VWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | N3 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.38Å | 1.35Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 121.5° | 120.5° |
| C7 | C8 | C9 | 121.7° | 120.5° |
| C8 | C7 | H4 | 119.2° | 119.8° |
| C7 | C8 | H5 | 119.2° | 119.8° |
| C7 | C6 | C5 | 117.7° | 119.8° |
| C7 | C6 | H3 | 121.2° | 120.1° |
| C6 | C7 | H4 | 119.3° | 119.8° |
| C3 | C2 | N1 | 111.1° | 109.5° |
| C3 | C2 | C1 | 112.4° | 109.4° |
| C3 | C2 | H9 | 107.3° | 109.4° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.5° |
| C2 | C3 | H12 | 109.5° | 109.4° |
| C8 | C9 | C10 | 116.7° | 119.8° |
| C9 | C8 | H5 | 119.1° | 119.8° |
| C8 | C9 | H14 | 121.6° | 120.1° |
| C6 | C5 | C10 | 120.1° | 119.5° |
| C6 | C5 | N2 | 129.6° | 133.3° |
| C5 | C6 | H3 | 121.2° | 120.1° |
| C9 | C10 | C5 | 122.3° | 120.0° |
| C9 | C10 | N3 | 132.6° | 133.9° |
| C10 | C9 | H14 | 121.7° | 120.1° |
| C10 | C5 | N2 | 110.2° | 107.1° |
| C5 | C10 | N3 | 105.2° | 106.2° |
| C5 | N2 | C4 | 104.2° | 109.6° |
| C10 | N3 | C4 | 106.7° | 107.2° |
| C10 | N3 | H2 | 126.6° | 126.4° |
| N2 | C4 | N3 | 113.6° | 109.9° |
| N2 | C4 | N1 | 124.9° | 125.0° |
| N3 | C4 | N1 | 121.4° | 125.1° |
| C4 | N3 | H2 | 126.6° | 126.4° |
| N1 | C2 | C1 | 110.5° | 109.5° |
| C2 | N1 | C4 | 126.1° | 120.0° |
| C2 | N1 | H1 | 105.2° | 120.0° |
| N1 | C2 | H9 | 107.9° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 107.4° | 109.5° |
| C4 | N1 | H1 | 105.2° | 120.0° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H12 | 109.5° | 109.4° |
| H11 | C3 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H4 | 180.0° | 179.2° |
| C7 | C8 | C9 | H5 | 180.0° | 179.2° |
| C8 | C7 | C6 | C5 | 0.1° | 0.5° |
| C7 | C8 | C9 | C10 | 0.0° | 0.5° |
| C8 | C7 | C6 | H3 | 179.9° | 179.5° |
| C7 | C8 | C9 | H14 | 180.0° | 179.4° |
| C6 | C7 | C8 | C9 | 0.1° | 0.8° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.1° | 0.0° |
| C7 | C6 | C5 | N2 | 179.7° | 179.7° |
| C6 | C7 | C8 | H5 | 179.9° | 180.0° |
| C3 | C2 | N1 | C1 | 125.4° | 120.0° |
| C3 | C2 | N1 | H9 | 117.4° | 119.9° |
| C3 | C2 | C1 | H9 | 117.8° | 119.9° |
| C3 | C2 | N1 | C4 | 42.3° | 155.3° |
| C3 | C2 | N1 | H1 | 79.9° | 25.1° |
| C3 | C2 | C1 | H6 | 180.0° | 60.0° |
| C3 | C2 | C1 | H7 | 60.0° | 180.0° |
| C3 | C2 | C1 | H8 | 60.0° | 60.0° |
| C2 | C3 | H10 | H11 | 120.0° | 120.0° |
| C2 | C3 | H10 | H12 | 120.0° | 119.9° |
| C2 | C3 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | C10 | H14 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.0° | 0.1° |
| C8 | C9 | C10 | N3 | 180.0° | 179.7° |
| C9 | C8 | C7 | H4 | 179.9° | 180.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.3° |
| C6 | C5 | C10 | N2 | 179.6° | 179.8° |
| C6 | C5 | C10 | N3 | 179.9° | 180.0° |
| C6 | C5 | N2 | C4 | 179.3° | 179.9° |
| C5 | C6 | C7 | H4 | 179.9° | 179.7° |
| C9 | C10 | C5 | N3 | 180.0° | 179.7° |
| C9 | C10 | C5 | N2 | 179.7° | 179.9° |
| C9 | C10 | N3 | C4 | 179.4° | 179.6° |
| C9 | C10 | N3 | H2 | 0.6° | 0.1° |
| C10 | C9 | C8 | H5 | 180.0° | 179.7° |
| C10 | C5 | N2 | C4 | 1.1° | 0.4° |
| C5 | C10 | N3 | C4 | 0.6° | 0.0° |
| C5 | C10 | N3 | H2 | 179.4° | 179.7° |
| C10 | C5 | C6 | H3 | 179.9° | 180.0° |
| C5 | C10 | C9 | H14 | 180.0° | 180.0° |
| N2 | C5 | C10 | N3 | 0.3° | 0.2° |
| C5 | N2 | C4 | N3 | 1.5° | 0.4° |
| C5 | N2 | C4 | N1 | 178.6° | 179.6° |
| N2 | C5 | C6 | H3 | 0.4° | 0.3° |
| C10 | N3 | C4 | N2 | 1.4° | 0.2° |
| C10 | N3 | C4 | H2 | 180.0° | 179.7° |
| C10 | N3 | C4 | N1 | 178.6° | 179.8° |
| N3 | C10 | C9 | H14 | 0.0° | 0.4° |
| N2 | C4 | N3 | N1 | 177.2° | 180.0° |
| N2 | C4 | N1 | C2 | 43.9° | 179.7° |
| N2 | C4 | N1 | H1 | 166.1° | 0.1° |
| N2 | C4 | N3 | H2 | 178.6° | 180.0° |
| N3 | C4 | N1 | C2 | 139.3° | 0.3° |
| N3 | C4 | N1 | H1 | 17.0° | 180.0° |
| N1 | C2 | C1 | H9 | 117.5° | 120.1° |
| C2 | N1 | C4 | H1 | 122.2° | 179.6° |
| N1 | C2 | C1 | H6 | 55.3° | 180.0° |
| N1 | C2 | C1 | H7 | 175.3° | 60.0° |
| N1 | C2 | C1 | H8 | 64.7° | 60.0° |
| N1 | C2 | C3 | H10 | 180.0° | 60.0° |
| N1 | C2 | C3 | H11 | 60.0° | 180.0° |
| N1 | C2 | C3 | H12 | 60.0° | 60.0° |
| C1 | C2 | N1 | C4 | 83.2° | 84.7° |
| C1 | C2 | N1 | H1 | 154.6° | 94.9° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C3 | H10 | 55.6° | 180.0° |
| C1 | C2 | C3 | H11 | 175.6° | 60.0° |
| C1 | C2 | C3 | H12 | 64.4° | 60.0° |
| N1 | C4 | N3 | H2 | 1.4° | 0.1° |
| C4 | N1 | C2 | H9 | 159.7° | 35.4° |
| H1 | N1 | C2 | H9 | 37.5° | 145.0° |
| H3 | C6 | C7 | H4 | 0.1° | 0.3° |
| H4 | C7 | C8 | H5 | 0.1° | 0.8° |
| H5 | C8 | C9 | H14 | 0.0° | 0.2° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H6 | C1 | C2 | H9 | 62.2° | 60.0° |
| H7 | C1 | C2 | H9 | 57.8° | 60.1° |
| H8 | C1 | C2 | H9 | 177.8° | 179.9° |
| H9 | C2 | C3 | H10 | 62.2° | 60.0° |
| H9 | C2 | C3 | H11 | 57.8° | 60.0° |
| H9 | C2 | C3 | H12 | 177.8° | 180.0° |
| H10 | C3 | H11 | H12 | 120.0° | 120.0° |
