7O4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.35Å | 1.34Å | Aromatic |
| CAA | CAD | sing | 1.41Å | 1.36Å | Aromatic |
| CAB | OAC | sing | 1.34Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.36Å | 1.35Å | Aromatic |
| OAC | CAE | sing | 1.35Å | 1.38Å | Aromatic |
| CAE | CAG | sing | 1.48Å | 1.43Å | |
| CAG | NAH | doub | 1.32Å | 1.35Å | Aromatic |
| CAG | CAF | sing | 1.41Å | 1.36Å | Aromatic |
| NAH | NAK | sing | 1.28Å | 1.25Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.35Å | Aromatic |
| NAK | CAJ | sing | 1.37Å | 1.34Å | Aromatic |
| CAJ | CAL | sing | 1.47Å | 1.56Å | |
| CAL | OAI | doub | 1.22Å | 1.25Å | |
| CAL | OAM | sing | 1.35Å | 1.25Å | |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| OAM | H5 | sing | 0.97Å | 0.95Å | |
| NAK | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAD | 108.7° | 107.0° |
| CAA | CAB | OAC | 108.7° | 108.7° |
| CAB | CAA | H2 | 125.7° | 126.5° |
| CAA | CAB | H3 | 125.7° | 125.7° |
| CAA | CAD | CAE | 108.4° | 106.8° |
| CAA | CAD | H1 | 125.8° | 126.6° |
| CAD | CAA | H2 | 125.6° | 126.6° |
| CAB | OAC | CAE | 106.1° | 109.4° |
| OAC | CAB | H3 | 125.6° | 125.7° |
| CAD | CAE | OAC | 108.1° | 108.2° |
| CAD | CAE | CAG | 130.0° | 125.9° |
| CAE | CAD | H1 | 125.8° | 126.7° |
| OAC | CAE | CAG | 121.9° | 125.9° |
| CAE | CAG | NAH | 126.8° | 126.3° |
| CAE | CAG | CAF | 127.7° | 126.2° |
| NAH | CAG | CAF | 105.5° | 107.5° |
| CAG | NAH | NAK | 111.6° | 110.8° |
| CAG | CAF | CAJ | 106.5° | 105.3° |
| CAG | CAF | H4 | 126.7° | 127.4° |
| NAH | NAK | CAJ | 108.2° | 109.9° |
| NAH | NAK | H6 | 125.9° | 125.0° |
| CAF | CAJ | NAK | 108.2° | 106.5° |
| CAF | CAJ | CAL | 127.1° | 126.8° |
| CAJ | CAF | H4 | 126.7° | 127.4° |
| NAK | CAJ | CAL | 124.7° | 126.7° |
| CAJ | NAK | H6 | 125.9° | 125.1° |
| CAJ | CAL | OAI | 119.3° | 120.0° |
| CAJ | CAL | OAM | 118.0° | 120.0° |
| OAI | CAL | OAM | 122.7° | 120.0° |
| CAL | OAM | H5 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAD | H2 | 180.0° | 179.9° |
| CAA | CAB | OAC | H3 | 180.0° | 179.9° |
| CAB | CAA | CAD | CAE | 0.4° | 0.0° |
| CAA | CAB | OAC | CAE | 2.1° | 0.0° |
| CAB | CAA | CAD | H1 | 179.6° | 179.8° |
| CAD | CAA | CAB | OAC | 1.1° | 0.0° |
| CAA | CAD | CAE | H1 | 180.0° | 179.7° |
| CAA | CAD | CAE | OAC | 1.7° | 0.0° |
| CAA | CAD | CAE | CAG | 179.9° | 179.7° |
| CAD | CAA | CAB | H3 | 178.9° | 179.9° |
| CAB | OAC | CAE | CAD | 2.3° | 0.0° |
| CAB | OAC | CAE | CAG | 179.1° | 179.7° |
| OAC | CAB | CAA | H2 | 178.9° | 179.9° |
| CAD | CAE | OAC | CAG | 178.5° | 179.7° |
| CAD | CAE | CAG | NAH | 40.3° | 0.0° |
| CAD | CAE | CAG | CAF | 139.8° | 179.7° |
| CAE | CAD | CAA | H2 | 179.6° | 180.0° |
| OAC | CAE | CAG | NAH | 137.9° | 179.7° |
| OAC | CAE | CAG | CAF | 42.0° | 0.0° |
| OAC | CAE | CAD | H1 | 178.3° | 179.8° |
| CAE | OAC | CAB | H3 | 177.9° | 179.9° |
| CAE | CAG | NAH | CAF | 179.9° | 179.7° |
| CAE | CAG | NAH | NAK | 179.2° | 179.8° |
| CAE | CAG | CAF | CAJ | 179.5° | 180.0° |
| CAG | CAE | CAD | H1 | 0.1° | 0.0° |
| CAE | CAG | CAF | H4 | 0.5° | 0.1° |
| NAH | CAG | CAF | CAJ | 0.4° | 0.3° |
| CAG | NAH | NAK | CAJ | 0.7° | 0.4° |
| NAH | CAG | CAF | H4 | 179.6° | 179.8° |
| CAG | NAH | NAK | H6 | 179.3° | 179.8° |
| CAF | CAG | NAH | NAK | 0.7° | 0.4° |
| CAG | CAF | CAJ | H4 | 180.0° | 179.9° |
| CAG | CAF | CAJ | NAK | 0.0° | 0.0° |
| CAG | CAF | CAJ | CAL | 178.9° | 180.0° |
| NAH | NAK | CAJ | CAF | 0.4° | 0.2° |
| NAH | NAK | CAJ | H6 | 180.0° | 179.8° |
| NAH | NAK | CAJ | CAL | 179.3° | 179.7° |
| CAF | CAJ | NAK | CAL | 178.9° | 179.9° |
| CAF | CAJ | CAL | OAI | 94.6° | 0.0° |
| CAF | CAJ | CAL | OAM | 84.1° | 180.0° |
| CAF | CAJ | NAK | H6 | 179.6° | 180.0° |
| NAK | CAJ | CAL | OAI | 86.7° | 180.0° |
| NAK | CAJ | CAL | OAM | 94.7° | 0.1° |
| NAK | CAJ | CAF | H4 | 179.9° | 180.0° |
| CAJ | CAL | OAI | OAM | 178.6° | 180.0° |
| CAL | CAJ | CAF | H4 | 1.2° | 0.1° |
| CAJ | CAL | OAM | H5 | 178.6° | 180.0° |
| CAL | CAJ | NAK | H6 | 0.7° | 0.0° |
| OAI | CAL | OAM | H5 | 0.0° | 0.0° |
| H1 | CAD | CAA | H2 | 0.4° | 0.3° |
| H2 | CAA | CAB | H3 | 1.1° | 0.0° |
