0FO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAE | doub | 1.22Å | 1.24Å | |
| OAF | CAE | sing | 1.34Å | 1.36Å | |
| OAF | CAA | sing | 1.35Å | 1.36Å | |
| CAL | CAA | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.37Å | Aromatic |
| CAE | CAD | sing | 1.40Å | 1.40Å | |
| CAA | CAB | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.37Å | 1.39Å | |
| CAB | CAC | sing | 1.47Å | 1.42Å | |
| CAB | CAI | doub | 1.40Å | 1.38Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | BR1 | sing | 1.89Å | 1.77Å | |
| CAC | OAH | sing | 1.35Å | 1.31Å | |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| OAH | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAE | OAF | 118.0° | 119.0° |
| OAG | CAE | CAD | 120.4° | 119.1° |
| CAE | OAF | CAA | 124.1° | 121.6° |
| OAF | CAE | CAD | 121.6° | 121.9° |
| OAF | CAA | CAL | 116.2° | 120.7° |
| OAF | CAA | CAB | 117.0° | 119.8° |
| CAA | CAL | CAK | 118.1° | 119.9° |
| CAL | CAA | CAB | 126.6° | 119.5° |
| CAA | CAL | H2 | 120.9° | 120.0° |
| CAL | CAK | CAJ | 115.8° | 120.6° |
| CAK | CAL | H2 | 120.9° | 120.0° |
| CAL | CAK | H3 | 122.1° | 119.7° |
| CAE | CAD | CAC | 114.7° | 119.7° |
| CAE | CAD | H1 | 122.7° | 120.1° |
| CAA | CAB | CAC | 119.0° | 118.9° |
| CAA | CAB | CAI | 115.9° | 120.0° |
| CAK | CAJ | CAI | 126.0° | 120.3° |
| CAK | CAJ | BR1 | 116.8° | 119.8° |
| CAJ | CAK | H3 | 122.1° | 119.7° |
| CAD | CAC | CAB | 123.3° | 118.0° |
| CAD | CAC | OAH | 116.9° | 121.0° |
| CAC | CAD | H1 | 122.6° | 120.2° |
| CAC | CAB | CAI | 125.1° | 121.1° |
| CAB | CAC | OAH | 119.6° | 121.0° |
| CAB | CAI | CAJ | 117.4° | 119.6° |
| CAB | CAI | H4 | 121.3° | 120.2° |
| CAI | CAJ | BR1 | 116.8° | 119.9° |
| CAJ | CAI | H4 | 121.3° | 120.2° |
| CAC | OAH | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAE | OAF | CAD | 179.0° | 179.9° |
| OAG | CAE | OAF | CAA | 177.6° | 179.9° |
| OAG | CAE | CAD | CAC | 177.3° | 179.9° |
| OAG | CAE | CAD | H1 | 2.7° | 0.2° |
| CAE | OAF | CAA | CAL | 179.1° | 180.0° |
| CAE | OAF | CAA | CAB | 6.0° | 0.0° |
| OAF | CAE | CAD | CAC | 3.7° | 0.0° |
| OAF | CAE | CAD | H1 | 176.3° | 179.7° |
| OAF | CAA | CAL | CAB | 174.3° | 180.0° |
| OAF | CAA | CAL | CAK | 175.9° | 180.0° |
| CAA | OAF | CAE | CAD | 1.4° | 0.0° |
| OAF | CAA | CAB | CAC | 5.3° | 0.0° |
| OAF | CAA | CAB | CAI | 178.4° | 180.0° |
| OAF | CAA | CAL | H2 | 4.1° | 0.1° |
| CAA | CAL | CAK | H2 | 180.0° | 179.9° |
| CAA | CAL | CAK | CAJ | 3.1° | 0.0° |
| CAL | CAA | CAB | CAC | 179.6° | 180.0° |
| CAL | CAA | CAB | CAI | 4.0° | 0.1° |
| CAA | CAL | CAK | H3 | 176.8° | 180.0° |
| CAK | CAL | CAA | CAB | 1.6° | 0.0° |
| CAL | CAK | CAJ | H3 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAI | 5.7° | 0.0° |
| CAL | CAK | CAJ | BR1 | 178.3° | 180.0° |
| CAE | CAD | CAC | H1 | 180.0° | 179.7° |
| CAE | CAD | CAC | CAB | 4.2° | 0.0° |
| CAE | CAD | CAC | OAH | 179.0° | 179.7° |
| CAA | CAB | CAC | CAD | 0.2° | 0.0° |
| CAA | CAB | CAC | CAI | 176.0° | 180.0° |
| CAA | CAB | CAI | CAJ | 1.6° | 0.1° |
| CAA | CAB | CAC | OAH | 176.5° | 179.7° |
| CAB | CAA | CAL | H2 | 178.4° | 180.0° |
| CAA | CAB | CAI | H4 | 178.4° | 180.0° |
| CAK | CAJ | CAI | CAB | 3.3° | 0.0° |
| CAK | CAJ | CAI | BR1 | 172.6° | 180.0° |
| CAJ | CAK | CAL | H2 | 176.8° | 179.9° |
| CAK | CAJ | CAI | H4 | 176.7° | 180.0° |
| CAD | CAC | CAB | OAH | 176.7° | 179.7° |
| CAD | CAC | CAB | CAI | 176.2° | 179.9° |
| CAD | CAC | OAH | H5 | 180.0° | 0.0° |
| CAC | CAB | CAI | CAJ | 177.7° | 180.0° |
| CAB | CAC | CAD | H1 | 175.8° | 179.7° |
| CAC | CAB | CAI | H4 | 2.3° | 0.0° |
| CAB | CAC | OAH | H5 | 3.1° | 179.7° |
| CAB | CAI | CAJ | H4 | 180.0° | 179.9° |
| CAB | CAI | CAJ | BR1 | 175.9° | 180.0° |
| CAI | CAB | CAC | OAH | 0.5° | 0.3° |
| CAI | CAJ | CAK | H3 | 174.2° | 180.0° |
| BR1 | CAJ | CAK | H3 | 1.7° | 0.0° |
| BR1 | CAJ | CAI | H4 | 4.2° | 0.0° |
| OAH | CAC | CAD | H1 | 1.0° | 0.0° |
| H2 | CAL | CAK | H3 | 3.2° | 0.1° |
