TVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N4 | sing | 1.34Å | 1.32Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.38Å | 1.35Å | |
| N4 | N5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C1 | sing | 1.46Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.38Å | Aromatic |
| C1 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| N5 | C3 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C5 | C4 | 107.7° | 107.8° |
| C5 | N4 | N5 | 108.2° | 110.0° |
| C5 | N4 | H4 | 125.9° | 125.0° |
| N4 | C5 | H5 | 126.1° | 126.1° |
| C5 | C4 | C1 | 133.7° | 136.1° |
| C5 | C4 | C3 | 107.4° | 106.6° |
| C4 | C5 | H5 | 126.1° | 126.1° |
| N1 | C1 | C4 | 121.3° | 121.3° |
| N1 | C1 | N2 | 119.8° | 121.2° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| N4 | N5 | C3 | 109.8° | 109.1° |
| N5 | N4 | H4 | 125.9° | 125.1° |
| C1 | C4 | C3 | 118.6° | 117.3° |
| C4 | C1 | N2 | 118.9° | 117.5° |
| C4 | C3 | N5 | 106.8° | 106.6° |
| C4 | C3 | N3 | 121.0° | 117.7° |
| C1 | N2 | C2 | 120.0° | 122.1° |
| N5 | C3 | N3 | 132.2° | 135.7° |
| C3 | N3 | C2 | 118.4° | 120.9° |
| N2 | C2 | N3 | 123.1° | 124.6° |
| N2 | C2 | H3 | 118.5° | 117.7° |
| N3 | C2 | H3 | 118.5° | 117.8° |
| H1 | N1 | H2 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C5 | C4 | H5 | 180.0° | 179.9° |
| C5 | N4 | N5 | H4 | 180.0° | 180.0° |
| N4 | C5 | C4 | C1 | 175.6° | 179.9° |
| N4 | C5 | C4 | C3 | 1.9° | 0.0° |
| C5 | N4 | N5 | C3 | 1.7° | 0.0° |
| C5 | C4 | C1 | N1 | 5.6° | 0.3° |
| C4 | C5 | N4 | N5 | 2.2° | 0.0° |
| C5 | C4 | C1 | C3 | 173.1° | 179.9° |
| C5 | C4 | C1 | N2 | 177.3° | 179.9° |
| C5 | C4 | C3 | N5 | 0.9° | 0.0° |
| C5 | C4 | C3 | N3 | 177.3° | 179.4° |
| C4 | C5 | N4 | H4 | 177.8° | 180.0° |
| N1 | C1 | C4 | N2 | 177.0° | 179.7° |
| N1 | C1 | C4 | C3 | 178.8° | 179.7° |
| N1 | C1 | N2 | C2 | 179.8° | 180.0° |
| C1 | N1 | H1 | H2 | 120.0° | 180.0° |
| N4 | N5 | C3 | C4 | 0.4° | 0.0° |
| N4 | N5 | C3 | N3 | 178.3° | 179.2° |
| N5 | N4 | C5 | H5 | 177.8° | 179.9° |
| C1 | C4 | C3 | N5 | 175.7° | 179.9° |
| C1 | C4 | C3 | N3 | 2.5° | 0.5° |
| C4 | C1 | N2 | C2 | 3.1° | 0.3° |
| C4 | C1 | N1 | H1 | 177.0° | 179.7° |
| C4 | C1 | N1 | H2 | 63.0° | 0.3° |
| C1 | C4 | C5 | H5 | 4.4° | 0.1° |
| C3 | C4 | C1 | N2 | 4.2° | 0.0° |
| C4 | C3 | N5 | N3 | 177.9° | 179.2° |
| C4 | C3 | N3 | C2 | 0.3° | 0.9° |
| C3 | C4 | C5 | H5 | 178.1° | 179.9° |
| C1 | N2 | C2 | N3 | 0.3° | 0.0° |
| N2 | C1 | N1 | H1 | 0.0° | 0.0° |
| N2 | C1 | N1 | H2 | 120.0° | 180.0° |
| C1 | N2 | C2 | H3 | 179.8° | 180.0° |
| N5 | C3 | N3 | C2 | 178.0° | 180.0° |
| C3 | N5 | N4 | H4 | 178.3° | 180.0° |
| C3 | N3 | C2 | N2 | 1.5° | 0.6° |
| C3 | N3 | C2 | H3 | 178.5° | 179.4° |
| N2 | C2 | N3 | H3 | 180.0° | 180.0° |
| H4 | N4 | C5 | H5 | 2.2° | 0.1° |
