W1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | F | sing | 1.35Å | 1.32Å | |
| C4 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.47Å | |
| C7 | N | sing | 1.47Å | 1.58Å | |
| C8 | C9 | sing | 1.51Å | 1.60Å | |
| O | C9 | doub | 1.21Å | 1.21Å | |
| C9 | O1 | sing | 1.34Å | 1.21Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| N | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.5° | 120.1° |
| C1 | C | C5 | 121.1° | 120.0° |
| C | C1 | H5 | 119.8° | 120.0° |
| C1 | C | H10 | 119.5° | 120.0° |
| C1 | C2 | C3 | 118.1° | 119.9° |
| C2 | C1 | H5 | 119.7° | 120.0° |
| C1 | C2 | H9 | 121.0° | 120.0° |
| C | C5 | C4 | 120.3° | 120.0° |
| C | C5 | H6 | 119.9° | 120.0° |
| C5 | C | H10 | 119.4° | 120.0° |
| C2 | C3 | C4 | 121.8° | 120.0° |
| C2 | C3 | F | 116.7° | 120.0° |
| C3 | C2 | H9 | 120.9° | 120.0° |
| C5 | C4 | C3 | 118.2° | 120.0° |
| C5 | C4 | C6 | 118.5° | 120.0° |
| C4 | C5 | H6 | 119.9° | 120.0° |
| C4 | C3 | F | 121.4° | 120.0° |
| C3 | C4 | C6 | 123.2° | 120.0° |
| C4 | C6 | C7 | 108.4° | 109.5° |
| C4 | C6 | H7 | 109.7° | 109.5° |
| C4 | C6 | H8 | 109.7° | 109.5° |
| C6 | C7 | C8 | 108.8° | 109.5° |
| C6 | C7 | N | 107.1° | 109.4° |
| C6 | C7 | H1 | 111.4° | 109.5° |
| C7 | C6 | H7 | 109.8° | 109.5° |
| C7 | C6 | H8 | 109.7° | 109.4° |
| C8 | C7 | N | 106.8° | 109.5° |
| C7 | C8 | C9 | 103.5° | 109.5° |
| C8 | C7 | H1 | 112.1° | 109.5° |
| C7 | C8 | H2 | 111.0° | 109.5° |
| C7 | C8 | H3 | 110.9° | 109.5° |
| N | C7 | H1 | 110.5° | 109.5° |
| C7 | N | H11 | 109.5° | 111.0° |
| C7 | N | H12 | 109.5° | 111.0° |
| C8 | C9 | O | 112.4° | 120.0° |
| C8 | C9 | O1 | 114.3° | 120.1° |
| C9 | C8 | H2 | 111.0° | 109.5° |
| C9 | C8 | H3 | 111.0° | 109.4° |
| O | C9 | O1 | 133.3° | 119.9° |
| C9 | O1 | H4 | 109.5° | 117.1° |
| H2 | C8 | H3 | 109.4° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H11 | N | H12 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H5 | 180.0° | 179.8° |
| C1 | C | C5 | H10 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C | C5 | C4 | 0.1° | 0.1° |
| C1 | C | C5 | H6 | 179.9° | 180.0° |
| C | C1 | C2 | H9 | 179.6° | 179.9° |
| C2 | C1 | C | C5 | 0.4° | 0.1° |
| C1 | C2 | C3 | H9 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | F | 178.4° | 180.0° |
| C2 | C1 | C | H10 | 179.6° | 180.0° |
| C | C5 | C4 | H6 | 180.0° | 179.9° |
| C | C5 | C4 | C3 | 0.4° | 0.0° |
| C | C5 | C4 | C6 | 178.4° | 179.9° |
| C5 | C | C1 | H5 | 179.6° | 179.7° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | F | 178.3° | 180.0° |
| C2 | C3 | C4 | C6 | 178.3° | 180.0° |
| C3 | C2 | C1 | H5 | 179.6° | 179.7° |
| C5 | C4 | C3 | C6 | 178.7° | 180.0° |
| C5 | C4 | C3 | F | 178.7° | 180.0° |
| C5 | C4 | C6 | C7 | 85.2° | 100.0° |
| C5 | C4 | C6 | H7 | 155.0° | 20.0° |
| C5 | C4 | C6 | H8 | 34.6° | 140.0° |
| C4 | C5 | C | H10 | 179.9° | 180.0° |
| C3 | C4 | C6 | C7 | 96.1° | 80.0° |
| C3 | C4 | C5 | H6 | 179.6° | 180.0° |
| C3 | C4 | C6 | H7 | 23.8° | 160.0° |
| C3 | C4 | C6 | H8 | 144.1° | 40.0° |
| C4 | C3 | C2 | H9 | 180.0° | 180.0° |
| F | C3 | C4 | C6 | 0.0° | 0.0° |
| F | C3 | C2 | H9 | 1.6° | 0.0° |
| C4 | C6 | C7 | H7 | 119.8° | 120.0° |
| C4 | C6 | C7 | H8 | 119.8° | 120.0° |
| C4 | C6 | C7 | C8 | 62.9° | 175.0° |
| C4 | C6 | C7 | N | 177.9° | 65.0° |
| C4 | C6 | C7 | H1 | 61.2° | 55.0° |
| C6 | C4 | C5 | H6 | 1.6° | 0.0° |
| C4 | C6 | H7 | H8 | 120.5° | 120.0° |
| C6 | C7 | C8 | N | 115.2° | 120.0° |
| C6 | C7 | C8 | H1 | 123.6° | 120.0° |
| C6 | C7 | N | H1 | 121.4° | 120.0° |
| C6 | C7 | C8 | C9 | 150.1° | 175.0° |
| C6 | C7 | C8 | H2 | 31.0° | 55.0° |
| C6 | C7 | C8 | H3 | 90.9° | 65.0° |
| C7 | C6 | H7 | H8 | 120.5° | 120.0° |
| C6 | C7 | N | H11 | 180.0° | 60.0° |
| C6 | C7 | N | H12 | 60.0° | 64.0° |
| C8 | C7 | N | H1 | 122.2° | 120.0° |
| C7 | C8 | C9 | H2 | 119.1° | 120.0° |
| C7 | C8 | C9 | H3 | 119.0° | 120.0° |
| C7 | C8 | C9 | O | 136.1° | 0.0° |
| C7 | C8 | C9 | O1 | 43.5° | 180.0° |
| C7 | C8 | H2 | H3 | 122.8° | 120.0° |
| C8 | C7 | C6 | H7 | 57.0° | 65.0° |
| C8 | C7 | C6 | H8 | 177.3° | 55.0° |
| C8 | C7 | N | H11 | 63.6° | 60.0° |
| C8 | C7 | N | H12 | 56.4° | 176.0° |
| N | C7 | C8 | C9 | 94.7° | 65.0° |
| N | C7 | C8 | H2 | 146.2° | 175.0° |
| N | C7 | C8 | H3 | 24.4° | 55.0° |
| N | C7 | C6 | H7 | 58.1° | 55.0° |
| N | C7 | C6 | H8 | 62.3° | 175.0° |
| C7 | N | H11 | H12 | 120.0° | 124.0° |
| C8 | C9 | O | O1 | 179.5° | 180.0° |
| C9 | C8 | C7 | H1 | 26.5° | 55.0° |
| C9 | C8 | H2 | H3 | 122.8° | 119.9° |
| C8 | C9 | O1 | H4 | 179.5° | 180.0° |
| O | C9 | C8 | H2 | 17.0° | 120.0° |
| O | C9 | C8 | H3 | 104.9° | 120.0° |
| O | C9 | O1 | H4 | 0.0° | 0.0° |
| O1 | C9 | C8 | H2 | 162.6° | 59.9° |
| O1 | C9 | C8 | H3 | 75.5° | 60.0° |
| H1 | C7 | C8 | H2 | 92.6° | 65.0° |
| H1 | C7 | C8 | H3 | 145.5° | 175.0° |
| H1 | C7 | C6 | H7 | 179.0° | 175.0° |
| H1 | C7 | C6 | H8 | 58.6° | 65.0° |
| H1 | C7 | N | H11 | 58.5° | 180.0° |
| H1 | C7 | N | H12 | 178.5° | 56.0° |
| H5 | C1 | C2 | H9 | 0.4° | 0.3° |
| H5 | C1 | C | H10 | 0.4° | 0.2° |
| H6 | C5 | C | H10 | 0.1° | 0.1° |
