VXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | doub | 1.32Å | 1.30Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| N | C2 | sing | 1.32Å | 1.37Å | Aromatic |
| C | C4 | doub | 1.39Å | 1.35Å | Aromatic |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C2 | N2 | sing | 1.39Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.47Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| C5 | N1 | sing | 1.47Å | 1.53Å | |
| C8 | O | sing | 1.43Å | 1.37Å | |
| O | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C | 123.2° | 120.9° |
| C1 | N | C2 | 117.7° | 121.6° |
| N | C1 | H10 | 118.4° | 119.5° |
| C1 | C | C4 | 117.9° | 119.3° |
| C | C1 | H10 | 118.4° | 119.6° |
| C1 | C | H16 | 121.0° | 120.4° |
| N | C2 | N2 | 117.6° | 119.7° |
| N | C2 | C3 | 121.8° | 120.6° |
| C | C4 | C3 | 121.5° | 118.5° |
| C | C4 | C5 | 117.5° | 120.8° |
| C4 | C | H16 | 121.0° | 120.3° |
| N2 | C9 | C8 | 107.5° | 109.2° |
| C9 | N2 | C2 | 120.1° | 111.0° |
| C9 | N2 | C6 | 115.6° | 110.7° |
| N2 | C9 | H8 | 109.9° | 109.5° |
| N2 | C9 | H9 | 109.9° | 109.5° |
| C9 | C8 | O | 110.6° | 109.2° |
| C9 | C8 | H6 | 109.2° | 109.5° |
| C9 | C8 | H7 | 109.2° | 109.5° |
| C8 | C9 | H8 | 110.0° | 109.6° |
| C8 | C9 | H9 | 110.0° | 109.5° |
| N2 | C2 | C3 | 120.4° | 119.7° |
| C2 | N2 | C6 | 123.1° | 110.9° |
| C2 | C3 | C4 | 117.9° | 119.1° |
| C2 | C3 | H15 | 121.1° | 120.5° |
| C3 | C4 | C5 | 121.0° | 120.7° |
| C4 | C3 | H15 | 121.0° | 120.5° |
| C4 | C5 | N1 | 109.2° | 109.5° |
| C4 | C5 | H11 | 109.5° | 109.5° |
| C4 | C5 | H12 | 109.5° | 109.5° |
| N2 | C6 | C7 | 106.4° | 109.2° |
| N2 | C6 | H13 | 110.2° | 109.5° |
| N2 | C6 | H14 | 110.2° | 109.5° |
| C5 | N1 | H1 | 109.5° | 111.0° |
| C5 | N1 | H2 | 109.5° | 111.0° |
| N1 | C5 | H11 | 109.5° | 109.5° |
| N1 | C5 | H12 | 109.5° | 109.5° |
| C8 | O | C7 | 113.1° | 113.7° |
| O | C8 | H6 | 109.2° | 109.6° |
| O | C8 | H7 | 109.2° | 109.5° |
| O | C7 | C6 | 114.8° | 109.3° |
| O | C7 | H4 | 108.1° | 109.5° |
| O | C7 | H5 | 108.1° | 109.6° |
| C6 | C7 | H4 | 108.1° | 109.5° |
| C6 | C7 | H5 | 108.1° | 109.5° |
| C7 | C6 | H13 | 110.2° | 109.5° |
| C7 | C6 | H14 | 110.2° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H4 | C7 | H5 | 109.5° | 109.4° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.6° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C | H10 | 180.0° | 179.7° |
| N | C1 | C | C4 | 0.3° | 0.0° |
| C1 | N | C2 | N2 | 175.5° | 180.0° |
| C1 | N | C2 | C3 | 1.0° | 0.1° |
| N | C1 | C | H16 | 179.7° | 180.0° |
| C | C1 | N | C2 | 0.3° | 0.0° |
| C1 | C | C4 | H16 | 180.0° | 179.9° |
| C1 | C | C4 | C3 | 0.3° | 0.0° |
| C1 | C | C4 | C5 | 179.7° | 180.0° |
| N | C2 | N2 | C9 | 3.8° | 123.5° |
| N | C2 | N2 | C3 | 176.5° | 179.9° |
| N | C2 | C3 | C4 | 1.0° | 0.1° |
| N | C2 | N2 | C6 | 170.7° | 0.0° |
| C2 | N | C1 | H10 | 179.7° | 179.8° |
| N | C2 | C3 | H15 | 179.0° | 180.0° |
| C | C4 | C3 | C2 | 0.4° | 0.1° |
| C | C4 | C3 | C5 | 179.4° | 179.9° |
| C | C4 | C5 | N1 | 87.4° | 90.0° |
| C4 | C | C1 | H10 | 179.7° | 179.8° |
| C | C4 | C5 | H11 | 32.5° | 150.0° |
| C | C4 | C5 | H12 | 152.6° | 29.9° |
| C | C4 | C3 | H15 | 179.6° | 180.0° |
| N2 | C9 | C8 | H8 | 119.7° | 120.0° |
| N2 | C9 | C8 | H9 | 119.7° | 119.9° |
| C9 | N2 | C2 | C6 | 166.9° | 123.6° |
| C9 | N2 | C2 | C3 | 179.7° | 56.4° |
| N2 | C9 | C8 | O | 67.0° | 56.9° |
| C9 | N2 | C6 | C7 | 30.5° | 58.6° |
| N2 | C9 | C8 | H6 | 172.8° | 63.1° |
| N2 | C9 | C8 | H7 | 53.2° | 176.8° |
| N2 | C9 | H8 | H9 | 120.9° | 120.1° |
| C9 | N2 | C6 | H13 | 89.0° | 178.6° |
| C9 | N2 | C6 | H14 | 150.0° | 61.2° |
| C8 | C9 | N2 | C2 | 142.5° | 177.6° |
| C8 | C9 | N2 | C6 | 25.4° | 58.7° |
| C9 | C8 | O | H6 | 120.2° | 120.0° |
| C9 | C8 | O | H7 | 120.2° | 119.9° |
| C9 | C8 | O | C7 | 40.1° | 58.7° |
| C9 | C8 | H6 | H7 | 119.5° | 120.1° |
| C8 | C9 | H8 | H9 | 120.9° | 120.1° |
| N2 | C2 | C3 | C4 | 175.3° | 180.0° |
| C2 | N2 | C6 | C7 | 162.1° | 177.6° |
| C2 | N2 | C9 | H8 | 97.8° | 62.4° |
| C2 | N2 | C9 | H9 | 22.8° | 57.8° |
| C2 | N2 | C6 | H13 | 78.4° | 57.7° |
| C2 | N2 | C6 | H14 | 42.6° | 62.5° |
| N2 | C2 | C3 | H15 | 4.7° | 0.0° |
| C2 | C3 | C4 | H15 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.0° | 180.0° |
| C3 | C2 | N2 | C6 | 12.8° | 180.0° |
| C3 | C4 | C5 | N1 | 93.2° | 90.0° |
| C3 | C4 | C5 | H11 | 146.9° | 30.0° |
| C3 | C4 | C5 | H12 | 26.8° | 150.0° |
| C3 | C4 | C | H16 | 179.7° | 180.0° |
| C4 | C5 | N1 | H11 | 119.9° | 120.0° |
| C4 | C5 | N1 | H12 | 120.0° | 120.0° |
| C4 | C5 | N1 | H1 | 180.0° | 56.0° |
| C4 | C5 | N1 | H2 | 60.0° | 180.0° |
| C4 | C5 | H11 | H12 | 120.1° | 120.0° |
| C5 | C4 | C3 | H15 | 1.0° | 0.0° |
| C5 | C4 | C | H16 | 0.4° | 0.1° |
| N2 | C6 | C7 | O | 60.6° | 56.9° |
| N2 | C6 | C7 | H13 | 119.5° | 120.0° |
| N2 | C6 | C7 | H14 | 119.5° | 119.9° |
| N2 | C6 | C7 | H4 | 60.2° | 176.8° |
| N2 | C6 | C7 | H5 | 178.6° | 63.2° |
| C6 | N2 | C9 | H8 | 94.3° | 61.3° |
| C6 | N2 | C9 | H9 | 145.1° | 178.5° |
| N2 | C6 | H13 | H14 | 121.4° | 120.2° |
| C5 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C5 | H11 | H12 | 120.1° | 120.0° |
| C8 | O | C7 | C6 | 22.4° | 58.7° |
| C8 | O | C7 | H4 | 98.4° | 178.7° |
| C8 | O | C7 | H5 | 143.2° | 61.3° |
| O | C8 | H6 | H7 | 119.5° | 120.1° |
| O | C8 | C9 | H8 | 52.7° | 63.0° |
| O | C8 | C9 | H9 | 173.3° | 176.8° |
| O | C7 | C6 | H4 | 120.8° | 119.9° |
| O | C7 | C6 | H5 | 120.8° | 120.1° |
| O | C7 | H4 | H5 | 117.6° | 120.1° |
| C7 | O | C8 | H6 | 160.3° | 61.3° |
| C7 | O | C8 | H7 | 80.0° | 178.6° |
| O | C7 | C6 | H13 | 58.9° | 176.8° |
| O | C7 | C6 | H14 | 179.9° | 63.1° |
| C6 | C7 | H4 | H5 | 117.6° | 120.1° |
| C7 | C6 | H13 | H14 | 121.4° | 120.1° |
| H1 | N1 | C5 | H11 | 60.1° | 176.0° |
| H1 | N1 | C5 | H12 | 60.0° | 64.0° |
| H2 | N1 | C5 | H11 | 179.9° | 60.0° |
| H2 | N1 | C5 | H12 | 60.0° | 60.1° |
| H4 | C7 | C6 | H13 | 179.7° | 63.2° |
| H4 | C7 | C6 | H14 | 59.3° | 56.9° |
| H5 | C7 | C6 | H13 | 61.9° | 56.8° |
| H5 | C7 | C6 | H14 | 59.1° | 176.9° |
| H6 | C8 | C9 | H8 | 67.5° | 176.9° |
| H6 | C8 | C9 | H9 | 53.1° | 56.8° |
| H7 | C8 | C9 | H8 | 172.9° | 56.9° |
| H7 | C8 | C9 | H9 | 66.5° | 63.3° |
| H10 | C1 | C | H16 | 0.3° | 0.3° |
