1MR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAG | sing | 1.43Å | 1.48Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| NAG | CAH | sing | 1.41Å | 1.33Å | |
| NAG | HNAG | sing | 1.00Å | 1.00Å | |
| CAH | CAE | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.09Å | 1.08Å | |
| CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.09Å | 1.08Å | |
| CAB | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | HAB | sing | 1.09Å | 1.08Å | |
| CAD | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.09Å | 1.08Å | |
| CAF | HAF | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAG | CAA | HAA1 | 109.5° | 110.1° |
| NAG | CAA | HAA2 | 109.5° | 110.2° |
| NAG | CAA | HAA3 | 109.4° | 110.2° |
| CAA | NAG | CAH | 121.5° | 122.9° |
| CAA | NAG | HNAG | 105.6° | 120.1° |
| HAA1 | CAA | HAA2 | 109.5° | 108.8° |
| HAA1 | CAA | HAA3 | 109.5° | 108.8° |
| HAA2 | CAA | HAA3 | 109.5° | 108.7° |
| CAH | NAG | HNAG | 105.6° | 117.0° |
| NAG | CAH | CAE | 119.2° | 120.0° |
| NAG | CAH | CAF | 120.9° | 120.1° |
| CAE | CAH | CAF | 120.0° | 120.0° |
| CAH | CAE | CAC | 120.2° | 120.0° |
| CAH | CAE | HAE | 119.9° | 120.6° |
| CAH | CAF | CAD | 119.8° | 120.0° |
| CAH | CAF | HAF | 120.1° | 120.6° |
| CAC | CAE | HAE | 119.9° | 119.4° |
| CAE | CAC | CAB | 119.6° | 120.0° |
| CAE | CAC | HAC | 120.2° | 120.0° |
| CAB | CAC | HAC | 120.2° | 120.0° |
| CAC | CAB | CAD | 120.5° | 120.0° |
| CAC | CAB | HAB | 119.7° | 120.0° |
| CAD | CAB | HAB | 119.8° | 119.9° |
| CAB | CAD | CAF | 119.9° | 120.0° |
| CAB | CAD | HAD | 120.1° | 120.0° |
| CAF | CAD | HAD | 120.1° | 120.0° |
| CAD | CAF | HAF | 120.1° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAG | CAA | HAA1 | HAA2 | 120.0° | 120.9° |
| NAG | CAA | HAA1 | HAA3 | 120.0° | 120.9° |
| NAG | CAA | HAA2 | HAA3 | 120.0° | 120.9° |
| CAA | NAG | CAH | HNAG | 120.0° | 179.8° |
| CAA | NAG | CAH | CAE | 149.0° | 150.1° |
| CAA | NAG | CAH | CAF | 31.7° | 29.8° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 118.3° |
| HAA1 | CAA | NAG | CAH | 89.3° | 0.8° |
| HAA1 | CAA | NAG | HNAG | 150.7° | 179.4° |
| HAA2 | CAA | NAG | CAH | 150.7° | 119.3° |
| HAA2 | CAA | NAG | HNAG | 30.7° | 60.6° |
| HAA3 | CAA | NAG | CAH | 30.7° | 120.8° |
| HAA3 | CAA | NAG | HNAG | 89.3° | 59.4° |
| NAG | CAH | CAE | CAF | 179.3° | 179.9° |
| NAG | CAH | CAE | CAC | 179.8° | 180.0° |
| NAG | CAH | CAE | HAE | 0.2° | 0.0° |
| NAG | CAH | CAF | CAD | 179.8° | 180.0° |
| NAG | CAH | CAF | HAF | 0.2° | 0.0° |
| HNAG | NAG | CAH | CAE | 91.0° | 30.1° |
| HNAG | NAG | CAH | CAF | 88.3° | 150.0° |
| CAH | CAE | CAC | HAE | 180.0° | 180.0° |
| CAH | CAE | CAC | CAB | 0.2° | 0.0° |
| CAH | CAE | CAC | HAC | 179.8° | 180.0° |
| CAE | CAH | CAF | CAD | 0.5° | 0.0° |
| CAE | CAH | CAF | HAF | 179.5° | 179.9° |
| CAF | CAH | CAE | CAC | 0.5° | 0.0° |
| CAF | CAH | CAE | HAE | 179.5° | 180.0° |
| CAH | CAF | CAD | CAB | 0.3° | 0.0° |
| CAH | CAF | CAD | HAF | 180.0° | 179.9° |
| CAH | CAF | CAD | HAD | 179.7° | 180.0° |
| CAE | CAC | CAB | HAC | 180.0° | 180.0° |
| CAE | CAC | CAB | CAD | 0.1° | 0.0° |
| CAE | CAC | CAB | HAB | 179.9° | 180.0° |
| HAE | CAE | CAC | CAB | 179.8° | 180.0° |
| HAE | CAE | CAC | HAC | 0.2° | 0.0° |
| CAC | CAB | CAD | HAB | 180.0° | 180.0° |
| CAC | CAB | CAD | CAF | 0.0° | 0.0° |
| CAC | CAB | CAD | HAD | 180.0° | 180.0° |
| HAC | CAC | CAB | CAD | 179.9° | 180.0° |
| HAC | CAC | CAB | HAB | 0.1° | 0.0° |
| CAB | CAD | CAF | HAD | 180.0° | 180.0° |
| CAB | CAD | CAF | HAF | 179.7° | 179.9° |
| HAB | CAB | CAD | CAF | 180.0° | 180.0° |
| HAB | CAB | CAD | HAD | 0.0° | 0.1° |
| HAD | CAD | CAF | HAF | 0.3° | 0.0° |
