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CAT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.54Å
C1NE1sing1.47Å1.54Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.12Å
C2C3sing1.53Å1.53Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.11Å
C3C4sing1.53Å1.53Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
C4C5sing1.53Å1.53Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.11Å
C5C6sing1.53Å1.52Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.11Å
C6C7sing1.53Å1.52Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.11Å
C7C8sing1.53Å1.52Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.11Å
C8C9sing1.53Å1.53Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.11Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.12Å
C10C11sing1.53Å1.54Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.11Å
C11C12sing1.53Å1.53Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C12H123sing1.09Å1.11Å
CA1NE1sing1.47Å1.49Å
CA1HA11sing1.09Å1.11Å
CA1HA12sing1.09Å1.11Å
CA1HA13sing1.09Å1.11Å
CB1NE1sing1.47Å1.50Å
CB1HB11sing1.09Å1.11Å
CB1HB12sing1.09Å1.11Å
CB1HB13sing1.09Å1.12Å
CC1NE1sing1.47Å1.47Å
CC1HC11sing1.09Å1.11Å
CC1HC12sing1.09Å1.12Å
CC1HC13sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1NE1112.3°109.4°
C2C1H11111.2°109.4°
C2C1H12111.2°109.5°
C1C2C3111.7°109.5°
C1C2H21111.4°109.5°
C1C2H22111.4°109.5°
NE1C1H11111.2°109.5°
NE1C1H12111.2°109.5°
C1NE1CA1109.8°109.4°
C1NE1CB1109.8°109.4°
C1NE1CC1109.3°109.5°
H11C1H1299.2°109.5°
C3C2H21111.4°109.5°
C3C2H22111.4°109.5°
C2C3C4112.3°109.5°
C2C3H31111.2°109.5°
C2C3H32111.2°109.4°
H21C2H2299.0°109.4°
C4C3H31111.2°109.5°
C4C3H32111.2°109.5°
C3C4C5112.5°109.5°
C3C4H41111.1°109.5°
C3C4H42111.1°109.5°
H31C3H3299.1°109.5°
C5C4H41111.1°109.5°
C5C4H42111.1°109.5°
C4C5C6112.5°109.5°
C4C5H51111.1°109.5°
C4C5H52111.1°109.5°
H41C4H4299.2°109.4°
C6C5H51111.1°109.5°
C6C5H52111.1°109.5°
C5C6C7111.2°109.5°
C5C6H61111.6°109.5°
C5C6H62111.6°109.5°
H51C5H5299.3°109.5°
C7C6H61111.6°109.5°
C7C6H62111.6°109.5°
C6C7C8112.0°109.5°
C6C7H71111.3°109.5°
C6C7H72111.2°109.5°
H61C6H6298.8°109.4°
C8C7H71111.3°109.5°
C8C7H72111.3°109.5°
C7C8C9110.8°109.5°
C7C8H81111.7°109.5°
C7C8H82111.8°109.5°
H71C7H7299.1°109.5°
C9C8H81111.7°109.5°
C9C8H82111.7°109.4°
C8C9C10112.8°109.5°
C8C9H91111.0°109.5°
C8C9H92110.9°109.5°
H81C8H8298.6°109.4°
C10C9H91111.0°109.4°
C10C9H92111.0°109.5°
C9C10C11111.3°109.5°
C9C10H101111.5°109.4°
C9C10H102111.6°109.5°
H91C9H9299.4°109.5°
C11C10H101111.5°109.5°
C11C10H102111.5°109.5°
C10C11C12112.4°109.5°
C10C11H111111.1°109.5°
C10C11H112111.1°109.5°
H101C10H10298.9°109.5°
C12C11H111111.2°109.4°
C12C11H112111.2°109.4°
C11C12H121112.3°109.5°
C11C12H122111.1°109.5°
C11C12H123111.2°109.5°
H111C11H11299.2°109.5°
H121C12H122111.1°109.5°
H121C12H123111.2°109.5°
H122C12H12399.2°109.5°
NE1CA1HA11109.8°109.5°
NE1CA1HA12112.1°109.4°
NE1CA1HA13112.1°109.5°
CA1NE1CB1109.2°109.5°
CA1NE1CC1109.8°109.5°
HA11CA1HA12112.1°109.5°
HA11CA1HA13112.2°109.5°
HA12CA1HA1398.3°109.4°
NE1CB1HB11109.8°109.5°
NE1CB1HB12112.1°109.5°
NE1CB1HB13112.1°109.5°
CB1NE1CC1109.0°109.5°
HB11CB1HB12112.2°109.5°
HB11CB1HB13112.1°109.5°
HB12CB1HB1398.3°109.5°
NE1CC1HC11109.4°109.5°
NE1CC1HC12112.3°109.4°
NE1CC1HC13112.3°109.5°
HC11CC1HC12112.2°109.5°
HC11CC1HC13112.2°109.5°
HC12CC1HC1398.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1NE1H11125.3°119.9°
C2C1NE1H12125.2°120.0°
C2C1H11H12117.1°120.0°
C1C2C3H21125.2°120.0°
C1C2C3H22125.3°120.0°
C1C2H21H22117.3°120.0°
C1C2C3C4165.5°180.0°
C1C2C3H3169.2°60.0°
C1C2C3H3240.2°60.0°
C2C1NE1CA122.2°60.0°
C2C1NE1CB1142.2°180.0°
C2C1NE1CC198.3°60.0°
NE1C1H11H12117.1°120.0°
NE1C1C2C3173.8°180.0°
NE1C1C2H2161.0°60.0°
NE1C1C2H2248.5°60.0°
C1NE1CA1CB1120.4°119.9°
C1NE1CA1CC1120.2°120.0°
C1NE1CA1HA11180.0°60.0°
C1NE1CA1HA1254.7°180.0°
C1NE1CA1HA1354.7°60.1°
C1NE1CB1CC1119.7°120.0°
C1NE1CB1HB11180.0°60.0°
C1NE1CB1HB1254.7°180.0°
C1NE1CB1HB1354.7°60.0°
C1NE1CC1HC11180.0°60.0°
C1NE1CC1HC1254.7°180.0°
C1NE1CC1HC1354.7°60.0°
H11C1C2C360.9°60.0°
H11C1C2H2164.3°180.0°
H11C1C2H22173.8°60.0°
H11C1NE1CA1103.1°60.0°
H11C1NE1CB116.9°60.0°
H11C1NE1CC1136.4°180.0°
H12C1C2C348.5°60.0°
H12C1C2H21173.8°60.0°
H12C1C2H2276.7°180.0°
H12C1NE1CA1147.4°180.0°
H12C1NE1CB192.5°60.0°
H12C1NE1CC126.9°60.0°
C3C2H21H22117.3°120.0°
C2C3C4H31125.3°120.0°
C2C3C4H32125.3°120.0°
C2C3H31H32117.0°120.0°
C2C3C4C560.5°180.0°
C2C3C4H41174.3°60.0°
C2C3C4H4264.8°60.0°
H21C2C3C440.3°60.0°
H21C2C3H31165.6°180.0°
H21C2C3H3285.0°60.0°
H22C2C3C469.2°60.0°
H22C2C3H3156.1°60.0°
H22C2C3H32165.5°180.0°
C4C3H31H32117.1°120.0°
C3C4C5H41125.2°120.0°
C3C4C5H42125.3°120.0°
C3C4H41H42117.0°120.0°
C3C4C5C6108.5°180.0°
C3C4C5H51126.2°60.0°
C3C4C5H5216.7°60.0°
H31C3C4C564.8°60.0°
H31C3C4H4160.4°180.0°
H31C3C4H42169.9°60.0°
H32C3C4C5174.3°60.0°
H32C3C4H4149.0°60.0°
H32C3C4H4260.5°180.0°
C5C4H41H42117.0°120.0°
C4C5C6H51125.3°120.0°
C4C5C6H52125.2°120.0°
C4C5H51H52117.0°120.0°
C4C5C6C7167.1°180.0°
C4C5C6H6167.6°60.0°
C4C5C6H6241.8°60.0°
H41C4C5C616.7°60.0°
H41C4C5H51108.6°180.0°
H41C4C5H52141.9°60.0°
H42C4C5C6126.2°60.0°
H42C4C5H510.9°60.0°
H42C4C5H52108.6°180.0°
C6C5H51H52116.9°120.0°
C5C6C7H61125.3°120.0°
C5C6C7H62125.3°120.0°
C5C6H61H62117.5°120.0°
C5C6C7C8161.4°180.0°
C5C6C7H7136.1°60.0°
C5C6C7H7273.4°60.0°
H51C5C6C741.8°60.0°
H51C5C6H61167.1°180.0°
H51C5C6H6283.4°60.0°
H52C5C6C767.7°60.0°
H52C5C6H6157.6°60.0°
H52C5C6H62167.1°180.0°
C7C6H61H62117.5°120.0°
C6C7C8H71125.3°120.0°
C6C7C8H72125.2°120.0°
C6C7H71H72117.1°120.0°
C6C7C8C9166.9°180.0°
C6C7C8H8141.7°59.9°
C6C7C8H8267.8°60.0°
H61C6C7C873.3°60.0°
H61C6C7H71161.4°180.0°
H61C6C7H7251.9°60.0°
H62C6C7C836.1°60.0°
H62C6C7H7189.1°60.0°
H62C6C7H72161.4°180.0°
C8C7H71H72117.2°120.0°
C7C8C9H81125.2°120.1°
C7C8C9H82125.3°120.0°
C7C8H81H82117.7°120.0°
C7C8C9C10135.2°180.0°
C7C8C9H919.9°60.0°
C7C8C9H9299.6°60.0°
H71C7C8C967.8°60.0°
H71C7C8H81166.9°179.9°
H71C7C8H8257.5°60.0°
H72C7C8C941.7°60.0°
H72C7C8H8183.6°60.0°
H72C7C8H82167.0°180.0°
C9C8H81H82117.6°120.0°
C8C9C10H91125.3°120.0°
C8C9C10H92125.2°120.0°
C8C9H91H92116.8°120.0°
C8C9C10C11177.9°180.0°
C8C9C10H10152.7°60.0°
C8C9C10H10256.8°60.0°
H81C8C9C1099.6°60.0°
H81C8C9H91135.1°179.9°
H81C8C9H9225.7°60.1°
H82C8C9C109.9°60.0°
H82C8C9H91115.4°60.0°
H82C8C9H92135.1°180.0°
C10C9H91H92116.9°120.0°
C9C10C11H101125.2°120.0°
C9C10C11H102125.3°120.0°
C9C10H101H102117.5°120.0°
C9C10C11C12170.1°180.0°
C9C10C11H11164.6°60.0°
C9C10C11H11244.8°60.0°
H91C9C10C1156.8°60.0°
H91C9C10H101178.0°NaN°
H91C9C10H10268.5°60.0°
H92C9C10C1152.7°60.0°
H92C9C10H10172.5°60.0°
H92C9C10H102178.0°180.0°
C11C10H101H102117.4°120.0°
C10C11C12H111125.3°120.0°
C10C11C12H112125.2°120.0°
C10C11H111H112117.0°120.1°
C10C11C12H121179.9°60.0°
C10C11C12H12254.8°60.0°
C10C11C12H12354.7°180.0°
H101C10C11C1244.9°60.0°
H101C10C11H111170.1°180.0°
H101C10C11H11280.4°59.9°
H102C10C11C1264.6°60.0°
H102C10C11H11160.7°60.0°
H102C10C11H112170.1°179.9°
C12C11H111H112117.1°119.9°
C11C12H121H122125.2°120.0°
C11C12H121H123125.3°120.0°
C11C12H122H123117.0°120.0°
H111C11C12H12154.8°60.1°
H111C11C12H122180.0°179.9°
H111C11C12H12370.6°59.9°
H112C11C12H12154.7°180.0°
H112C11C12H12270.4°60.0°
H112C11C12H123179.9°60.0°
H121C12H122H123117.1°120.0°
NE1CA1HA11HA12125.2°120.0°
NE1CA1HA11HA13125.2°120.0°
NE1CA1HA12HA13118.0°120.0°
CA1NE1CB1CC1119.9°120.1°
CA1NE1CB1HB1159.7°180.0°
CA1NE1CB1HB1265.7°60.1°
CA1NE1CB1HB13175.1°59.9°
CA1NE1CC1HC1159.5°59.9°
CA1NE1CC1HC12175.2°60.1°
CA1NE1CC1HC1365.8°180.0°
HA11CA1HA12HA13118.1°120.0°
HA11CA1NE1CB159.7°59.9°
HA11CA1NE1CC159.7°180.0°
HA12CA1NE1CB1175.1°60.1°
HA12CA1NE1CC165.5°60.0°
HA13CA1NE1CB165.6°180.0°
HA13CA1NE1CC1175.0°59.9°
NE1CB1HB11HB12125.3°120.0°
NE1CB1HB11HB13125.2°120.0°
NE1CB1HB12HB13118.0°120.0°
CB1NE1CC1HC1160.0°180.0°
CB1NE1CC1HC1265.2°60.0°
CB1NE1CC1HC13174.7°60.0°
HB11CB1HB12HB13118.0°120.0°
HB11CB1NE1CC160.3°60.0°
HB12CB1NE1CC1174.4°60.0°
HB13CB1NE1CC165.0°180.0°
NE1CC1HC11HC12125.3°120.0°
NE1CC1HC11HC13125.3°120.0°
NE1CC1HC12HC13118.2°120.0°
HC11CC1HC12HC13118.1°120.0°

227111

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