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FP1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1N2sing1.42Å1.41Å
N2C6sing1.41Å1.17Å
C6C5doub1.35Å1.23Å
C5C4sing1.48Å1.38Å
C5N1sing1.42Å1.39Å
C4C3doub1.36Å1.36Å
C3C2sing1.46Å1.41Å
C2C1doub1.34Å1.41Å
C1N1sing1.38Å1.33Å
N1C7sing1.47Å1.48Å
O1H1sing0.97Å0.95Å
N2H2sing0.97Å1.00Å
C6H6sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C2HAsing1.08Å1.08Å
C1HBsing1.08Å1.08Å
C7H7C1sing1.09Å1.10Å
C7H7C2sing1.09Å1.10Å
C7H7C3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1N2C6107.0°120.0°
N2O1H1109.5°114.1°
O1N2H2110.3°120.0°
N2C6C5171.2°120.0°
C6N2H2110.3°120.0°
N2C6H694.4°120.0°
C6C5C4110.1°121.8°
C6C5N1121.5°121.8°
C5C6H694.4°120.0°
C4C5N1128.4°116.4°
C5C4C3115.7°117.2°
C5C4H4122.1°121.4°
C5N1C1116.9°117.4°
C5N1C7128.6°121.4°
C4C3C2116.0°119.4°
C3C4H4122.2°121.4°
C4C3H3122.0°120.3°
C3C2C1126.7°120.7°
C2C3H3122.0°120.4°
C3C2HA116.6°119.7°
C2C1N1116.2°119.6°
C1C2HA116.6°119.7°
C2C1HB121.9°120.2°
C1N1C7114.3°121.2°
N1C1HB121.9°120.2°
N1C7H7C1109.5°109.5°
N1C7H7C2109.5°109.4°
N1C7H7C3109.5°109.4°
H7C1C7H7C2109.4°109.5°
H7C1C7H7C3109.5°109.5°
H7C2C7H7C3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1N2C6H2120.0°180.0°
O1N2C6C512.2°173.9°
O1N2C6H6167.8°6.1°
N2C6C5H6180.0°180.0°
N2C6C5C4167.1°170.6°
N2C6C5N111.9°9.1°
C6N2O1H115.7°180.0°
C6C5C4N1178.9°179.7°
C6C5C4C3179.6°156.0°
C6C5N1C1179.0°143.1°
C6C5N1C72.9°37.1°
C5C6N2H2107.8°6.1°
C6C5C4H40.4°24.1°
C5C4C3H4180.0°180.0°
C5C4C3C21.0°0.3°
C4C5N1C12.2°36.6°
C4C5N1C7178.3°143.2°
C4C5C6H612.9°9.4°
C5C4C3H3179.0°179.8°
N1C5C4C30.7°23.7°
C5N1C1C21.8°24.7°
C5N1C1C7176.7°179.8°
N1C5C6H6168.2°170.9°
N1C5C4H4179.3°156.2°
C5N1C1HB178.3°155.0°
C5N1C7H7C1170.1°95.6°
C5N1C7H7C269.9°144.4°
C5N1C7H7C350.1°24.5°
C4C3C2H3180.0°180.0°
C4C3C2C11.3°12.9°
C4C3C2HA178.7°167.1°
C3C2C1HA180.0°180.0°
C3C2C1N10.2°0.2°
C2C3C4H4179.0°179.8°
C3C2C1HB179.8°179.9°
C2C1N1HB180.0°179.7°
C2C1N1C7178.4°155.1°
C1C2C3H3178.7°167.1°
N1C1C2HA179.9°179.8°
C1N1C7H7C113.7°84.2°
C1N1C7H7C2106.3°35.8°
C1N1C7H7C3133.7°155.7°
C7N1C1HB1.6°25.1°
N1C7H7C1H7C2120.0°120.0°
N1C7H7C1H7C3120.0°120.0°
N1C7H7C2H7C3120.0°119.9°
H1O1N2H2104.3°0.0°
H2N2C6H672.2°173.9°
H4C4C3H31.0°0.2°
H3C3C2HA1.3°12.8°
HAC2C1HB0.1°0.1°
H7C1C7H7C2H7C3120.0°120.1°

246704

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