OK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | sing | 1.38Å | 1.36Å | Aromatic |
| CAD | CAE | doub | 1.34Å | 1.31Å | Aromatic |
| CAC | CAB | doub | 1.33Å | 1.35Å | Aromatic |
| CAE | NAF | sing | 1.40Å | 1.37Å | |
| CAE | SAA | sing | 1.76Å | 1.85Å | Aromatic |
| NAF | CAG | sing | 1.35Å | 1.35Å | |
| CAB | SAA | sing | 1.76Å | 1.60Å | Aromatic |
| CAG | CAH | sing | 1.51Å | 1.55Å | |
| CAG | OAI | doub | 1.21Å | 1.26Å | |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| NAF | H4 | sing | 0.97Å | 1.00Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAE | 113.5° | 114.8° |
| CAD | CAC | CAB | 114.5° | 115.0° |
| CAD | CAC | H6 | 122.7° | 122.5° |
| CAC | CAD | H7 | 123.3° | 122.6° |
| CAD | CAE | NAF | 125.2° | 125.2° |
| CAD | CAE | SAA | 108.0° | 109.5° |
| CAE | CAD | H7 | 123.3° | 122.6° |
| CAC | CAB | SAA | 114.1° | 109.7° |
| CAC | CAB | H5 | 123.0° | 125.1° |
| CAB | CAC | H6 | 122.8° | 122.5° |
| NAF | CAE | SAA | 126.8° | 125.2° |
| CAE | NAF | CAG | 119.9° | 120.0° |
| CAE | NAF | H4 | 120.1° | 120.1° |
| CAE | SAA | CAB | 89.9° | 91.0° |
| NAF | CAG | CAH | 114.5° | 120.0° |
| NAF | CAG | OAI | 126.1° | 120.0° |
| CAG | NAF | H4 | 120.1° | 120.0° |
| SAA | CAB | H5 | 123.0° | 125.1° |
| CAH | CAG | OAI | 118.9° | 120.0° |
| CAG | CAH | H1 | 109.5° | 109.5° |
| CAG | CAH | H2 | 109.5° | 109.5° |
| CAG | CAH | H3 | 109.5° | 109.5° |
| H1 | CAH | H2 | 109.5° | 109.5° |
| H1 | CAH | H3 | 109.5° | 109.4° |
| H2 | CAH | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAE | H7 | 180.0° | 179.6° |
| CAD | CAC | CAB | H6 | 180.0° | 179.7° |
| CAC | CAD | CAE | NAF | 179.1° | 179.8° |
| CAC | CAD | CAE | SAA | 0.4° | 0.4° |
| CAD | CAC | CAB | SAA | 1.9° | 0.3° |
| CAD | CAC | CAB | H5 | 178.1° | 179.8° |
| CAE | CAD | CAC | CAB | 0.9° | 0.5° |
| CAD | CAE | NAF | SAA | 178.4° | 179.8° |
| CAD | CAE | NAF | CAG | 161.3° | 179.7° |
| CAD | CAE | SAA | CAB | 1.2° | 0.2° |
| CAD | CAE | NAF | H4 | 18.7° | 0.3° |
| CAE | CAD | CAC | H6 | 179.1° | 179.8° |
| CAC | CAB | SAA | CAE | 1.7° | 0.1° |
| CAC | CAB | SAA | H5 | 180.0° | 179.9° |
| CAB | CAC | CAD | H7 | 179.1° | 179.9° |
| CAE | NAF | CAG | H4 | 180.0° | 180.0° |
| NAF | CAE | SAA | CAB | 179.9° | 180.0° |
| CAE | NAF | CAG | CAH | 179.5° | 180.0° |
| CAE | NAF | CAG | OAI | 7.9° | 0.0° |
| NAF | CAE | CAD | H7 | 0.9° | 0.2° |
| SAA | CAE | NAF | CAG | 17.1° | 0.0° |
| SAA | CAE | NAF | H4 | 162.9° | 180.0° |
| CAE | SAA | CAB | H5 | 178.3° | 180.0° |
| SAA | CAE | CAD | H7 | 179.6° | 180.0° |
| NAF | CAG | CAH | OAI | 172.2° | 180.0° |
| NAF | CAG | CAH | H1 | 172.2° | 180.0° |
| NAF | CAG | CAH | H2 | 52.2° | 60.0° |
| NAF | CAG | CAH | H3 | 67.8° | 60.0° |
| SAA | CAB | CAC | H6 | 178.1° | 180.0° |
| CAG | CAH | H1 | H2 | 120.0° | 120.1° |
| CAG | CAH | H1 | H3 | 120.0° | 120.0° |
| CAG | CAH | H2 | H3 | 120.0° | 120.0° |
| CAH | CAG | NAF | H4 | 0.5° | 0.0° |
| OAI | CAG | CAH | H1 | 0.0° | 0.0° |
| OAI | CAG | CAH | H2 | 120.0° | 120.0° |
| OAI | CAG | CAH | H3 | 120.0° | 120.0° |
| OAI | CAG | NAF | H4 | 172.1° | 180.0° |
| H1 | CAH | H2 | H3 | 120.0° | 119.9° |
| H5 | CAB | CAC | H6 | 1.9° | 0.1° |
| H6 | CAC | CAD | H7 | 0.9° | 0.3° |
