VQF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C4 | doub | 1.29Å | 1.33Å | |
| C8 | N | sing | 1.46Å | 1.43Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C4 | N | sing | 1.38Å | 1.46Å | |
| C4 | C3 | sing | 1.51Å | 1.33Å | |
| N | C5 | sing | 1.35Å | 1.44Å | |
| O | C5 | doub | 1.22Å | 1.18Å | |
| C5 | N1 | sing | 1.34Å | 1.32Å | |
| C3 | C2 | sing | 1.53Å | 1.48Å | |
| C3 | C6 | sing | 1.51Å | 1.49Å | |
| N1 | C6 | sing | 1.35Å | 1.37Å | |
| N1 | C7 | sing | 1.46Å | 1.47Å | |
| C6 | O1 | doub | 1.21Å | 1.07Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C4 | N | 118.1° | 121.3° |
| N2 | C4 | C3 | 125.1° | 121.1° |
| C4 | N2 | H7 | 112.0° | 119.9° |
| C8 | N | C4 | 122.7° | 120.4° |
| C8 | N | C5 | 113.9° | 120.4° |
| N | C8 | H4 | 109.5° | 109.5° |
| N | C8 | H5 | 109.5° | 109.5° |
| N | C8 | H6 | 109.5° | 109.5° |
| C | C1 | C2 | 111.7° | 109.5° |
| C | C1 | H8 | 108.9° | 109.5° |
| C | C1 | H9 | 108.9° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C2 | C3 | 115.3° | 109.5° |
| C2 | C1 | H8 | 108.9° | 109.5° |
| C2 | C1 | H9 | 108.9° | 109.5° |
| C1 | C2 | H11 | 108.0° | 109.5° |
| C1 | C2 | H12 | 108.0° | 109.5° |
| N | C4 | C3 | 116.7° | 117.7° |
| C4 | N | C5 | 123.4° | 119.2° |
| C4 | C3 | C2 | 126.2° | 109.8° |
| C4 | C3 | C6 | 117.7° | 107.8° |
| C4 | C3 | H10 | 94.0° | 109.8° |
| N | C5 | O | 122.6° | 119.1° |
| N | C5 | N1 | 118.4° | 121.9° |
| O | C5 | N1 | 119.0° | 119.1° |
| C5 | N1 | C6 | 119.7° | 122.1° |
| C5 | N1 | C7 | 120.0° | 118.9° |
| C2 | C3 | C6 | 114.8° | 109.4° |
| C2 | C3 | H10 | 93.6° | 109.7° |
| C3 | C2 | H11 | 108.0° | 109.5° |
| C3 | C2 | H12 | 108.0° | 109.5° |
| C3 | C6 | N1 | 123.8° | 119.8° |
| C3 | C6 | O1 | 119.3° | 120.1° |
| C6 | C3 | H10 | 93.6° | 110.2° |
| C6 | N1 | C7 | 120.3° | 118.9° |
| N1 | C6 | O1 | 116.4° | 120.1° |
| N1 | C7 | H1 | 109.5° | 109.5° |
| N1 | C7 | H2 | 109.5° | 109.5° |
| N1 | C7 | H3 | 109.5° | 109.5° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H1 | C7 | H3 | 109.4° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H6 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.4° | 109.4° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C4 | N | C8 | 7.4° | 29.8° |
| N2 | C4 | N | C3 | 179.5° | 180.0° |
| N2 | C4 | N | C5 | 175.1° | 150.9° |
| N2 | C4 | C3 | C2 | 16.8° | 100.0° |
| N2 | C4 | C3 | C6 | 176.9° | 140.9° |
| N2 | C4 | C3 | H10 | 80.7° | 20.8° |
| C8 | N | C4 | C5 | 177.5° | 179.3° |
| C8 | N | C4 | C3 | 172.1° | 150.2° |
| C8 | N | C5 | O | 3.6° | 3.8° |
| C8 | N | C5 | N1 | 175.3° | 176.2° |
| N | C8 | H4 | H5 | 120.0° | 120.0° |
| N | C8 | H4 | H6 | 120.0° | 120.0° |
| N | C8 | H5 | H6 | 120.0° | 120.0° |
| C | C1 | C2 | H8 | 120.3° | 120.1° |
| C | C1 | C2 | H9 | 120.3° | 120.0° |
| C | C1 | C2 | C3 | 74.1° | 180.0° |
| C | C1 | H8 | H9 | 119.0° | 120.0° |
| C | C1 | C2 | H11 | 165.1° | 60.0° |
| C | C1 | C2 | H12 | 46.8° | 59.9° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 76.6° | 175.0° |
| C1 | C2 | C3 | H11 | 120.8° | 120.0° |
| C1 | C2 | C3 | H12 | 120.8° | 120.1° |
| C1 | C2 | C3 | C6 | 116.7° | 66.9° |
| C2 | C1 | H8 | H9 | 119.0° | 119.9° |
| C1 | C2 | C3 | H10 | 21.0° | 54.1° |
| C1 | C2 | H11 | H12 | 117.4° | 120.0° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C4 | N | C5 | O | 178.7° | 176.9° |
| C4 | N | C5 | N1 | 2.4° | 3.1° |
| N | C4 | C3 | C2 | 162.7° | 80.0° |
| N | C4 | C3 | C6 | 3.7° | 39.1° |
| C4 | N | C8 | H4 | 180.0° | 90.0° |
| C4 | N | C8 | H5 | 60.0° | 149.9° |
| C4 | N | C8 | H6 | 60.0° | 30.0° |
| N | C4 | N2 | H7 | 179.4° | 180.0° |
| N | C4 | C3 | H10 | 99.9° | 159.2° |
| C3 | C4 | N | C5 | 5.4° | 29.1° |
| C4 | C3 | C2 | C6 | 166.7° | 118.2° |
| C4 | C3 | C2 | H10 | 97.6° | 120.8° |
| C4 | C3 | C6 | H10 | 96.4° | 119.9° |
| C4 | C3 | C6 | N1 | 0.7° | 27.8° |
| C4 | C3 | C6 | O1 | 171.6° | 152.3° |
| C3 | C4 | N2 | H7 | 0.0° | 0.0° |
| C4 | C3 | C2 | H11 | 44.2° | 55.0° |
| C4 | C3 | C2 | H12 | 162.6° | 64.9° |
| N | C5 | O | N1 | 178.9° | 180.0° |
| N | C5 | N1 | C6 | 2.2° | 9.2° |
| N | C5 | N1 | C7 | 175.9° | 170.6° |
| C5 | N | C8 | H4 | 2.3° | 89.3° |
| C5 | N | C8 | H5 | 122.3° | 30.8° |
| C5 | N | C8 | H6 | 117.7° | 150.7° |
| O | C5 | N1 | C6 | 176.7° | 170.8° |
| O | C5 | N1 | C7 | 5.1° | 9.5° |
| C5 | N1 | C6 | C3 | 3.9° | 5.6° |
| C5 | N1 | C6 | C7 | 178.1° | 179.7° |
| C5 | N1 | C6 | O1 | 168.6° | 174.5° |
| C5 | N1 | C7 | H1 | 180.0° | 89.8° |
| C5 | N1 | C7 | H2 | 60.0° | 30.2° |
| C5 | N1 | C7 | H3 | 60.0° | 150.3° |
| C2 | C3 | C6 | H10 | 95.7° | 120.7° |
| C2 | C3 | C6 | N1 | 168.5° | 91.6° |
| C2 | C3 | C6 | O1 | 3.7° | 88.3° |
| C3 | C2 | C1 | H8 | 46.3° | 59.9° |
| C3 | C2 | C1 | H9 | 165.6° | 60.0° |
| C3 | C2 | H11 | H12 | 117.4° | 120.0° |
| C3 | C6 | N1 | O1 | 172.4° | 179.9° |
| C3 | C6 | N1 | C7 | 174.3° | 174.7° |
| C6 | C3 | C2 | H11 | 122.5° | 173.1° |
| C6 | C3 | C2 | H12 | 4.2° | 53.2° |
| C6 | N1 | C7 | H1 | 1.9° | 90.0° |
| C6 | N1 | C7 | H2 | 118.1° | 150.0° |
| C6 | N1 | C7 | H3 | 121.8° | 30.0° |
| N1 | C6 | C3 | H10 | 95.8° | 147.7° |
| C7 | N1 | C6 | O1 | 13.3° | 5.3° |
| N1 | C7 | H1 | H2 | 120.0° | 120.0° |
| N1 | C7 | H1 | H3 | 120.0° | 120.0° |
| N1 | C7 | H2 | H3 | 120.0° | 120.1° |
| O1 | C6 | C3 | H10 | 92.0° | 32.4° |
| H1 | C7 | H2 | H3 | 120.0° | 119.9° |
| H4 | C8 | H5 | H6 | 120.0° | 119.9° |
| H8 | C1 | C2 | H11 | 74.6° | 60.1° |
| H8 | C1 | C2 | H12 | 167.1° | 180.0° |
| H8 | C1 | C | H13 | 59.6° | 60.0° |
| H8 | C1 | C | H14 | 60.4° | 60.0° |
| H8 | C1 | C | H15 | 179.7° | 179.9° |
| H9 | C1 | C2 | H11 | 44.8° | NaN° |
| H9 | C1 | C2 | H12 | 73.6° | 60.1° |
| H9 | C1 | C | H13 | 59.7° | 180.0° |
| H9 | C1 | C | H14 | 179.7° | 60.0° |
| H9 | C1 | C | H15 | 60.3° | 60.0° |
| H10 | C3 | C2 | H11 | 141.9° | 65.9° |
| H10 | C3 | C2 | H12 | 99.8° | 174.2° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
