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M80

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1BO1Bdoub1.21Å1.24Å
C1BC2Bsing1.51Å1.51Å
C1BOXTsing1.34Å1.46Å
C2BC3Bsing1.53Å1.51Å
C3BCB1sing1.51Å1.51Å
CB1CB6sing1.38Å1.39ÅAromatic
CB1CB2doub1.38Å1.40ÅAromatic
CB6CB5doub1.38Å1.39ÅAromatic
CB5CB4sing1.39Å1.40ÅAromatic
CB2CB3sing1.38Å1.39ÅAromatic
CB3CB4doub1.39Å1.41ÅAromatic
CB4NB4sing1.40Å1.43Å
NB4C4Bsing1.35Å1.35Å
C4BO4Bdoub1.21Å1.24Å
C4BCWsing1.51Å1.51Å
CWCW1sing1.53Å1.54Å
CWNWsing1.47Å1.46Å
CW1CW2sing1.51Å1.52Å
CW2CW3sing1.38Å1.40ÅAromatic
CW2CW7doub1.38Å1.39ÅAromatic
CW3CW4doub1.38Å1.40ÅAromatic
CW4CW5sing1.38Å1.39ÅAromatic
CW5CW6doub1.38Å1.39ÅAromatic
CW6CW7sing1.38Å1.39ÅAromatic
NWCYsing1.35Å1.36Å
CYOY1doub1.22Å1.24Å
CYOY2sing1.35Å1.50Å
OY2CZsing1.45Å1.45Å
CZCZ1sing1.51Å1.53Å
CZ1CZ2sing1.38Å1.41ÅAromatic
CZ1CZ6doub1.38Å1.41ÅAromatic
CZ2CZ3doub1.38Å1.40ÅAromatic
CZ3CZ4sing1.38Å1.40ÅAromatic
CZ4CZ5doub1.38Å1.40ÅAromatic
CZ5CZ6sing1.38Å1.40ÅAromatic
C2BH2B1sing1.09Å1.10Å
C2BH2B2sing1.09Å1.10Å
OXTHXTsing0.97Å0.95Å
C3BH3B1sing1.09Å1.10Å
C3BH3B2sing1.09Å1.10Å
CB6HB6sing1.08Å1.08Å
CB2HB2sing1.08Å1.08Å
CB5HB5sing1.08Å1.08Å
CB3HB3sing1.08Å1.08Å
NB4HB4sing0.97Å1.00Å
CWHWsing1.09Å1.10Å
CW1HW11sing1.09Å1.10Å
CW1HW12sing1.09Å1.10Å
NWHAsing0.97Å1.00Å
CW3HW3sing1.08Å1.08Å
CW7HW7sing1.08Å1.08Å
CW4HW4sing1.08Å1.08Å
CW5HW5sing1.08Å1.08Å
CW6HW6sing1.08Å1.08Å
CZHZ1Csing1.09Å1.10Å
CZHZ2Csing1.09Å1.10Å
CZ2HZ2sing1.08Å1.08Å
CZ6HZ6sing1.08Å1.08Å
CZ3HZ3sing1.08Å1.08Å
CZ4HZ4sing1.08Å1.08Å
CZ5HZ5sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1BC1BC2B121.7°120.0°
O1BC1BOXT115.9°120.0°
C2BC1BOXT122.3°120.0°
C1BC2BC3B112.0°109.5°
C1BC2BH2B1108.7°109.5°
C1BC2BH2B2108.1°109.6°
C1BOXTHXT109.5°117.0°
C2BC3BCB1107.2°109.5°
C3BC2BH2B1108.6°109.5°
C3BC2BH2B2108.1°109.4°
C2BC3BH3B1110.2°109.5°
C2BC3BH3B2110.7°109.4°
C3BCB1CB6119.7°119.9°
C3BCB1CB2120.2°119.9°
CB1C3BH3B1110.3°109.5°
CB1C3BH3B2110.7°109.5°
CB6CB1CB2120.1°120.2°
CB1CB6CB5120.2°120.1°
CB1CB6HB6119.9°119.9°
CB1CB2CB3119.8°120.0°
CB1CB2HB2120.1°120.0°
CB6CB5CB4120.7°119.9°
CB5CB6HB6119.9°120.0°
CB6CB5HB5119.7°120.1°
CB5CB4CB3118.7°119.9°
CB5CB4NB4118.9°120.1°
CB4CB5HB5119.6°120.0°
CB2CB3CB4120.6°119.9°
CB3CB2HB2120.1°120.0°
CB2CB3HB3119.7°120.0°
CB3CB4NB4122.4°120.1°
CB4CB3HB3119.7°120.1°
CB4NB4C4B122.2°120.0°
CB4NB4HB4118.9°120.0°
NB4C4BO4B122.4°120.0°
NB4C4BCW118.8°120.0°
C4BNB4HB4118.9°120.0°
O4BC4BCW118.8°120.0°
C4BCWCW1104.8°109.5°
C4BCWNW113.4°109.5°
C4BCWHW109.4°109.5°
CW1CWNW107.5°109.4°
CWCW1CW2119.8°109.5°
CW1CWHW115.1°109.5°
CWCW1HW11106.2°109.5°
CWCW1HW12103.8°109.5°
CWNWCY126.7°120.0°
NWCWHW106.8°109.5°
CWNWHA116.7°120.0°
CW1CW2CW3119.4°120.0°
CW1CW2CW7120.6°120.0°
CW2CW1HW11106.2°109.5°
CW2CW1HW12103.8°109.4°
CW3CW2CW7120.0°120.0°
CW2CW3CW4120.1°120.0°
CW2CW3HW3119.9°120.0°
CW2CW7CW6119.8°120.0°
CW2CW7HW7120.1°120.0°
CW3CW4CW5119.5°120.0°
CW4CW3HW3120.0°120.0°
CW3CW4HW4120.3°120.0°
CW4CW5CW6120.3°120.0°
CW5CW4HW4120.2°120.0°
CW4CW5HW5119.8°120.0°
CW5CW6CW7120.3°120.1°
CW6CW5HW5119.9°120.1°
CW5CW6HW6119.8°119.9°
CW6CW7HW7120.1°120.0°
CW7CW6HW6119.9°120.0°
NWCYOY1118.3°120.0°
NWCYOY2122.7°120.0°
CYNWHA116.7°120.0°
OY1CYOY2119.0°120.0°
CYOY2CZ126.0°117.0°
OY2CZCZ1115.4°109.5°
OY2CZHZ1C107.5°109.4°
OY2CZHZ2C106.2°109.4°
CZCZ1CZ2120.3°120.0°
CZCZ1CZ6120.6°120.0°
CZ1CZHZ1C107.5°109.5°
CZ1CZHZ2C106.2°109.5°
CZ2CZ1CZ6119.0°120.0°
CZ1CZ2CZ3121.5°120.0°
CZ1CZ2HZ2119.3°120.0°
CZ1CZ6CZ5119.8°120.1°
CZ1CZ6HZ6120.1°120.0°
CZ2CZ3CZ4118.7°120.0°
CZ3CZ2HZ2119.3°120.0°
CZ2CZ3HZ3120.7°120.0°
CZ3CZ4CZ5120.6°120.0°
CZ4CZ3HZ3120.7°120.0°
CZ3CZ4HZ4119.7°120.0°
CZ4CZ5CZ6120.5°120.0°
CZ5CZ4HZ4119.7°120.0°
CZ4CZ5HZ5119.8°120.0°
CZ5CZ6HZ6120.1°120.0°
CZ6CZ5HZ5119.7°120.1°
H2B1C2BH2B2111.4°109.4°
H3B1C3BH3B2107.7°109.5°
HW11CW1HW12117.9°109.4°
HZ1CCZHZ2C114.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1BC1BC2BOXT176.2°179.9°
O1BC1BC2BC3B163.3°0.1°
O1BC1BC2BH2B176.7°120.1°
O1BC1BC2BH2B244.4°119.9°
O1BC1BOXTHXT0.0°0.1°
C1BC2BC3BH2B1120.0°120.0°
C1BC2BC3BH2B2118.9°120.1°
C1BC2BC3BCB1132.8°180.0°
C1BC2BH2B1H2B2119.0°120.1°
C2BC1BOXTHXT176.4°179.8°
C1BC2BC3BH3B1107.2°60.0°
C1BC2BC3BH3B211.9°60.0°
OXTC1BC2BC3B20.5°179.8°
OXTC1BC2BH2B199.5°59.8°
OXTC1BC2BH2B2139.5°60.2°
C2BC3BCB1H3B1120.0°120.0°
C2BC3BCB1H3B2120.9°120.0°
C2BC3BCB1CB645.0°90.0°
C2BC3BCB1CB2133.9°90.3°
C3BC2BH2B1H2B2119.0°119.9°
C2BC3BH3B1H3B2120.9°120.0°
C3BCB1CB6CB2178.9°179.8°
C3BCB1CB6CB5179.5°180.0°
C3BCB1CB2CB3179.4°180.0°
CB1C3BC2BH2B112.8°60.0°
CB1C3BC2BH2B2108.3°60.0°
CB1C3BH3B1H3B2120.9°120.0°
C3BCB1CB6HB60.5°0.0°
C3BCB1CB2HB20.6°0.0°
CB1CB6CB5HB6180.0°180.0°
CB1CB6CB5CB40.3°0.0°
CB6CB1CB2CB30.5°0.3°
CB6CB1C3BH3B1165.0°30.0°
CB6CB1C3BH3B275.8°150.1°
CB6CB1CB2HB2179.5°179.8°
CB1CB6CB5HB5179.7°180.0°
CB2CB1CB6CB50.6°0.3°
CB1CB2CB3HB2180.0°179.9°
CB1CB2CB3CB40.5°0.0°
CB2CB1C3BH3B113.9°149.7°
CB2CB1C3BH3B2105.3°29.7°
CB2CB1CB6HB6179.4°179.7°
CB1CB2CB3HB3179.5°180.0°
CB6CB5CB4HB5180.0°180.0°
CB6CB5CB4CB31.2°0.2°
CB6CB5CB4NB4178.7°180.0°
CB5CB4CB3CB21.4°0.2°
CB5CB4CB3NB4177.3°179.8°
CB5CB4NB4C4B178.1°33.3°
CB4CB5CB6HB6179.7°180.0°
CB5CB4CB3HB3178.6°179.7°
CB5CB4NB4HB41.8°146.7°
CB2CB3CB4HB3180.0°179.9°
CB2CB3CB4NB4178.7°180.0°
CB3CB4NB4C4B0.8°146.5°
CB4CB3CB2HB2179.5°180.0°
CB3CB4CB5HB5178.7°179.7°
CB3CB4NB4HB4179.2°33.5°
CB4NB4C4BHB4180.0°180.0°
CB4NB4C4BO4B1.9°5.3°
CB4NB4C4BCW177.5°174.7°
NB4CB4CB5HB51.3°0.0°
NB4CB4CB3HB31.3°0.1°
NB4C4BO4BCW179.4°180.0°
NB4C4BCWCW1161.7°60.0°
NB4C4BCWNW44.7°180.0°
NB4C4BCWHW74.4°60.0°
O4BC4BCWCW117.8°120.0°
O4BC4BCWNW134.7°0.0°
O4BC4BNB4HB4178.1°174.7°
O4BC4BCWHW106.2°120.0°
C4BCWCW1NW121.0°120.0°
C4BCWCW1HW120.2°120.0°
C4BCWNWHW120.6°120.0°
C4BCWCW1CW2161.1°175.0°
C4BCWNWCY59.8°155.0°
CWC4BNB4HB42.5°5.2°
C4BCWCW1HW1141.1°65.0°
C4BCWCW1HW1283.9°55.0°
C4BCWNWHA120.2°25.0°
CW1CWNWHW124.1°120.0°
CWCW1CW2HW11120.0°120.0°
CWCW1CW2HW12115.0°120.0°
CWCW1CW2CW3111.1°90.0°
CWCW1CW2CW771.6°90.3°
CW1CWNWCY55.6°85.0°
CWCW1HW11HW12115.8°120.0°
CW1CWNWHA124.4°95.0°
NWCWCW1CW240.1°65.0°
CWNWCYHA180.0°180.0°
CWNWCYOY1179.6°0.0°
CWNWCYOY20.5°180.0°
NWCWCW1HW1179.9°55.0°
NWCWCW1HW12155.1°175.0°
CW1CW2CW3CW7177.3°179.7°
CW1CW2CW3CW4179.0°179.9°
CW1CW2CW7CW6178.3°179.7°
CW2CW1CWHW78.7°55.0°
CW2CW1HW11HW12115.7°120.0°
CW1CW2CW3HW31.0°0.0°
CW1CW2CW7HW71.7°0.0°
CW2CW3CW4HW3180.0°179.9°
CW2CW3CW4CW51.3°0.1°
CW3CW2CW7CW61.0°0.5°
CW3CW2CW1HW118.9°30.0°
CW3CW2CW1HW12133.9°150.0°
CW3CW2CW7HW7179.0°179.8°
CW2CW3CW4HW4178.7°180.0°
CW7CW2CW3CW41.6°0.3°
CW2CW7CW6CW50.1°0.5°
CW2CW7CW6HW7180.0°179.7°
CW7CW2CW1HW11168.4°149.7°
CW7CW2CW1HW1243.4°29.8°
CW7CW2CW3HW3178.4°179.8°
CW2CW7CW6HW6179.9°179.7°
CW3CW4CW5HW4180.0°180.0°
CW3CW4CW5CW60.4°0.0°
CW3CW4CW5HW5179.6°180.0°
CW4CW5CW6HW5180.0°179.9°
CW4CW5CW6CW70.2°0.2°
CW5CW4CW3HW3178.7°180.0°
CW4CW5CW6HW6179.8°179.9°
CW5CW6CW7HW6180.0°179.8°
CW5CW6CW7HW7179.9°179.8°
CW6CW5CW4HW4179.7°180.0°
CW7CW6CW5HW5179.8°179.8°
NWCYOY1OY2179.2°180.0°
NWCYOY2CZ155.7°180.0°
CYNWCWHW179.6°35.0°
OY1CYOY2CZ25.2°0.0°
OY1CYNWHA0.4°180.0°
CYOY2CZCZ181.2°180.0°
OY2CYNWHA179.5°0.0°
CYOY2CZHZ1C158.9°60.0°
CYOY2CZHZ2C36.1°60.0°
OY2CZCZ1HZ1C120.0°120.0°
OY2CZCZ1HZ2C117.3°120.0°
OY2CZCZ1CZ294.9°90.0°
OY2CZCZ1CZ685.8°90.2°
OY2CZHZ1CHZ2C117.6°120.0°
CZCZ1CZ2CZ6179.3°179.8°
CZCZ1CZ2CZ3179.8°180.0°
CZCZ1CZ6CZ5179.8°179.8°
CZ1CZHZ1CHZ2C117.6°120.0°
CZCZ1CZ2HZ20.2°0.0°
CZCZ1CZ6HZ60.2°0.0°
CZ1CZ2CZ3HZ2180.0°179.9°
CZ1CZ2CZ3CZ40.0°0.0°
CZ2CZ1CZ6CZ50.5°0.4°
CZ2CZ1CZHZ1C145.1°30.0°
CZ2CZ1CZHZ2C22.4°150.1°
CZ2CZ1CZ6HZ6179.5°179.7°
CZ1CZ2CZ3HZ3180.0°180.0°
CZ6CZ1CZ2CZ30.4°0.2°
CZ1CZ6CZ5CZ40.1°0.4°
CZ1CZ6CZ5HZ6180.0°179.8°
CZ6CZ1CZHZ1C34.2°149.8°
CZ6CZ1CZHZ2C156.9°29.7°
CZ6CZ1CZ2HZ2179.6°179.7°
CZ1CZ6CZ5HZ5179.9°179.8°
CZ2CZ3CZ4HZ3180.0°180.0°
CZ2CZ3CZ4CZ50.4°0.0°
CZ2CZ3CZ4HZ4179.6°180.0°
CZ3CZ4CZ5HZ4180.0°180.0°
CZ3CZ4CZ5CZ60.3°0.2°
CZ4CZ3CZ2HZ2180.0°179.9°
CZ3CZ4CZ5HZ5179.7°180.0°
CZ4CZ5CZ6HZ5180.0°179.8°
CZ4CZ5CZ6HZ6179.9°179.7°
CZ5CZ4CZ3HZ3179.6°180.0°
CZ6CZ5CZ4HZ4179.7°179.8°
H2B1C2BC3BH3B1132.8°NaN°
H2B1C2BC3BH3B2108.1°60.0°
H2B2C2BC3BH3B111.7°60.1°
H2B2C2BC3BH3B2130.8°180.0°
HB6CB6CB5HB50.3°0.0°
HB2CB2CB3HB30.5°0.1°
HWCWCW1HW11161.3°175.0°
HWCWCW1HW1236.3°65.0°
HWCWNWHA0.4°145.0°
HW3CW3CW4HW41.3°0.0°
HW7CW7CW6HW60.1°0.0°
HW4CW4CW5HW50.3°0.1°
HW5CW5CW6HW60.2°0.0°
HZ2CZ2CZ3HZ30.0°0.0°
HZ6CZ6CZ5HZ50.1°0.0°
HZ3CZ3CZ4HZ40.4°0.1°
HZ4CZ4CZ5HZ50.3°0.0°

223790

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