NWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.35Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C8 | O1 | sing | 1.34Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| O1 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.49Å | |
| C4 | N1 | sing | 1.35Å | 1.40Å | |
| C4 | O | doub | 1.22Å | 1.25Å | |
| N2 | C9 | doub | 1.31Å | 1.35Å | Aromatic |
| N2 | N | sing | 1.40Å | 1.38Å | Aromatic |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C9 | C2 | sing | 1.40Å | 1.43Å | Aromatic |
| C | N | sing | 1.46Å | 1.44Å | |
| N | C1 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 105.5° | 107.1° |
| C7 | C8 | O1 | 110.1° | 108.7° |
| C8 | C7 | H3 | 127.2° | 126.4° |
| C7 | C8 | H4 | 125.0° | 125.6° |
| C7 | C6 | C5 | 106.9° | 106.7° |
| C7 | C6 | H2 | 126.5° | 126.6° |
| C6 | C7 | H3 | 127.2° | 126.4° |
| C8 | O1 | C5 | 107.0° | 109.4° |
| O1 | C8 | H4 | 125.0° | 125.6° |
| C6 | C5 | O1 | 110.5° | 108.0° |
| C6 | C5 | C4 | 135.6° | 126.0° |
| C5 | C6 | H2 | 126.6° | 126.7° |
| O1 | C5 | C4 | 113.8° | 126.0° |
| C5 | C4 | N1 | 112.6° | 120.0° |
| C5 | C4 | O | 121.0° | 120.0° |
| N1 | C4 | O | 126.4° | 120.0° |
| C4 | N1 | C3 | 124.2° | 120.0° |
| C4 | N1 | H1 | 117.9° | 120.0° |
| C9 | N2 | N | 105.5° | 108.2° |
| N2 | C9 | C2 | 109.7° | 108.2° |
| N2 | C9 | H11 | 125.2° | 125.9° |
| N2 | N | C | 121.1° | 126.0° |
| N2 | N | C1 | 112.4° | 107.9° |
| N1 | C3 | C2 | 109.5° | 109.4° |
| C3 | N1 | H1 | 117.9° | 120.0° |
| N1 | C3 | H9 | 109.5° | 109.5° |
| N1 | C3 | H10 | 109.5° | 109.5° |
| C9 | C2 | C1 | 107.2° | 108.0° |
| C9 | C2 | C3 | 126.9° | 126.0° |
| C2 | C9 | H11 | 125.2° | 125.9° |
| C | N | C1 | 126.5° | 126.1° |
| N | C | H5 | 109.5° | 109.5° |
| N | C | H6 | 109.5° | 109.5° |
| N | C | H7 | 109.5° | 109.5° |
| N | C1 | C2 | 105.3° | 107.8° |
| N | C1 | H8 | 127.3° | 126.1° |
| C1 | C2 | C3 | 126.0° | 126.0° |
| C2 | C1 | H8 | 127.4° | 126.2° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.4° |
| H5 | C | H7 | 109.5° | 109.4° |
| H6 | C | H7 | 109.4° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H3 | 180.0° | 179.8° |
| C7 | C8 | O1 | H4 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C8 | O1 | C5 | 0.4° | 0.4° |
| C8 | C7 | C6 | H2 | 179.6° | 180.0° |
| C6 | C7 | C8 | O1 | 0.0° | 0.2° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | O1 | 0.7° | 0.3° |
| C7 | C6 | C5 | C4 | 175.7° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C8 | O1 | C5 | C6 | 0.7° | 0.4° |
| C8 | O1 | C5 | C4 | 176.6° | 179.8° |
| O1 | C8 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | O1 | C4 | 177.2° | 179.7° |
| C6 | C5 | C4 | N1 | 5.3° | 180.0° |
| C6 | C5 | C4 | O | 175.7° | 0.0° |
| C5 | C6 | C7 | H3 | 179.6° | 179.7° |
| O1 | C5 | C4 | N1 | 171.0° | 0.3° |
| O1 | C5 | C4 | O | 8.0° | 179.7° |
| O1 | C5 | C6 | H2 | 179.4° | 179.8° |
| C5 | O1 | C8 | H4 | 179.6° | 179.8° |
| C5 | C4 | N1 | O | 178.9° | 180.0° |
| C5 | C4 | N1 | C3 | 180.0° | 180.0° |
| C5 | C4 | N1 | H1 | 0.0° | 0.3° |
| C4 | C5 | C6 | H2 | 4.2° | 0.1° |
| C4 | N1 | C3 | H1 | 180.0° | 179.7° |
| C4 | N1 | C3 | C2 | 86.1° | 179.7° |
| C4 | N1 | C3 | H9 | 33.9° | 60.3° |
| C4 | N1 | C3 | H10 | 153.9° | 59.7° |
| O | C4 | N1 | C3 | 1.0° | 0.0° |
| O | C4 | N1 | H1 | 178.9° | 179.7° |
| N2 | C9 | C2 | H11 | 180.0° | 179.7° |
| C9 | N2 | N | C | 179.0° | 179.9° |
| C9 | N2 | N | C1 | 0.1° | 0.4° |
| N2 | C9 | C2 | C1 | 0.4° | 0.3° |
| N2 | C9 | C2 | C3 | 179.9° | 179.8° |
| N | N2 | C9 | C2 | 0.2° | 0.4° |
| N2 | N | C | C1 | 179.0° | 179.6° |
| N2 | N | C1 | C2 | 0.3° | 0.2° |
| N2 | N | C | H5 | 0.0° | 90.4° |
| N2 | N | C | H6 | 120.0° | 29.6° |
| N2 | N | C | H7 | 120.0° | 149.7° |
| N2 | N | C1 | H8 | 179.6° | 179.7° |
| N | N2 | C9 | H11 | 179.8° | 179.9° |
| N1 | C3 | C2 | C9 | 77.5° | 90.0° |
| N1 | C3 | C2 | C1 | 103.2° | 90.0° |
| N1 | C3 | C2 | H9 | 120.0° | 120.0° |
| N1 | C3 | C2 | H10 | 120.0° | 120.0° |
| N1 | C3 | H9 | H10 | 120.0° | 120.0° |
| C9 | C2 | C1 | N | 0.5° | 0.0° |
| C9 | C2 | C1 | C3 | 179.4° | 179.9° |
| C9 | C2 | C1 | H8 | 179.5° | 180.0° |
| C9 | C2 | C3 | H9 | 162.6° | 150.0° |
| C9 | C2 | C3 | H10 | 42.5° | 29.9° |
| C | N | C1 | C2 | 178.7° | 179.9° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| N | C | H5 | H7 | 120.0° | 120.0° |
| N | C | H6 | H7 | 120.0° | 120.1° |
| C | N | C1 | H8 | 1.3° | 0.0° |
| N | C1 | C2 | H8 | 180.0° | 180.0° |
| N | C1 | C2 | C3 | 179.9° | 180.0° |
| C1 | N | C | H5 | 179.0° | 90.0° |
| C1 | N | C | H6 | 59.0° | 150.0° |
| C1 | N | C | H7 | 61.0° | 30.0° |
| C1 | C2 | C3 | H9 | 16.8° | 29.9° |
| C1 | C2 | C3 | H10 | 136.8° | 150.0° |
| C1 | C2 | C9 | H11 | 179.6° | 180.0° |
| C2 | C3 | N1 | H1 | 93.9° | 0.0° |
| C3 | C2 | C1 | H8 | 0.1° | 0.1° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C3 | C2 | C9 | H11 | 0.2° | 0.1° |
| H1 | N1 | C3 | H9 | 146.1° | 120.0° |
| H1 | N1 | C3 | H10 | 26.1° | 119.9° |
| H2 | C6 | C7 | H3 | 0.3° | 0.2° |
| H3 | C7 | C8 | H4 | 0.0° | 0.3° |
| H5 | C | H6 | H7 | 120.0° | 119.9° |
