3°155.0°
C22C18C19H18120.1°120.0°
C22C18C19O2068.4°55.0°
C22C18C19H19171.7°65.0°
C22C18N17HN1747.7°25.0°
C18C22N23HN230.4°0.0°
C18N17C16HN17180.0°180.0°
C18N17C16C15179.6°180.0°
N17C18C19H18120.1°120.0°
N17C18C19O20171.8°65.0°
C18N17C16O160.0°0.0°
N17C18C19H1952.0°175.0°
N17C16C15O16179.7°180.0°
N17C16C15CF151.6°180.0°
C16N17C18C19107.5°85.0°
C16N17C18H1812.2°35.0°
C16C15CFCE2179.2°180.0°
C16C15CF1HF11.1°0.0°
C16C15CFHF0.8°0.2°
C15C16N17HN170.4°0.0°
C15CFCE2HF180.0°179.8°
CFC15C16O1628.7°0.0°
C15CFCE2HE2179.7°180.0°
CFC15CF1HF1179.8°179.7°
C18C19O20H19119.9°120.0°
C18C19C21H21131.4°180.0°
C18C19C21H21288.6°60.0°
C18C19C21H213151.4°60.0°
C19C18N17HN1772.5°95.0°
C18C19O20HO20119.7°60.0°
O20C19C18H1851.7°175.0°
O20C19C21H211151.6°60.0°
O20C19C21H21231.6°180.0°
O20C19C21H21388.4°60.0°
O16C16N17HN17179.9°179.9°
H19C19C18H1868.2°55.0°
H19C19C21H21188.5°60.0°
H19C19C21H212151.5°60.0°
H19C19C21H21331.5°180.0°
H19C19O20HO20120.4°179.9°
H18C18N17HN17167.8°145.1°
H211C21H212H213120.0°120.0°
HA11CA1CB1HB11124.3°56.9°
HA11CA1CB1HB124.5°176.9°
HA12CA1CB1HB114.0°63.3°
HA12CA1CB1HB12115.8°56.8°
HA21CA2CB2HB21122.1°56.8°
HA21CA2CB2HB222.3°63.4°
HA22CA2CB2HB211.9°177.0°
HA22CA2CB2HB22117.9°56.8°
HC1CC1CD1HD10.0°0.2°
HC2CC2CD2HD20.2°0.0°
HE1CE1CF1HF10.3°0.1°
HE2CE2CFHF0.3°0.2°
HN23N23O24HO24177.2°0.1°

226262

PDB entries from 2024-10-16

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