5MP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.41Å | 1.48Å | Aromatic |
| C1 | C3 | doub | 1.35Å | 1.34Å | Aromatic |
| C1 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | C5 | doub | 1.35Å | 1.34Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C4 | HC43 | sing | 1.09Å | 1.11Å | |
| C5 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 106.2° | 107.4° |
| C2 | C1 | C4 | 126.3° | 126.2° |
| C1 | C2 | C5 | 105.5° | 107.4° |
| C1 | C2 | HC2 | 130.9° | 126.4° |
| C3 | C1 | C4 | 127.5° | 126.3° |
| C1 | C3 | N6 | 109.7° | 108.2° |
| C1 | C3 | HC3 | 124.5° | 125.9° |
| C1 | C4 | HC41 | 106.3° | 109.4° |
| C1 | C4 | HC42 | 126.3° | 109.5° |
| C1 | C4 | HC43 | 106.3° | 109.4° |
| C5 | C2 | HC2 | 123.6° | 126.2° |
| C2 | C5 | N6 | 110.0° | 108.2° |
| C2 | C5 | HC5 | 124.5° | 125.9° |
| N6 | C3 | HC3 | 125.8° | 125.8° |
| C3 | N6 | C5 | 108.6° | 108.7° |
| C3 | N6 | HN6 | 125.8° | 125.6° |
| HC41 | C4 | HC42 | 106.3° | 109.5° |
| HC41 | C4 | HC43 | 103.2° | 109.4° |
| HC42 | C4 | HC43 | 106.3° | 109.6° |
| N6 | C5 | HC5 | 125.5° | 125.9° |
| C5 | N6 | HN6 | 125.6° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 179.8° | 179.7° |
| C1 | C2 | C5 | HC2 | 180.0° | 179.6° |
| C2 | C1 | C3 | N6 | 0.1° | 0.3° |
| C2 | C1 | C3 | HC3 | 179.9° | 179.8° |
| C2 | C1 | C4 | HC41 | 54.7° | 90.4° |
| C2 | C1 | C4 | HC42 | 180.0° | 29.6° |
| C2 | C1 | C4 | HC43 | 54.8° | 149.8° |
| C1 | C2 | C5 | N6 | 0.6° | 0.4° |
| C1 | C2 | C5 | HC5 | 179.4° | 179.9° |
| C3 | C1 | C2 | C5 | 0.3° | 0.4° |
| C3 | C1 | C2 | HC2 | 179.7° | 180.0° |
| C1 | C3 | N6 | HC3 | 180.0° | 179.9° |
| C3 | C1 | C4 | HC41 | 125.0° | 90.0° |
| C3 | C1 | C4 | HC42 | 0.3° | 150.0° |
| C3 | C1 | C4 | HC43 | 125.5° | 29.9° |
| C1 | C3 | N6 | C5 | 0.5° | 0.0° |
| C1 | C3 | N6 | HN6 | 179.5° | 180.0° |
| C4 | C1 | C2 | C5 | 179.5° | 179.9° |
| C4 | C1 | C2 | HC2 | 0.5° | 0.3° |
| C4 | C1 | C3 | N6 | 179.9° | 180.0° |
| C4 | C1 | C3 | HC3 | 0.1° | 0.1° |
| C1 | C4 | HC41 | HC42 | 136.7° | 120.0° |
| C1 | C4 | HC41 | HC43 | 111.6° | 119.9° |
| C1 | C4 | HC42 | HC43 | 125.2° | 120.0° |
| C2 | C5 | N6 | C3 | 0.7° | 0.2° |
| C2 | C5 | N6 | HC5 | 180.0° | 179.8° |
| C2 | C5 | N6 | HN6 | 179.3° | 179.7° |
| HC2 | C2 | C5 | N6 | 179.4° | 180.0° |
| HC2 | C2 | C5 | HC5 | 0.6° | 0.2° |
| C3 | N6 | C5 | HN6 | 180.0° | 180.0° |
| C3 | N6 | C5 | HC5 | 179.3° | 180.0° |
| HC3 | C3 | N6 | C5 | 179.5° | 180.0° |
| HC3 | C3 | N6 | HN6 | 0.5° | 0.1° |
| HC41 | C4 | HC42 | HC43 | 109.5° | 120.0° |
| HC5 | C5 | N6 | HN6 | 0.7° | 0.0° |
