0F9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAG | sing | 1.39Å | 1.38Å | Aromatic |
OAM | CAG | sing | 1.36Å | 1.40Å | |
CAI | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
CAG | CAA | doub | 1.40Å | 1.38Å | Aromatic |
CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CL1 | sing | 1.74Å | 1.75Å | |
CAA | CAK | sing | 1.39Å | 1.39Å | Aromatic |
CAA | CAB | sing | 1.48Å | 1.36Å | |
NAF | CAB | doub | 1.32Å | 1.34Å | Aromatic |
NAF | NAE | sing | 1.40Å | 1.46Å | Aromatic |
CAB | CAC | sing | 1.41Å | 1.36Å | Aromatic |
NAE | CAD | sing | 1.35Å | 1.35Å | Aromatic |
CAC | CAD | doub | 1.35Å | 1.36Å | Aromatic |
CAC | H1 | sing | 1.08Å | 1.08Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
NAE | H3 | sing | 0.97Å | 1.00Å | |
CAK | H4 | sing | 1.08Å | 1.08Å | |
CAI | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.08Å | 1.08Å | |
OAM | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAI | CAH | CAG | 123.2° | 120.1° |
CAH | CAI | CAJ | 115.9° | 120.3° |
CAH | CAI | H5 | 122.0° | 119.9° |
CAI | CAH | H6 | 118.4° | 120.0° |
CAH | CAG | OAM | 122.8° | 120.1° |
CAH | CAG | CAA | 120.1° | 119.8° |
CAG | CAH | H6 | 118.4° | 120.0° |
OAM | CAG | CAA | 117.0° | 120.1° |
CAG | OAM | H7 | 109.5° | 113.9° |
CAI | CAJ | CAK | 121.5° | 120.2° |
CAI | CAJ | CL1 | 120.3° | 119.9° |
CAJ | CAI | H5 | 122.1° | 119.9° |
CAG | CAA | CAK | 117.2° | 119.7° |
CAG | CAA | CAB | 122.5° | 120.2° |
CAK | CAJ | CL1 | 118.2° | 119.9° |
CAJ | CAK | CAA | 122.0° | 119.9° |
CAJ | CAK | H4 | 119.0° | 120.0° |
CAK | CAA | CAB | 120.3° | 120.2° |
CAA | CAK | H4 | 119.0° | 120.0° |
CAA | CAB | NAF | 123.8° | 126.0° |
CAA | CAB | CAC | 126.7° | 126.0° |
CAB | NAF | NAE | 106.4° | 108.1° |
NAF | CAB | CAC | 109.5° | 107.9° |
NAF | NAE | CAD | 106.3° | 108.1° |
NAF | NAE | H3 | 126.8° | 125.9° |
CAB | CAC | CAD | 108.7° | 107.9° |
CAB | CAC | H1 | 125.6° | 126.1° |
NAE | CAD | CAC | 109.0° | 108.0° |
NAE | CAD | H2 | 125.5° | 126.0° |
CAD | NAE | H3 | 126.9° | 125.9° |
CAD | CAC | H1 | 125.6° | 126.1° |
CAC | CAD | H2 | 125.5° | 126.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAI | CAH | CAG | H6 | 180.0° | 179.7° |
CAI | CAH | CAG | OAM | 178.8° | 180.0° |
CAH | CAI | CAJ | H5 | 180.0° | 179.9° |
CAI | CAH | CAG | CAA | 2.6° | 0.6° |
CAH | CAI | CAJ | CAK | 0.8° | 0.0° |
CAH | CAI | CAJ | CL1 | 177.7° | 180.0° |
CAH | CAG | OAM | CAA | 176.3° | 179.4° |
CAG | CAH | CAI | CAJ | 2.0° | 0.3° |
CAH | CAG | CAA | CAK | 2.0° | 0.5° |
CAH | CAG | CAA | CAB | 179.3° | 179.7° |
CAG | CAH | CAI | H5 | 178.0° | 179.7° |
CAH | CAG | OAM | H7 | 180.0° | 90.0° |
OAM | CAG | CAA | CAK | 178.4° | 179.9° |
OAM | CAG | CAA | CAB | 2.9° | 0.3° |
OAM | CAG | CAH | H6 | 1.2° | 0.3° |
CAI | CAJ | CAK | CL1 | 177.0° | 180.0° |
CAI | CAJ | CAK | CAA | 0.4° | 0.0° |
CAI | CAJ | CAK | H4 | 179.6° | 180.0° |
CAJ | CAI | CAH | H6 | 178.0° | 180.0° |
CAG | CAA | CAK | CAJ | 0.9° | 0.2° |
CAG | CAA | CAK | CAB | 178.7° | 179.8° |
CAG | CAA | CAB | NAF | 0.5° | 0.2° |
CAG | CAA | CAB | CAC | 179.2° | 179.2° |
CAG | CAA | CAK | H4 | 179.1° | 179.7° |
CAA | CAG | CAH | H6 | 177.4° | 179.7° |
CAA | CAG | OAM | H7 | 3.7° | 90.6° |
CAJ | CAK | CAA | H4 | 180.0° | 180.0° |
CAJ | CAK | CAA | CAB | 179.7° | 180.0° |
CAK | CAJ | CAI | H5 | 179.2° | 180.0° |
CL1 | CAJ | CAK | CAA | 177.4° | 180.0° |
CL1 | CAJ | CAK | H4 | 2.6° | 0.0° |
CL1 | CAJ | CAI | H5 | 2.3° | 0.0° |
CAK | CAA | CAB | NAF | 178.2° | 180.0° |
CAK | CAA | CAB | CAC | 0.6° | 0.5° |
CAA | CAB | NAF | CAC | 178.9° | 179.6° |
CAA | CAB | NAF | NAE | 177.0° | 180.0° |
CAA | CAB | CAC | CAD | 178.2° | 180.0° |
CAA | CAB | CAC | H1 | 1.9° | 0.3° |
CAB | CAA | CAK | H4 | 0.3° | 0.1° |
CAB | NAF | NAE | CAD | 2.5° | 0.3° |
NAF | CAB | CAC | CAD | 0.7° | 0.5° |
NAF | CAB | CAC | H1 | 179.2° | 179.8° |
CAB | NAF | NAE | H3 | 177.5° | 179.7° |
NAE | NAF | CAB | CAC | 2.0° | 0.5° |
NAF | NAE | CAD | H3 | 180.0° | 180.0° |
NAF | NAE | CAD | CAC | 2.1° | 0.0° |
NAF | NAE | CAD | H2 | 177.8° | 179.9° |
CAB | CAC | CAD | NAE | 1.0° | 0.3° |
CAB | CAC | CAD | H1 | 180.0° | 179.7° |
CAB | CAC | CAD | H2 | 179.0° | 179.8° |
NAE | CAD | CAC | H2 | 180.0° | 179.9° |
NAE | CAD | CAC | H1 | 179.1° | 179.9° |
CAC | CAD | NAE | H3 | 177.9° | 180.0° |
H1 | CAC | CAD | H2 | 1.0° | 0.1° |
H2 | CAD | NAE | H3 | 2.2° | 0.0° |
H5 | CAI | CAH | H6 | 2.0° | 0.0° |