MGX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD | NE | sing | 1.46Å | 1.47Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.34Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | sing | 1.38Å | 1.33Å | |
| CZ | NH2 | doub | 1.30Å | 1.32Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH1 | HH12 | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NE | CD | HD1 | 109.5° | 109.4° |
| NE | CD | HD2 | 109.5° | 109.4° |
| NE | CD | HD3 | 109.5° | 109.5° |
| CD | NE | CZ | 125.5° | 120.1° |
| CD | NE | HNE | 117.3° | 119.9° |
| HD1 | CD | HD2 | 109.5° | 109.4° |
| HD1 | CD | HD3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.4° | 109.5° |
| CZ | NE | HNE | 117.2° | 120.0° |
| NE | CZ | NH1 | 121.2° | 120.0° |
| NE | CZ | NH2 | 119.5° | 120.1° |
| NH1 | CZ | NH2 | 119.3° | 120.0° |
| CZ | NH1 | HH11 | 124.7° | 120.0° |
| CZ | NH1 | HH12 | 110.7° | 120.0° |
| CZ | NH2 | HNH2 | 110.7° | 120.0° |
| HH11 | NH1 | HH12 | 124.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NE | CD | HD1 | HD2 | 120.0° | 119.9° |
| NE | CD | HD1 | HD3 | 120.1° | 120.1° |
| NE | CD | HD2 | HD3 | 120.0° | 120.1° |
| CD | NE | CZ | HNE | 180.0° | 180.0° |
| CD | NE | CZ | NH1 | 0.0° | 0.0° |
| CD | NE | CZ | NH2 | 179.9° | 180.0° |
| HD1 | CD | HD2 | HD3 | 120.0° | 120.0° |
| HD1 | CD | NE | CZ | 36.3° | 59.9° |
| HD1 | CD | NE | HNE | 143.7° | 120.1° |
| HD2 | CD | NE | CZ | 156.3° | 59.9° |
| HD2 | CD | NE | HNE | 23.7° | 120.1° |
| HD3 | CD | NE | CZ | 83.7° | 180.0° |
| HD3 | CD | NE | HNE | 96.3° | 0.0° |
| NE | CZ | NH1 | NH2 | 179.9° | 180.0° |
| NE | CZ | NH1 | HH11 | 0.0° | 180.0° |
| NE | CZ | NH1 | HH12 | 180.0° | 0.0° |
| NE | CZ | NH2 | HNH2 | 0.0° | 180.0° |
| HNE | NE | CZ | NH1 | 180.0° | 180.0° |
| HNE | NE | CZ | NH2 | 0.1° | 0.0° |
| CZ | NH1 | HH11 | HH12 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | HNH2 | 179.9° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 179.9° | 0.0° |
| NH2 | CZ | NH1 | HH12 | 0.1° | 180.0° |
