0OO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CAD | doub | 1.38Å | 1.40Å | Aromatic |
CAB | CAC | sing | 1.38Å | 1.40Å | Aromatic |
CAD | CAH | sing | 1.38Å | 1.40Å | Aromatic |
CAC | CAG | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAN | doub | 1.39Å | 1.41Å | Aromatic |
CAG | CAN | sing | 1.39Å | 1.41Å | Aromatic |
CAN | OAL | sing | 1.36Å | 1.39Å | |
CAI | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAI | CAO | sing | 1.39Å | 1.40Å | Aromatic |
OAL | CAO | sing | 1.36Å | 1.39Å | |
CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
CAO | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
CAF | CAM | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAM | sing | 1.38Å | 1.40Å | Aromatic |
CAM | CAK | sing | 1.51Å | 1.54Å | |
CAK | OAA | sing | 1.43Å | 1.43Å | |
CAG | H1 | sing | 1.08Å | 1.08Å | |
CAC | H2 | sing | 1.08Å | 1.08Å | |
CAB | H3 | sing | 1.08Å | 1.08Å | |
CAD | H4 | sing | 1.08Å | 1.08Å | |
CAH | H5 | sing | 1.08Å | 1.08Å | |
CAJ | H6 | sing | 1.08Å | 1.08Å | |
CAI | H7 | sing | 1.08Å | 1.08Å | |
CAE | H8 | sing | 1.08Å | 1.08Å | |
CAF | H9 | sing | 1.08Å | 1.08Å | |
CAK | H10 | sing | 1.09Å | 1.10Å | |
CAK | H11 | sing | 1.09Å | 1.10Å | |
OAA | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAD | CAB | CAC | 120.7° | 120.1° |
CAB | CAD | CAH | 119.6° | 120.0° |
CAD | CAB | H3 | 119.7° | 119.9° |
CAB | CAD | H4 | 120.2° | 120.0° |
CAB | CAC | CAG | 119.2° | 120.1° |
CAB | CAC | H2 | 120.4° | 120.0° |
CAC | CAB | H3 | 119.6° | 119.9° |
CAD | CAH | CAN | 120.5° | 120.0° |
CAH | CAD | H4 | 120.2° | 119.9° |
CAD | CAH | H5 | 119.8° | 120.0° |
CAC | CAG | CAN | 120.7° | 119.9° |
CAC | CAG | H1 | 119.7° | 120.0° |
CAG | CAC | H2 | 120.4° | 119.9° |
CAH | CAN | CAG | 119.2° | 119.9° |
CAH | CAN | OAL | 120.0° | 120.1° |
CAN | CAH | H5 | 119.7° | 120.0° |
CAG | CAN | OAL | 120.8° | 120.0° |
CAN | CAG | H1 | 119.6° | 120.1° |
CAN | OAL | CAO | 123.0° | 118.0° |
CAE | CAI | CAO | 120.5° | 119.9° |
CAI | CAE | CAF | 120.7° | 120.0° |
CAE | CAI | H7 | 119.7° | 120.0° |
CAI | CAE | H8 | 119.6° | 120.0° |
CAI | CAO | OAL | 122.9° | 120.0° |
CAI | CAO | CAJ | 118.6° | 119.9° |
CAO | CAI | H7 | 119.8° | 120.0° |
OAL | CAO | CAJ | 118.5° | 120.1° |
CAE | CAF | CAM | 119.4° | 120.1° |
CAF | CAE | H8 | 119.6° | 120.0° |
CAE | CAF | H9 | 120.3° | 119.9° |
CAO | CAJ | CAM | 121.2° | 120.0° |
CAO | CAJ | H6 | 119.4° | 120.0° |
CAF | CAM | CAJ | 119.6° | 120.1° |
CAF | CAM | CAK | 120.4° | 120.0° |
CAM | CAF | H9 | 120.3° | 120.0° |
CAJ | CAM | CAK | 120.0° | 120.0° |
CAM | CAJ | H6 | 119.4° | 120.0° |
CAM | CAK | OAA | 112.3° | 109.5° |
CAM | CAK | H10 | 108.7° | 109.4° |
CAM | CAK | H11 | 108.8° | 109.5° |
OAA | CAK | H10 | 108.8° | 109.4° |
OAA | CAK | H11 | 108.8° | 109.5° |
CAK | OAA | H12 | 109.5° | 114.0° |
H10 | CAK | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAD | CAB | CAC | H3 | 180.0° | 179.9° |
CAB | CAD | CAH | H4 | 180.0° | 179.9° |
CAD | CAB | CAC | CAG | 0.1° | 0.0° |
CAB | CAD | CAH | CAN | 0.4° | 0.0° |
CAD | CAB | CAC | H2 | 179.9° | 179.9° |
CAB | CAD | CAH | H5 | 179.7° | 180.0° |
CAC | CAB | CAD | CAH | 0.4° | 0.1° |
CAB | CAC | CAG | H2 | 180.0° | 179.9° |
CAB | CAC | CAG | CAN | 0.9° | 0.0° |
CAB | CAC | CAG | H1 | 179.1° | 179.8° |
CAC | CAB | CAD | H4 | 179.6° | 180.0° |
CAD | CAH | CAN | H5 | 180.0° | 180.0° |
CAD | CAH | CAN | CAG | 1.3° | 0.0° |
CAD | CAH | CAN | OAL | 179.3° | 179.7° |
CAH | CAD | CAB | H3 | 179.6° | 180.0° |
CAC | CAG | CAN | CAH | 1.6° | 0.0° |
CAC | CAG | CAN | H1 | 180.0° | 179.7° |
CAC | CAG | CAN | OAL | 179.5° | 179.7° |
CAG | CAC | CAB | H3 | 179.9° | 179.9° |
CAH | CAN | CAG | OAL | 178.0° | 179.7° |
CAH | CAN | OAL | CAO | 101.1° | 112.8° |
CAH | CAN | CAG | H1 | 178.4° | 179.8° |
CAN | CAH | CAD | H4 | 179.6° | 180.0° |
CAG | CAN | OAL | CAO | 80.9° | 67.5° |
CAN | CAG | CAC | H2 | 179.1° | 180.0° |
CAG | CAN | CAH | H5 | 178.7° | 180.0° |
CAN | OAL | CAO | CAI | 6.0° | 174.2° |
CAN | OAL | CAO | CAJ | 174.2° | 6.1° |
OAL | CAN | CAG | H1 | 0.5° | 0.0° |
OAL | CAN | CAH | H5 | 0.7° | 0.3° |
CAE | CAI | CAO | H7 | 180.0° | 180.0° |
CAE | CAI | CAO | OAL | 180.0° | 180.0° |
CAI | CAE | CAF | H8 | 180.0° | 180.0° |
CAE | CAI | CAO | CAJ | 0.1° | 0.2° |
CAI | CAE | CAF | CAM | 0.3° | 0.3° |
CAI | CAE | CAF | H9 | 179.8° | 180.0° |
CAI | CAO | OAL | CAJ | 179.9° | 179.8° |
CAO | CAI | CAE | CAF | 0.2° | 0.0° |
CAI | CAO | CAJ | CAM | 0.0° | 0.2° |
CAI | CAO | CAJ | H6 | 180.0° | 179.8° |
CAO | CAI | CAE | H8 | 179.8° | 180.0° |
OAL | CAO | CAJ | CAM | 179.9° | 180.0° |
OAL | CAO | CAJ | H6 | 0.1° | 0.0° |
OAL | CAO | CAI | H7 | 0.1° | 0.1° |
CAE | CAF | CAM | H9 | 180.0° | 179.7° |
CAE | CAF | CAM | CAJ | 0.2° | 0.3° |
CAE | CAF | CAM | CAK | 179.8° | 179.7° |
CAF | CAE | CAI | H7 | 179.8° | 180.0° |
CAO | CAJ | CAM | CAF | 0.1° | 0.0° |
CAO | CAJ | CAM | H6 | 180.0° | 180.0° |
CAO | CAJ | CAM | CAK | 180.0° | 180.0° |
CAJ | CAO | CAI | H7 | 179.9° | 179.7° |
CAF | CAM | CAJ | CAK | 179.9° | 180.0° |
CAF | CAM | CAK | OAA | 0.9° | 90.0° |
CAF | CAM | CAJ | H6 | 179.9° | 180.0° |
CAM | CAF | CAE | H8 | 179.7° | 179.7° |
CAF | CAM | CAK | H10 | 119.5° | 30.0° |
CAF | CAM | CAK | H11 | 121.4° | 150.0° |
CAJ | CAM | CAK | OAA | 179.0° | 90.0° |
CAJ | CAM | CAF | H9 | 179.8° | 180.0° |
CAJ | CAM | CAK | H10 | 60.6° | 150.0° |
CAJ | CAM | CAK | H11 | 58.6° | 30.0° |
CAM | CAK | OAA | H10 | 120.4° | 119.9° |
CAM | CAK | OAA | H11 | 120.4° | 120.1° |
CAK | CAM | CAJ | H6 | 0.0° | 0.1° |
CAK | CAM | CAF | H9 | 0.1° | 0.0° |
CAM | CAK | H10 | H11 | 118.7° | 120.0° |
CAM | CAK | OAA | H12 | 180.0° | 180.0° |
OAA | CAK | H10 | H11 | 118.7° | 120.0° |
H1 | CAG | CAC | H2 | 0.9° | 0.3° |
H2 | CAC | CAB | H3 | 0.1° | 0.0° |
H3 | CAB | CAD | H4 | 0.4° | 0.1° |
H4 | CAD | CAH | H5 | 0.3° | 0.0° |
H7 | CAI | CAE | H8 | 0.2° | 0.0° |
H8 | CAE | CAF | H9 | 0.2° | 0.1° |
H10 | CAK | OAA | H12 | 59.6° | 60.1° |
H11 | CAK | OAA | H12 | 59.6° | 59.9° |