8SV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.44Å | |
| O2 | N2 | doub | 1.22Å | 1.22Å | |
| N1 | C2 | sing | 1.40Å | 1.40Å | |
| N2 | O1 | sing | 1.22Å | 1.22Å | |
| N2 | C7 | sing | 1.48Å | 1.46Å | |
| C2 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N4 | sing | 1.39Å | 1.39Å | |
| C5 | N3 | sing | 1.40Å | 1.39Å | |
| N4 | C10 | sing | 1.47Å | 1.46Å | |
| N4 | C9 | sing | 1.35Å | 1.38Å | |
| N3 | C9 | sing | 1.35Å | 1.38Å | |
| N3 | C8 | sing | 1.47Å | 1.45Å | |
| C9 | O3 | doub | 1.22Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 122.5° | 120.0° |
| C1 | N1 | H1 | 106.1° | 119.9° |
| N1 | C1 | H9 | 109.5° | 109.5° |
| N1 | C1 | H10 | 109.5° | 109.5° |
| N1 | C1 | H11 | 109.4° | 109.5° |
| O2 | N2 | O1 | 120.6° | 120.0° |
| O2 | N2 | C7 | 119.8° | 120.0° |
| N1 | C2 | C7 | 119.0° | 119.9° |
| N1 | C2 | C3 | 121.4° | 119.9° |
| C2 | N1 | H1 | 106.1° | 120.1° |
| O1 | N2 | C7 | 119.6° | 120.0° |
| N2 | C7 | C2 | 120.8° | 119.9° |
| N2 | C7 | C6 | 118.5° | 119.9° |
| C7 | C2 | C3 | 119.6° | 120.1° |
| C2 | C7 | C6 | 120.8° | 120.2° |
| C2 | C3 | C4 | 119.7° | 119.8° |
| C2 | C3 | H12 | 120.1° | 120.1° |
| C7 | C6 | C5 | 119.2° | 120.0° |
| C7 | C6 | H2 | 120.4° | 120.1° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | N4 | 133.0° | 133.3° |
| C4 | C3 | H12 | 120.2° | 120.1° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C6 | C5 | N3 | 131.4° | 133.3° |
| C5 | C6 | H2 | 120.4° | 120.0° |
| C5 | C4 | N4 | 106.9° | 106.8° |
| C4 | C5 | N3 | 107.9° | 106.7° |
| C4 | N4 | C10 | 125.7° | 125.7° |
| C4 | N4 | C9 | 108.8° | 108.4° |
| C5 | N3 | C9 | 108.3° | 108.3° |
| C5 | N3 | C8 | 127.0° | 125.8° |
| C10 | N4 | C9 | 125.5° | 125.8° |
| N4 | C10 | H6 | 109.5° | 109.4° |
| N4 | C10 | H7 | 109.5° | 109.4° |
| N4 | C10 | H8 | 109.4° | 109.5° |
| N4 | C9 | N3 | 108.1° | 109.7° |
| N4 | C9 | O3 | 126.3° | 125.1° |
| C9 | N3 | C8 | 124.7° | 125.9° |
| N3 | C9 | O3 | 125.6° | 125.1° |
| N3 | C8 | H3 | 109.5° | 109.4° |
| N3 | C8 | H4 | 109.5° | 109.5° |
| N3 | C8 | H5 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H3 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.4° | 109.5° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 121.8° | 179.7° |
| C1 | N1 | C2 | C7 | 172.3° | 174.0° |
| C1 | N1 | C2 | C3 | 6.4° | 5.9° |
| N1 | C1 | H9 | H10 | 120.0° | 120.0° |
| N1 | C1 | H9 | H11 | 120.0° | 120.0° |
| N1 | C1 | H10 | H11 | 120.0° | 120.0° |
| O2 | N2 | O1 | C7 | 179.0° | 180.0° |
| O2 | N2 | C7 | C2 | 8.2° | 37.4° |
| O2 | N2 | C7 | C6 | 171.5° | 142.6° |
| N1 | C2 | C7 | N2 | 1.7° | 0.0° |
| N1 | C2 | C7 | C3 | 178.8° | 180.0° |
| N1 | C2 | C7 | C6 | 178.6° | 180.0° |
| N1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C2 | N1 | C1 | H9 | 180.0° | 60.0° |
| C2 | N1 | C1 | H10 | 60.0° | 60.0° |
| C2 | N1 | C1 | H11 | 60.0° | 180.0° |
| N1 | C2 | C3 | H12 | 0.8° | 0.0° |
| O1 | N2 | C7 | C2 | 172.8° | 142.6° |
| O1 | N2 | C7 | C6 | 7.5° | 37.4° |
| N2 | C7 | C2 | C6 | 179.7° | 180.0° |
| N2 | C7 | C2 | C3 | 179.5° | 180.0° |
| N2 | C7 | C6 | C5 | 179.0° | 180.0° |
| N2 | C7 | C6 | H2 | 1.0° | 0.0° |
| C7 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C7 | C6 | C5 | 0.7° | 0.0° |
| C7 | C2 | N1 | H1 | 65.9° | 6.3° |
| C2 | C7 | C6 | H2 | 179.3° | 180.0° |
| C7 | C2 | C3 | H12 | 179.6° | 180.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | N4 | 179.8° | 179.7° |
| C3 | C2 | N1 | H1 | 115.4° | 173.8° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.6° | 0.0° |
| C7 | C6 | C5 | N3 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | N4 | 179.7° | 179.8° |
| C3 | C4 | C5 | N3 | 179.8° | 180.0° |
| C3 | C4 | N4 | C10 | 1.3° | 0.3° |
| C3 | C4 | N4 | C9 | 179.7° | 179.9° |
| C6 | C5 | C4 | N3 | 179.8° | 180.0° |
| C6 | C5 | C4 | N4 | 179.7° | 179.8° |
| C6 | C5 | N3 | C9 | 179.8° | 180.0° |
| C6 | C5 | N3 | C8 | 0.4° | 0.3° |
| C5 | C4 | N4 | C10 | 179.0° | 180.0° |
| C5 | C4 | N4 | C9 | 0.6° | 0.4° |
| C4 | C5 | N3 | C9 | 0.4° | 0.0° |
| C4 | C5 | N3 | C8 | 179.9° | 179.7° |
| C4 | C5 | C6 | H2 | 179.3° | 180.0° |
| C5 | C4 | C3 | H12 | 179.5° | 180.0° |
| N4 | C4 | C5 | N3 | 0.1° | 0.2° |
| C4 | N4 | C10 | C9 | 178.2° | 179.6° |
| C4 | N4 | C9 | N3 | 0.9° | 0.4° |
| C4 | N4 | C9 | O3 | 179.6° | 179.7° |
| C4 | N4 | C10 | H6 | 180.0° | 90.0° |
| C4 | N4 | C10 | H7 | 60.0° | 150.0° |
| C4 | N4 | C10 | H8 | 60.0° | 30.0° |
| N4 | C4 | C3 | H12 | 0.2° | 0.3° |
| C5 | N3 | C9 | N4 | 0.8° | 0.3° |
| C5 | N3 | C9 | C8 | 179.4° | 179.7° |
| C5 | N3 | C9 | O3 | 179.7° | 179.8° |
| N3 | C5 | C6 | H2 | 0.4° | 0.0° |
| C5 | N3 | C8 | H3 | 180.0° | 179.7° |
| C5 | N3 | C8 | H4 | 60.0° | 60.4° |
| C5 | N3 | C8 | H5 | 60.0° | 59.7° |
| C10 | N4 | C9 | N3 | 179.3° | 180.0° |
| C10 | N4 | C9 | O3 | 1.2° | 0.1° |
| N4 | C10 | H6 | H7 | 120.0° | 120.0° |
| N4 | C10 | H6 | H8 | 120.0° | 120.0° |
| N4 | C10 | H7 | H8 | 120.0° | 120.0° |
| N4 | C9 | N3 | O3 | 179.5° | 179.9° |
| N4 | C9 | N3 | C8 | 179.7° | 180.0° |
| C9 | N4 | C10 | H6 | 1.8° | 90.5° |
| C9 | N4 | C10 | H7 | 121.8° | 29.5° |
| C9 | N4 | C10 | H8 | 118.2° | 149.5° |
| C9 | N3 | C8 | H3 | 0.7° | 0.1° |
| C9 | N3 | C8 | H4 | 119.3° | 120.0° |
| C9 | N3 | C8 | H5 | 120.7° | 119.9° |
| C8 | N3 | C9 | O3 | 0.2° | 0.1° |
| N3 | C8 | H3 | H4 | 120.0° | 119.9° |
| N3 | C8 | H3 | H5 | 120.0° | 120.0° |
| N3 | C8 | H4 | H5 | 120.0° | 120.1° |
| H1 | N1 | C1 | H9 | 58.2° | 119.7° |
| H1 | N1 | C1 | H10 | 61.8° | 120.3° |
| H1 | N1 | C1 | H11 | 178.2° | 0.3° |
| H3 | C8 | H4 | H5 | 120.0° | 120.0° |
| H6 | C10 | H7 | H8 | 120.0° | 120.1° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
