SV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C4 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.44Å | 1.46Å | |
| N | C5 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | N1 | sing | 1.39Å | 1.44Å | |
| C5 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| N1 | C10 | sing | 1.48Å | 1.43Å | |
| C8 | N2 | sing | 1.44Å | 1.46Å | |
| C10 | C9 | sing | 1.46Å | 1.53Å | |
| N2 | C9 | sing | 1.48Å | 1.46Å | |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.48Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | H17 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 113.4° | 111.7° |
| C7 | C6 | N1 | 119.7° | 112.7° |
| C7 | C6 | H2 | 106.8° | 108.8° |
| C7 | C6 | H3 | 106.8° | 108.7° |
| C6 | C7 | H4 | 108.5° | 109.0° |
| C6 | C7 | H5 | 108.5° | 109.1° |
| C7 | C8 | N2 | 110.5° | 112.6° |
| C8 | C7 | H4 | 108.5° | 109.0° |
| C8 | C7 | H5 | 108.5° | 109.1° |
| C7 | C8 | H6 | 109.2° | 108.9° |
| C7 | C8 | H7 | 109.2° | 108.8° |
| N | C4 | C3 | 124.1° | 120.8° |
| C4 | N | C5 | 116.5° | 121.6° |
| N | C4 | H1 | 118.0° | 119.5° |
| C4 | C3 | C2 | 117.5° | 119.4° |
| C3 | C4 | H1 | 117.9° | 119.6° |
| C4 | C3 | H14 | 121.2° | 120.3° |
| C6 | N1 | C5 | 115.8° | 111.0° |
| C6 | N1 | C10 | 118.4° | 109.9° |
| N1 | C6 | H2 | 106.8° | 108.9° |
| N1 | C6 | H3 | 106.9° | 108.9° |
| N | C5 | N1 | 118.6° | 119.7° |
| N | C5 | C1 | 124.4° | 120.6° |
| C3 | C2 | C1 | 120.1° | 118.5° |
| C3 | C2 | H13 | 119.9° | 120.8° |
| C2 | C3 | H14 | 121.3° | 120.4° |
| N1 | C5 | C1 | 117.0° | 119.7° |
| C5 | N1 | C10 | 111.9° | 111.0° |
| C5 | C1 | C2 | 117.2° | 119.1° |
| C5 | C1 | C | 121.8° | 120.4° |
| N1 | C10 | C9 | 116.5° | 112.2° |
| N1 | C10 | H8 | 107.7° | 108.9° |
| N1 | C10 | H9 | 107.7° | 108.9° |
| C8 | N2 | C9 | 122.3° | 109.9° |
| N2 | C8 | H6 | 109.2° | 108.8° |
| N2 | C8 | H7 | 109.2° | 108.8° |
| C8 | N2 | H17 | 106.2° | 111.0° |
| C10 | C9 | N2 | 116.2° | 112.2° |
| C9 | C10 | H8 | 107.7° | 108.9° |
| C9 | C10 | H9 | 107.7° | 109.0° |
| C10 | C9 | H15 | 107.8° | 109.0° |
| C10 | C9 | H16 | 107.7° | 109.0° |
| N2 | C9 | H15 | 107.8° | 108.9° |
| N2 | C9 | H16 | 107.8° | 108.8° |
| C9 | N2 | H17 | 106.2° | 111.0° |
| C2 | C1 | C | 120.9° | 120.4° |
| C1 | C2 | H13 | 119.9° | 120.7° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| H2 | C6 | H3 | 109.5° | 108.8° |
| H4 | C7 | H5 | 109.5° | 108.9° |
| H6 | C8 | H7 | 109.5° | 108.8° |
| H8 | C10 | H9 | 109.5° | 108.8° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.4° | 109.4° |
| H11 | C | H12 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H4 | 120.6° | 120.5° |
| C6 | C7 | C8 | H5 | 120.6° | 120.6° |
| C7 | C6 | N1 | H2 | 121.4° | 120.8° |
| C7 | C6 | N1 | H3 | 121.4° | 120.7° |
| C7 | C6 | N1 | C5 | 179.5° | 142.5° |
| C7 | C6 | N1 | C10 | 43.5° | 94.3° |
| C6 | C7 | C8 | N2 | 80.8° | 41.1° |
| C7 | C6 | H2 | H3 | 115.3° | 118.3° |
| C6 | C7 | H4 | H5 | 118.2° | 118.9° |
| C6 | C7 | C8 | H6 | 39.4° | 79.7° |
| C6 | C7 | C8 | H7 | 159.1° | 161.9° |
| C8 | C7 | C6 | N1 | 32.2° | 41.1° |
| C7 | C8 | N2 | H6 | 120.1° | 120.8° |
| C7 | C8 | N2 | H7 | 120.2° | 120.8° |
| C7 | C8 | N2 | C9 | 74.4° | 94.3° |
| C8 | C7 | C6 | H2 | 153.6° | 161.9° |
| C8 | C7 | C6 | H3 | 89.3° | 79.7° |
| C8 | C7 | H4 | H5 | 118.2° | 118.9° |
| C7 | C8 | H6 | H7 | 119.5° | 118.5° |
| C7 | C8 | N2 | H17 | 163.8° | 142.4° |
| N | C4 | C3 | H1 | 180.0° | 179.7° |
| N | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | N | C5 | N1 | 177.2° | 179.9° |
| C4 | N | C5 | C1 | 0.4° | 0.0° |
| N | C4 | C3 | H14 | 179.8° | 179.9° |
| C3 | C4 | N | C5 | 0.6° | 0.0° |
| C4 | C3 | C2 | H14 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C4 | C3 | C2 | H13 | 178.7° | 180.0° |
| C6 | N1 | C5 | N | 71.9° | 61.7° |
| C6 | N1 | C5 | C10 | 139.7° | 122.6° |
| C6 | N1 | C5 | C1 | 105.8° | 118.2° |
| C6 | N1 | C10 | C9 | 79.8° | 80.3° |
| N1 | C6 | H2 | H3 | 115.4° | 118.5° |
| N1 | C6 | C7 | H4 | 152.8° | 79.5° |
| N1 | C6 | C7 | H5 | 88.4° | 161.7° |
| C6 | N1 | C10 | H8 | 41.2° | 40.4° |
| C6 | N1 | C10 | H9 | 159.2° | 159.0° |
| N | C5 | N1 | C1 | 177.7° | 179.9° |
| N | C5 | N1 | C10 | 67.8° | 60.8° |
| N | C5 | C1 | C2 | 1.8° | 0.0° |
| N | C5 | C1 | C | 175.5° | 180.0° |
| C5 | N | C4 | H1 | 179.3° | 179.7° |
| C3 | C2 | C1 | C5 | 2.2° | 0.0° |
| C3 | C2 | C1 | H13 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 175.1° | 180.0° |
| C2 | C3 | C4 | H1 | 179.8° | 179.7° |
| C5 | N1 | C10 | C9 | 141.7° | 156.5° |
| N1 | C5 | C1 | C2 | 175.8° | 180.0° |
| N1 | C5 | C1 | C | 6.9° | 0.1° |
| C5 | N1 | C6 | H2 | 59.1° | 21.7° |
| C5 | N1 | C6 | H3 | 58.0° | 96.8° |
| C5 | N1 | C10 | H8 | 97.3° | 82.9° |
| C5 | N1 | C10 | H9 | 20.7° | 35.7° |
| C1 | C5 | N1 | C10 | 114.5° | 119.2° |
| C5 | C1 | C2 | C | 177.3° | 180.0° |
| C5 | C1 | C | H10 | 88.6° | 84.7° |
| C5 | C1 | C | H11 | 151.4° | 155.3° |
| C5 | C1 | C | H12 | 31.4° | 35.3° |
| C5 | C1 | C2 | H13 | 177.8° | 180.0° |
| N1 | C10 | C9 | H8 | 121.0° | 120.7° |
| N1 | C10 | C9 | H9 | 121.0° | 120.7° |
| N1 | C10 | C9 | N2 | 57.8° | 60.6° |
| C10 | N1 | C6 | H2 | 77.9° | 144.9° |
| C10 | N1 | C6 | H3 | 165.0° | 26.4° |
| N1 | C10 | H8 | H9 | 116.8° | 118.6° |
| N1 | C10 | C9 | H15 | 178.8° | 178.6° |
| N1 | C10 | C9 | H16 | 63.2° | 59.9° |
| C8 | N2 | C9 | C10 | 50.0° | 80.3° |
| C8 | N2 | C9 | H17 | 121.8° | 123.2° |
| N2 | C8 | C7 | H4 | 158.6° | 161.7° |
| N2 | C8 | C7 | H5 | 39.8° | 79.5° |
| N2 | C8 | H6 | H7 | 119.5° | 118.4° |
| C8 | N2 | C9 | H15 | 171.0° | 158.9° |
| C8 | N2 | C9 | H16 | 70.9° | 40.4° |
| C10 | C9 | N2 | H15 | 121.0° | 120.8° |
| C10 | C9 | N2 | H16 | 121.0° | 120.7° |
| C9 | C10 | H8 | H9 | 116.8° | 118.7° |
| C10 | C9 | H15 | H16 | 116.9° | 118.8° |
| C10 | C9 | N2 | H17 | 171.8° | 156.5° |
| C9 | N2 | C8 | H6 | 45.7° | 26.5° |
| C9 | N2 | C8 | H7 | 165.4° | 144.9° |
| N2 | C9 | C10 | H8 | 63.2° | 60.0° |
| N2 | C9 | C10 | H9 | 178.8° | 178.7° |
| N2 | C9 | H15 | H16 | 117.0° | 118.5° |
| C2 | C1 | C | H10 | 88.6° | 95.3° |
| C2 | C1 | C | H11 | 31.4° | 24.7° |
| C2 | C1 | C | H12 | 151.4° | 144.7° |
| C1 | C2 | C3 | H14 | 178.7° | 179.9° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.1° |
| C | C1 | C2 | H13 | 4.9° | 0.0° |
| H1 | C4 | C3 | H14 | 0.2° | 0.2° |
| H2 | C6 | C7 | H4 | 85.8° | 41.4° |
| H2 | C6 | C7 | H5 | 33.0° | 77.5° |
| H3 | C6 | C7 | H4 | 31.3° | 159.8° |
| H3 | C6 | C7 | H5 | 150.1° | 40.9° |
| H4 | C7 | C8 | H6 | 81.2° | 40.9° |
| H4 | C7 | C8 | H7 | 38.5° | 77.6° |
| H5 | C7 | C8 | H6 | 159.9° | 159.7° |
| H5 | C7 | C8 | H7 | 80.4° | 41.2° |
| H6 | C8 | N2 | H17 | 76.1° | 96.7° |
| H7 | C8 | N2 | H17 | 43.6° | 21.7° |
| H8 | C10 | C9 | H15 | 57.8° | 60.7° |
| H8 | C10 | C9 | H16 | 175.8° | 179.4° |
| H9 | C10 | C9 | H15 | 60.2° | 57.9° |
| H9 | C10 | C9 | H16 | 57.8° | 60.8° |
| H10 | C | H11 | H12 | 120.0° | 119.9° |
| H13 | C2 | C3 | H14 | 1.3° | 0.0° |
| H15 | C9 | N2 | H17 | 67.2° | 35.7° |
| H16 | C9 | N2 | H17 | 50.9° | 82.9° |
