3O7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAX | sing | 1.36Å | 1.41Å | |
| OAB | CBB | doub | 1.22Å | 1.36Å | |
| O1 | CAZ | sing | 1.36Å | 1.39Å | |
| CAX | CAH | doub | 1.39Å | 1.38Å | Aromatic |
| CAX | CBD | sing | 1.40Å | 1.46Å | Aromatic |
| CBB | CBD | sing | 1.48Å | 1.51Å | |
| CBB | CBF | sing | 1.48Å | 1.52Å | |
| CAH | CAG | sing | 1.38Å | 1.34Å | Aromatic |
| CBD | CBC | doub | 1.41Å | 1.44Å | Aromatic |
| CAZ | CBF | doub | 1.40Å | 1.45Å | Aromatic |
| CAZ | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CBF | CBE | sing | 1.41Å | 1.44Å | Aromatic |
| CAG | CAW | doub | 1.39Å | 1.35Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.34Å | Aromatic |
| CBC | CAW | sing | 1.40Å | 1.43Å | Aromatic |
| CBC | CBA | sing | 1.48Å | 1.52Å | |
| CAW | OAE | sing | 1.36Å | 1.38Å | |
| CBE | CBA | sing | 1.48Å | 1.52Å | |
| CBE | CAY | doub | 1.40Å | 1.43Å | Aromatic |
| CBA | OAA | doub | 1.22Å | 1.39Å | |
| CAI | CAY | sing | 1.39Å | 1.37Å | Aromatic |
| CAY | O2 | sing | 1.36Å | 1.39Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| OAE | H7 | sing | 0.97Å | 0.95Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| OAF | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAX | CAH | 116.6° | 120.1° |
| OAF | CAX | CBD | 125.4° | 120.1° |
| CAX | OAF | H10 | 109.5° | 114.0° |
| OAB | CBB | CBD | 117.2° | 120.4° |
| OAB | CBB | CBF | 118.7° | 120.4° |
| O1 | CAZ | CBF | 123.8° | 120.2° |
| O1 | CAZ | CAJ | 116.1° | 120.1° |
| CAZ | O1 | H6 | 109.5° | 114.0° |
| CAH | CAX | CBD | 117.9° | 119.8° |
| CAX | CAH | CAG | 123.9° | 120.5° |
| CAX | CAH | H9 | 118.1° | 119.7° |
| CAX | CBD | CBB | 125.5° | 120.6° |
| CAX | CBD | CBC | 117.5° | 119.7° |
| CBD | CBB | CBF | 124.2° | 119.2° |
| CBB | CBD | CBC | 117.0° | 119.7° |
| CBB | CBF | CAZ | 125.9° | 120.6° |
| CBB | CBF | CBE | 118.0° | 119.7° |
| CAH | CAG | CAW | 120.8° | 120.5° |
| CAH | CAG | H8 | 119.6° | 119.8° |
| CAG | CAH | H9 | 118.0° | 119.7° |
| CBD | CBC | CAW | 118.9° | 119.7° |
| CBD | CBC | CBA | 120.0° | 119.7° |
| CBF | CAZ | CAJ | 120.1° | 119.8° |
| CAZ | CBF | CBE | 116.0° | 119.7° |
| CAZ | CAJ | CAI | 123.4° | 120.5° |
| CAZ | CAJ | H3 | 118.3° | 119.7° |
| CBF | CBE | CBA | 118.9° | 119.7° |
| CBF | CBE | CAY | 119.3° | 119.7° |
| CAG | CAW | CBC | 121.0° | 119.8° |
| CAG | CAW | OAE | 117.5° | 120.1° |
| CAW | CAG | H8 | 119.6° | 119.7° |
| CAJ | CAI | CAY | 120.0° | 120.5° |
| CAJ | CAI | H2 | 120.0° | 119.7° |
| CAI | CAJ | H3 | 118.3° | 119.8° |
| CAW | CBC | CBA | 121.1° | 120.6° |
| CBC | CAW | OAE | 121.5° | 120.2° |
| CBC | CBA | CBE | 121.8° | 119.2° |
| CBC | CBA | OAA | 118.9° | 120.4° |
| CAW | OAE | H7 | 109.5° | 114.0° |
| CBA | CBE | CAY | 121.8° | 120.6° |
| CBE | CBA | OAA | 119.3° | 120.4° |
| CBE | CAY | CAI | 121.2° | 119.8° |
| CBE | CAY | O2 | 119.9° | 120.1° |
| CAI | CAY | O2 | 118.9° | 120.1° |
| CAY | CAI | H2 | 120.0° | 119.7° |
| CAY | O2 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAX | CAH | CBD | 179.0° | 179.9° |
| OAF | CAX | CBD | CBB | 1.1° | 0.0° |
| OAF | CAX | CAH | CAG | 178.2° | 180.0° |
| OAF | CAX | CBD | CBC | 178.4° | 180.0° |
| OAF | CAX | CAH | H9 | 1.7° | 0.0° |
| OAB | CBB | CBD | CAX | 0.3° | 13.7° |
| OAB | CBB | CBD | CBF | 179.8° | 180.0° |
| OAB | CBB | CBD | CBC | 179.8° | 166.3° |
| OAB | CBB | CBF | CAZ | 0.1° | 13.8° |
| OAB | CBB | CBF | CBE | 179.8° | 166.3° |
| O1 | CAZ | CBF | CBB | 0.3° | 0.0° |
| O1 | CAZ | CBF | CAJ | 180.0° | 179.8° |
| O1 | CAZ | CBF | CBE | 180.0° | 180.0° |
| O1 | CAZ | CAJ | CAI | 180.0° | 180.0° |
| O1 | CAZ | CAJ | H3 | 0.0° | 0.0° |
| CAH | CAX | CBD | CBB | 179.9° | 179.9° |
| CAX | CAH | CAG | H9 | 180.0° | 180.0° |
| CAH | CAX | CBD | CBC | 0.4° | 0.1° |
| CAX | CAH | CAG | CAW | 0.4° | 0.0° |
| CAX | CAH | CAG | H8 | 179.5° | 179.9° |
| CAH | CAX | OAF | H10 | 180.0° | 90.0° |
| CAX | CBD | CBB | CBC | 179.5° | 180.0° |
| CAX | CBD | CBB | CBF | 179.9° | 166.3° |
| CBD | CAX | CAH | CAG | 0.7° | 0.0° |
| CAX | CBD | CBC | CAW | 0.1° | 0.1° |
| CAX | CBD | CBC | CBA | 179.8° | 180.0° |
| CBD | CAX | CAH | H9 | 179.3° | 179.9° |
| CBD | CAX | OAF | H10 | 1.1° | 89.9° |
| CBD | CBB | CBF | CAZ | 179.9° | 166.3° |
| CBD | CBB | CBF | CBE | 0.4° | 13.7° |
| CBB | CBD | CBC | CAW | 179.5° | 179.9° |
| CBB | CBD | CBC | CBA | 0.2° | 0.0° |
| CBF | CBB | CBD | CBC | 0.4° | 13.7° |
| CBB | CBF | CAZ | CBE | 179.7° | 179.9° |
| CBB | CBF | CAZ | CAJ | 179.7° | 179.8° |
| CBB | CBF | CBE | CBA | 0.2° | 0.0° |
| CBB | CBF | CBE | CAY | 179.5° | 180.0° |
| CAH | CAG | CAW | H8 | 180.0° | 179.9° |
| CAH | CAG | CAW | CBC | 0.1° | 0.1° |
| CAH | CAG | CAW | OAE | 179.7° | 180.0° |
| CBD | CBC | CAW | CAG | 0.3° | 0.0° |
| CBD | CBC | CAW | CBA | 179.7° | 179.9° |
| CBD | CBC | CAW | OAE | 179.5° | 180.0° |
| CBD | CBC | CBA | CBE | 0.0° | 13.7° |
| CBD | CBC | CBA | OAA | 179.8° | 166.3° |
| CBF | CAZ | CAJ | CAI | 0.0° | 0.2° |
| CAZ | CBF | CBE | CBA | 179.9° | 179.9° |
| CAZ | CBF | CBE | CAY | 0.2° | 0.1° |
| CBF | CAZ | CAJ | H3 | 180.0° | 179.8° |
| CBF | CAZ | O1 | H6 | 0.2° | 90.0° |
| CAJ | CAZ | CBF | CBE | 0.0° | 0.3° |
| CAZ | CAJ | CAI | H3 | 180.0° | 180.0° |
| CAZ | CAJ | CAI | CAY | 0.2° | 0.0° |
| CAZ | CAJ | CAI | H2 | 179.8° | 180.0° |
| CAJ | CAZ | O1 | H6 | 179.8° | 90.2° |
| CBF | CBE | CBA | CBC | 0.0° | 13.7° |
| CBF | CBE | CBA | CAY | 179.7° | 180.0° |
| CBF | CBE | CBA | OAA | 179.8° | 166.3° |
| CBF | CBE | CAY | CAI | 0.5° | 0.2° |
| CBF | CBE | CAY | O2 | 179.5° | 180.0° |
| CAG | CAW | CBC | OAE | 179.8° | 180.0° |
| CAG | CAW | CBC | CBA | 180.0° | 179.9° |
| CAG | CAW | OAE | H7 | 179.9° | 90.0° |
| CAW | CAG | CAH | H9 | 179.6° | 180.0° |
| CAJ | CAI | CAY | CBE | 0.5° | 0.3° |
| CAJ | CAI | CAY | H2 | 180.0° | 179.9° |
| CAJ | CAI | CAY | O2 | 179.5° | 180.0° |
| CAW | CBC | CBA | CBE | 179.6° | 166.3° |
| CAW | CBC | CBA | OAA | 0.1° | 13.8° |
| CBC | CAW | OAE | H7 | 0.2° | 90.0° |
| CBC | CAW | CAG | H8 | 179.9° | 179.9° |
| CBA | CBC | CAW | OAE | 0.2° | 0.0° |
| CBC | CBA | CBE | OAA | 179.8° | 180.0° |
| CBC | CBA | CBE | CAY | 179.6° | 166.3° |
| OAE | CAW | CAG | H8 | 0.2° | 0.1° |
| CBA | CBE | CAY | CAI | 179.8° | 179.8° |
| CBA | CBE | CAY | O2 | 0.2° | 0.0° |
| CAY | CBE | CBA | OAA | 0.1° | 13.7° |
| CBE | CAY | CAI | O2 | 180.0° | 179.8° |
| CBE | CAY | O2 | H1 | 0.2° | 90.2° |
| CBE | CAY | CAI | H2 | 179.5° | 179.8° |
| CAI | CAY | O2 | H1 | 179.8° | 90.0° |
| CAY | CAI | CAJ | H3 | 179.7° | 180.0° |
| O2 | CAY | CAI | H2 | 0.5° | 0.0° |
| H2 | CAI | CAJ | H3 | 0.3° | 0.0° |
| H8 | CAG | CAH | H9 | 0.4° | 0.1° |
