2MI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAG | sing | 1.51Å | 1.53Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.10Å | |
| CAG | CAC | doub | 1.34Å | 1.33Å | Aromatic |
| CAG | NAE | sing | 1.37Å | 1.33Å | Aromatic |
| CAC | CAA | sing | 1.46Å | 1.33Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAA | CAD | sing | 1.40Å | 1.39Å | Aromatic |
| CAA | CAB | doub | 1.41Å | 1.39Å | Aromatic |
| CAD | CAH | doub | 1.37Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAB | NAE | sing | 1.38Å | 1.33Å | Aromatic |
| NAE | HAE | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAJ | HAJ1 | 109.5° | 109.5° |
| CAG | CAJ | HAJ2 | 109.5° | 109.5° |
| CAG | CAJ | HAJ3 | 109.5° | 109.4° |
| CAJ | CAG | CAC | 124.5° | 125.0° |
| CAJ | CAG | NAE | 124.4° | 125.0° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ3 | 109.4° | 109.4° |
| HAJ2 | CAJ | HAJ3 | 109.5° | 109.5° |
| CAC | CAG | NAE | 111.1° | 110.0° |
| CAG | CAC | CAA | 107.0° | 107.0° |
| CAG | CAC | HAC | 126.6° | 126.5° |
| CAG | NAE | CAB | 107.0° | 109.9° |
| CAG | NAE | HAE | 126.5° | 125.1° |
| CAA | CAC | HAC | 126.5° | 126.5° |
| CAC | CAA | CAD | 132.5° | 134.1° |
| CAC | CAA | CAB | 107.5° | 106.0° |
| CAD | CAA | CAB | 120.0° | 119.9° |
| CAA | CAD | CAH | 119.9° | 119.8° |
| CAA | CAD | HAD | 120.0° | 120.1° |
| CAA | CAB | CAF | 120.1° | 119.3° |
| CAA | CAB | NAE | 107.5° | 107.1° |
| CAH | CAD | HAD | 120.1° | 120.1° |
| CAD | CAH | CAI | 120.1° | 120.6° |
| CAD | CAH | HAH | 119.9° | 119.7° |
| CAI | CAH | HAH | 119.9° | 119.7° |
| CAH | CAI | CAF | 120.0° | 120.7° |
| CAH | CAI | HAI | 120.0° | 119.7° |
| CAF | CAI | HAI | 120.0° | 119.6° |
| CAI | CAF | CAB | 119.8° | 119.8° |
| CAI | CAF | HAF | 120.1° | 120.1° |
| CAB | CAF | HAF | 120.1° | 120.1° |
| CAF | CAB | NAE | 132.4° | 133.5° |
| CAB | NAE | HAE | 126.5° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAJ | HAJ1 | HAJ2 | 120.0° | 120.1° |
| CAG | CAJ | HAJ1 | HAJ3 | 120.0° | 119.9° |
| CAG | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| CAJ | CAG | CAC | NAE | 179.6° | 179.7° |
| CAJ | CAG | CAC | CAA | 179.5° | 179.9° |
| CAJ | CAG | CAC | HAC | 0.5° | 0.1° |
| CAJ | CAG | NAE | CAB | 179.5° | 180.0° |
| CAJ | CAG | NAE | HAE | 0.6° | 0.0° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| HAJ1 | CAJ | CAG | CAC | 55.6° | 90.3° |
| HAJ1 | CAJ | CAG | NAE | 124.9° | 90.0° |
| HAJ2 | CAJ | CAG | CAC | 175.6° | 29.7° |
| HAJ2 | CAJ | CAG | NAE | 4.9° | 150.0° |
| HAJ3 | CAJ | CAG | CAC | 64.4° | 149.7° |
| HAJ3 | CAJ | CAG | NAE | 115.1° | 29.9° |
| CAG | CAC | CAA | HAC | 180.0° | 180.0° |
| CAG | CAC | CAA | CAD | 179.6° | 179.8° |
| CAG | CAC | CAA | CAB | 0.1° | 0.4° |
| CAC | CAG | NAE | CAB | 0.1° | 0.3° |
| CAC | CAG | NAE | HAE | 179.9° | 179.7° |
| NAE | CAG | CAC | CAA | 0.1° | 0.4° |
| NAE | CAG | CAC | HAC | 179.9° | 179.6° |
| CAG | NAE | CAB | CAA | 0.1° | 0.0° |
| CAG | NAE | CAB | CAF | 179.7° | 180.0° |
| CAG | NAE | CAB | HAE | 180.0° | 180.0° |
| CAC | CAA | CAD | CAB | 179.7° | 179.7° |
| CAC | CAA | CAD | CAH | 179.6° | 179.7° |
| CAC | CAA | CAD | HAD | 0.4° | 0.3° |
| CAC | CAA | CAB | CAF | 179.8° | 179.8° |
| CAC | CAA | CAB | NAE | 0.0° | 0.2° |
| HAC | CAC | CAA | CAD | 0.4° | 0.1° |
| HAC | CAC | CAA | CAB | 179.9° | 179.7° |
| CAA | CAD | CAH | HAD | 180.0° | 180.0° |
| CAA | CAD | CAH | CAI | 0.0° | 0.0° |
| CAA | CAD | CAH | HAH | 180.0° | 180.0° |
| CAD | CAA | CAB | CAF | 0.0° | 0.0° |
| CAD | CAA | CAB | NAE | 179.7° | 180.0° |
| CAB | CAA | CAD | CAH | 0.0° | 0.0° |
| CAB | CAA | CAD | HAD | 180.0° | 180.0° |
| CAA | CAB | CAF | CAI | 0.1° | 0.0° |
| CAA | CAB | CAF | NAE | 179.7° | 180.0° |
| CAA | CAB | CAF | HAF | 179.9° | 180.0° |
| CAA | CAB | NAE | HAE | 179.9° | 180.0° |
| CAD | CAH | CAI | HAH | 180.0° | 180.0° |
| CAD | CAH | CAI | CAF | 0.0° | 0.0° |
| CAD | CAH | CAI | HAI | 180.0° | 180.0° |
| HAD | CAD | CAH | CAI | 180.0° | 180.0° |
| HAD | CAD | CAH | HAH | 0.0° | 0.0° |
| CAH | CAI | CAF | HAI | 180.0° | 180.0° |
| CAH | CAI | CAF | CAB | 0.1° | 0.0° |
| CAH | CAI | CAF | HAF | 179.9° | 179.9° |
| HAH | CAH | CAI | CAF | 180.0° | 180.0° |
| HAH | CAH | CAI | HAI | 0.0° | 0.0° |
| CAI | CAF | CAB | HAF | 180.0° | 180.0° |
| CAI | CAF | CAB | NAE | 179.6° | 180.0° |
| HAI | CAI | CAF | CAB | 179.9° | 180.0° |
| HAI | CAI | CAF | HAF | 0.1° | 0.1° |
| CAF | CAB | NAE | HAE | 0.4° | 0.0° |
| HAF | CAF | CAB | NAE | 0.4° | 0.1° |
