MB3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAG | sing | 1.46Å | 1.52Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAF | OAB | doub | 1.21Å | 1.24Å | |
| CAE | CAC | sing | 1.54Å | 1.52Å | |
| CAC | CAD | sing | 1.55Å | 1.53Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAF | CAD | sing | 1.51Å | 1.51Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| NAG | CAE | sing | 1.47Å | 1.48Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| NAG | CAF | sing | 1.34Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAG | CAA | HAA | 109.5° | 109.5° |
| NAG | CAA | HAAA | 109.5° | 109.5° |
| NAG | CAA | HAAB | 109.5° | 109.5° |
| CAA | NAG | CAE | 121.1° | 124.4° |
| CAA | NAG | CAF | 128.5° | 124.3° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| OAB | CAF | CAD | 121.3° | 124.9° |
| OAB | CAF | NAG | 129.4° | 124.9° |
| CAE | CAC | CAD | 102.1° | 101.8° |
| CAE | CAC | HAC | 112.0° | 111.0° |
| CAE | CAC | HACA | 112.0° | 111.0° |
| CAC | CAE | NAG | 104.3° | 105.5° |
| CAC | CAE | HAE | 111.2° | 110.3° |
| CAC | CAE | HAEA | 111.2° | 110.3° |
| CAD | CAC | HAC | 112.0° | 111.0° |
| CAD | CAC | HACA | 112.0° | 111.0° |
| CAC | CAD | CAF | 103.3° | 104.2° |
| CAC | CAD | HAD | 111.6° | 110.5° |
| CAC | CAD | HADA | 111.6° | 110.5° |
| HAC | CAC | HACA | 106.8° | 110.8° |
| CAF | CAD | HAD | 111.6° | 110.5° |
| CAF | CAD | HADA | 111.6° | 110.5° |
| CAD | CAF | NAG | 109.3° | 110.1° |
| HAD | CAD | HADA | 107.3° | 110.5° |
| NAG | CAE | HAE | 111.2° | 110.2° |
| NAG | CAE | HAEA | 111.2° | 110.3° |
| CAE | NAG | CAF | 110.4° | 111.3° |
| HAE | CAE | HAEA | 107.6° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAG | CAA | HAA | HAAA | 120.0° | 120.1° |
| NAG | CAA | HAA | HAAB | 120.0° | 120.0° |
| NAG | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | NAG | CAF | OAB | 0.3° | 0.3° |
| CAA | NAG | CAE | CAC | 160.2° | 163.0° |
| CAA | NAG | CAF | CAD | 179.7° | 179.6° |
| CAA | NAG | CAE | CAF | 179.7° | 180.0° |
| CAA | NAG | CAE | HAE | 79.8° | 78.0° |
| CAA | NAG | CAE | HAEA | 40.2° | 43.9° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | NAG | CAE | 180.0° | 89.9° |
| HAA | CAA | NAG | CAF | 0.4° | 90.0° |
| HAAA | CAA | NAG | CAE | 60.0° | 150.0° |
| HAAA | CAA | NAG | CAF | 119.7° | 30.0° |
| HAAB | CAA | NAG | CAE | 60.0° | 30.0° |
| HAAB | CAA | NAG | CAF | 120.3° | 150.0° |
| OAB | CAF | CAD | CAC | 160.7° | 163.7° |
| OAB | CAF | CAD | NAG | 179.5° | 179.9° |
| OAB | CAF | CAD | HAD | 40.8° | 45.0° |
| OAB | CAF | CAD | HADA | 79.2° | 77.6° |
| OAB | CAF | NAG | CAE | 179.4° | 179.7° |
| CAE | CAC | CAD | HAC | 120.0° | 118.1° |
| CAE | CAC | CAD | HACA | 120.0° | 118.2° |
| CAE | CAC | HAC | HACA | 123.0° | 123.8° |
| CAE | CAC | CAD | CAF | 30.5° | 24.8° |
| CAE | CAC | CAD | HAD | 150.5° | 143.5° |
| CAE | CAC | CAD | HADA | 89.5° | 94.0° |
| CAC | CAE | NAG | HAE | 120.0° | 119.0° |
| CAC | CAE | NAG | HAEA | 120.0° | 119.1° |
| CAC | CAE | HAE | HAEA | 122.1° | 122.0° |
| CAC | CAE | NAG | CAF | 20.0° | 17.0° |
| CAD | CAC | HAC | HACA | 123.0° | 123.8° |
| CAC | CAD | CAF | HAD | 120.0° | 118.7° |
| CAC | CAD | CAF | HADA | 120.0° | 118.7° |
| CAC | CAD | HAD | HADA | 122.5° | 122.6° |
| CAD | CAC | CAE | NAG | 30.8° | 25.4° |
| CAD | CAC | CAE | HAE | 89.2° | 93.5° |
| CAD | CAC | CAE | HAEA | 150.8° | 144.5° |
| CAC | CAD | CAF | NAG | 19.8° | 16.2° |
| HAC | CAC | CAD | CAF | 89.5° | 142.9° |
| HAC | CAC | CAD | HAD | 30.5° | 98.4° |
| HAC | CAC | CAD | HADA | 150.5° | 24.2° |
| HAC | CAC | CAE | NAG | 89.2° | 143.5° |
| HAC | CAC | CAE | HAE | 150.8° | 24.6° |
| HAC | CAC | CAE | HAEA | 30.8° | 97.4° |
| HACA | CAC | CAD | CAF | 150.5° | 93.4° |
| HACA | CAC | CAD | HAD | 89.5° | 25.3° |
| HACA | CAC | CAD | HADA | 30.4° | 147.9° |
| HACA | CAC | CAE | NAG | 150.8° | 92.8° |
| HACA | CAC | CAE | HAE | 30.8° | 148.3° |
| HACA | CAC | CAE | HAEA | 89.2° | 26.3° |
| CAF | CAD | HAD | HADA | 122.5° | 122.7° |
| CAD | CAF | NAG | CAE | 0.0° | 0.4° |
| HAD | CAD | CAF | NAG | 139.8° | 134.9° |
| HADA | CAD | CAF | NAG | 100.2° | 102.5° |
| NAG | CAE | HAE | HAEA | 122.1° | 122.0° |
| HAE | CAE | NAG | CAF | 100.0° | 102.0° |
| HAEA | CAE | NAG | CAF | 140.0° | 136.1° |
