A73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | CAO | doub | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAO | CAE | sing | 1.39Å | 1.37Å | Aromatic |
| CAR | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| OAH | CAD | doub | 1.22Å | 1.23Å | |
| CAE | CAD | sing | 1.48Å | 1.40Å | |
| CAE | CAF | doub | 1.40Å | 1.41Å | Aromatic |
| CAD | CAB | sing | 1.41Å | 1.38Å | |
| CAP | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | OAC | sing | 1.35Å | 1.36Å | |
| CAB | CAA | doub | 1.36Å | 1.40Å | |
| OAC | CAA | sing | 1.34Å | 1.35Å | |
| CAA | CAG | sing | 1.48Å | 1.40Å | |
| CAG | CAJ | doub | 1.40Å | 1.41Å | Aromatic |
| CAG | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | BR1 | sing | 1.89Å | 1.95Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAO | H2 | sing | 1.08Å | 1.08Å | |
| CAQ | H3 | sing | 1.08Å | 1.08Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAP | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAQ | CAR | 121.9° | 120.3° |
| CAQ | CAO | CAE | 120.3° | 119.5° |
| CAQ | CAO | H2 | 119.9° | 120.2° |
| CAO | CAQ | H3 | 119.1° | 119.8° |
| CAQ | CAR | CAP | 117.8° | 120.7° |
| CAR | CAQ | H3 | 119.1° | 119.9° |
| CAQ | CAR | H4 | 121.1° | 119.7° |
| CAO | CAE | CAD | 122.3° | 121.3° |
| CAO | CAE | CAF | 117.6° | 120.2° |
| CAE | CAO | H2 | 119.8° | 120.2° |
| CAR | CAP | CAF | 119.6° | 119.9° |
| CAP | CAR | H4 | 121.1° | 119.6° |
| CAR | CAP | H5 | 120.2° | 120.1° |
| OAH | CAD | CAE | 124.2° | 121.4° |
| OAH | CAD | CAB | 117.1° | 121.3° |
| CAD | CAE | CAF | 120.2° | 118.5° |
| CAE | CAD | CAB | 118.4° | 117.4° |
| CAE | CAF | CAP | 122.9° | 119.3° |
| CAE | CAF | OAC | 119.4° | 119.8° |
| CAD | CAB | CAA | 120.0° | 119.5° |
| CAD | CAB | H1 | 120.0° | 120.3° |
| CAP | CAF | OAC | 117.7° | 120.8° |
| CAF | CAP | H5 | 120.2° | 120.0° |
| CAF | OAC | CAA | 120.7° | 122.3° |
| CAB | CAA | OAC | 120.9° | 122.5° |
| CAB | CAA | CAG | 124.9° | 118.8° |
| CAA | CAB | H1 | 120.0° | 120.2° |
| OAC | CAA | CAG | 113.7° | 118.7° |
| CAA | CAG | CAJ | 122.3° | 120.1° |
| CAA | CAG | CAI | 118.1° | 120.1° |
| CAJ | CAG | CAI | 119.6° | 119.8° |
| CAG | CAJ | CAL | 120.9° | 119.8° |
| CAG | CAJ | H9 | 119.5° | 120.1° |
| CAG | CAI | CAM | 119.7° | 119.8° |
| CAG | CAI | H6 | 120.1° | 120.1° |
| CAJ | CAL | CAK | 119.0° | 120.2° |
| CAJ | CAL | H8 | 120.5° | 119.9° |
| CAL | CAJ | H9 | 119.5° | 120.1° |
| CAI | CAM | CAK | 120.0° | 120.1° |
| CAM | CAI | H6 | 120.2° | 120.0° |
| CAI | CAM | H7 | 120.0° | 119.9° |
| CAL | CAK | CAM | 120.7° | 120.3° |
| CAL | CAK | BR1 | 119.4° | 119.9° |
| CAK | CAL | H8 | 120.5° | 119.9° |
| CAM | CAK | BR1 | 119.9° | 119.8° |
| CAK | CAM | H7 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAQ | CAR | H3 | 180.0° | 180.0° |
| CAQ | CAO | CAE | H2 | 180.0° | 179.9° |
| CAO | CAQ | CAR | CAP | 0.7° | 0.0° |
| CAQ | CAO | CAE | CAD | 180.0° | 180.0° |
| CAQ | CAO | CAE | CAF | 0.2° | 0.0° |
| CAO | CAQ | CAR | H4 | 179.3° | 179.9° |
| CAR | CAQ | CAO | CAE | 0.1° | 0.0° |
| CAQ | CAR | CAP | H4 | 180.0° | 179.9° |
| CAQ | CAR | CAP | CAF | 1.6° | 0.1° |
| CAR | CAQ | CAO | H2 | 179.9° | 180.0° |
| CAQ | CAR | CAP | H5 | 178.4° | 180.0° |
| CAO | CAE | CAD | OAH | 7.7° | 0.0° |
| CAO | CAE | CAD | CAF | 179.8° | 179.9° |
| CAO | CAE | CAD | CAB | 178.5° | 179.9° |
| CAO | CAE | CAF | CAP | 1.1° | 0.1° |
| CAO | CAE | CAF | OAC | 177.6° | 180.0° |
| CAE | CAO | CAQ | H3 | 180.0° | 179.9° |
| CAR | CAP | CAF | CAE | 1.8° | 0.1° |
| CAR | CAP | CAF | H5 | 180.0° | 179.9° |
| CAR | CAP | CAF | OAC | 176.9° | 180.0° |
| CAP | CAR | CAQ | H3 | 179.3° | 179.9° |
| OAH | CAD | CAE | CAB | 173.8° | 180.0° |
| OAH | CAD | CAE | CAF | 172.5° | 180.0° |
| OAH | CAD | CAB | CAA | 178.0° | 180.0° |
| OAH | CAD | CAB | H1 | 2.0° | 0.3° |
| CAD | CAE | CAF | CAP | 179.1° | 180.0° |
| CAD | CAE | CAF | OAC | 2.2° | 0.1° |
| CAE | CAD | CAB | CAA | 3.8° | 0.0° |
| CAE | CAD | CAB | H1 | 176.2° | 179.7° |
| CAD | CAE | CAO | H2 | 0.0° | 0.1° |
| CAF | CAE | CAD | CAB | 1.2° | 0.0° |
| CAE | CAF | CAP | OAC | 178.8° | 179.9° |
| CAE | CAF | OAC | CAA | 2.1° | 0.1° |
| CAF | CAE | CAO | H2 | 179.8° | 180.0° |
| CAE | CAF | CAP | H5 | 178.2° | 180.0° |
| CAD | CAB | CAA | H1 | 180.0° | 179.7° |
| CAD | CAB | CAA | OAC | 8.1° | 0.0° |
| CAD | CAB | CAA | CAG | 179.1° | 179.7° |
| CAP | CAF | OAC | CAA | 176.7° | 179.9° |
| CAF | CAP | CAR | H4 | 178.4° | 180.0° |
| CAF | OAC | CAA | CAB | 7.2° | 0.1° |
| CAF | OAC | CAA | CAG | 179.2° | 179.7° |
| OAC | CAF | CAP | H5 | 3.1° | 0.1° |
| CAB | CAA | OAC | CAG | 171.9° | 179.8° |
| CAB | CAA | CAG | CAJ | 12.3° | 180.0° |
| CAB | CAA | CAG | CAI | 167.4° | 0.2° |
| OAC | CAA | CAG | CAJ | 176.2° | 0.2° |
| OAC | CAA | CAG | CAI | 4.2° | 180.0° |
| OAC | CAA | CAB | H1 | 171.8° | 179.7° |
| CAA | CAG | CAJ | CAI | 179.7° | 179.8° |
| CAA | CAG | CAJ | CAL | 180.0° | 179.7° |
| CAA | CAG | CAI | CAM | 179.9° | 180.0° |
| CAG | CAA | CAB | H1 | 0.9° | 0.0° |
| CAA | CAG | CAI | H6 | 0.1° | 0.0° |
| CAA | CAG | CAJ | H9 | 0.1° | 0.0° |
| CAG | CAJ | CAL | H9 | 180.0° | 179.7° |
| CAJ | CAG | CAI | CAM | 0.2° | 0.2° |
| CAG | CAJ | CAL | CAK | 0.6° | 0.5° |
| CAJ | CAG | CAI | H6 | 179.8° | 179.7° |
| CAG | CAJ | CAL | H8 | 179.4° | 179.7° |
| CAI | CAG | CAJ | CAL | 0.4° | 0.5° |
| CAG | CAI | CAM | H6 | 180.0° | 180.0° |
| CAG | CAI | CAM | CAK | 0.3° | 0.0° |
| CAG | CAI | CAM | H7 | 179.7° | 180.0° |
| CAI | CAG | CAJ | H9 | 179.6° | 179.8° |
| CAJ | CAL | CAK | H8 | 180.0° | 179.7° |
| CAJ | CAL | CAK | CAM | 0.7° | 0.2° |
| CAJ | CAL | CAK | BR1 | 178.6° | 179.7° |
| CAI | CAM | CAK | CAL | 0.6° | 0.0° |
| CAI | CAM | CAK | H7 | 180.0° | 180.0° |
| CAI | CAM | CAK | BR1 | 178.7° | 180.0° |
| CAL | CAK | CAM | BR1 | 179.3° | 180.0° |
| CAL | CAK | CAM | H7 | 179.4° | 180.0° |
| CAK | CAL | CAJ | H9 | 179.4° | 179.8° |
| CAK | CAM | CAI | H6 | 179.7° | 180.0° |
| CAM | CAK | CAL | H8 | 179.3° | 180.0° |
| BR1 | CAK | CAM | H7 | 1.3° | 0.0° |
| BR1 | CAK | CAL | H8 | 1.4° | 0.0° |
| H2 | CAO | CAQ | H3 | 0.1° | 0.0° |
| H3 | CAQ | CAR | H4 | 0.7° | 0.0° |
| H4 | CAR | CAP | H5 | 1.6° | 0.1° |
| H6 | CAI | CAM | H7 | 0.4° | 0.0° |
| H8 | CAL | CAJ | H9 | 0.6° | 0.0° |
