WGM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C3 | sing | 1.54Å | 1.58Å | |
| C3 | N | sing | 1.49Å | 1.50Å | |
| C4 | N | sing | 1.49Å | 1.50Å | |
| C5 | C4 | sing | 1.54Å | 1.56Å | |
| C1 | C5 | sing | 1.54Å | 1.55Å | |
| O | C5 | sing | 1.43Å | 1.38Å | |
| N | C6 | sing | 1.39Å | 1.45Å | |
| C6 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| N1 | C7 | doub | 1.32Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C10 | doub | 1.39Å | 1.45Å | Aromatic |
| C10 | F | sing | 1.35Å | 1.33Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 109.2° | 110.3° |
| C | C1 | C3 | 110.9° | 110.3° |
| C | C1 | C5 | 111.9° | 110.4° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H2 | 109.4° | 109.5° |
| C2 | C1 | C3 | 112.1° | 110.3° |
| C2 | C1 | C5 | 110.8° | 110.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C1 | C3 | N | 105.5° | 104.6° |
| C3 | C1 | C5 | 101.6° | 105.0° |
| C1 | C3 | H7 | 110.4° | 110.4° |
| C1 | C3 | H6 | 110.4° | 110.4° |
| C3 | N | C4 | 110.6° | 104.2° |
| C3 | N | C6 | 126.2° | 111.0° |
| N | C3 | H7 | 110.5° | 110.5° |
| N | C3 | H6 | 110.5° | 110.4° |
| N | C4 | C5 | 101.9° | 104.6° |
| C4 | N | C6 | 122.3° | 111.0° |
| N | C4 | H9 | 111.3° | 110.4° |
| N | C4 | H8 | 111.3° | 110.4° |
| C4 | C5 | C1 | 104.2° | 105.1° |
| C4 | C5 | O | 111.0° | 110.3° |
| C5 | C4 | H9 | 111.3° | 110.4° |
| C5 | C4 | H8 | 111.4° | 110.5° |
| C4 | C5 | H10 | 110.2° | 110.3° |
| C1 | C5 | O | 108.0° | 110.4° |
| C1 | C5 | H10 | 110.3° | 110.3° |
| O | C5 | H10 | 112.9° | 110.2° |
| C5 | O | H11 | 109.5° | 114.0° |
| N | C6 | N1 | 117.3° | 119.7° |
| N | C6 | C10 | 123.8° | 119.7° |
| C6 | N1 | C7 | 119.0° | 121.6° |
| N1 | C6 | C10 | 118.9° | 120.6° |
| N1 | C7 | C8 | 123.7° | 120.9° |
| N1 | C7 | H12 | 118.2° | 119.5° |
| C7 | C8 | C9 | 118.7° | 119.3° |
| C8 | C7 | H12 | 118.2° | 119.5° |
| C7 | C8 | H13 | 120.7° | 120.4° |
| C8 | C9 | C10 | 119.6° | 118.5° |
| C9 | C8 | H13 | 120.6° | 120.3° |
| C8 | C9 | H14 | 120.2° | 120.8° |
| C9 | C10 | C6 | 120.1° | 119.0° |
| C9 | C10 | F | 117.2° | 120.5° |
| C10 | C9 | H14 | 120.2° | 120.7° |
| C6 | C10 | F | 122.7° | 120.5° |
| H9 | C4 | H8 | 109.5° | 110.4° |
| H1 | C | H | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.4° | 109.4° |
| H4 | C2 | H3 | 109.5° | 109.5° |
| H5 | C2 | H3 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 123.4° | 122.1° |
| C | C1 | C2 | C5 | 123.8° | 122.2° |
| C | C1 | C3 | C5 | 119.2° | 118.9° |
| C | C1 | C3 | N | 94.8° | 142.8° |
| C | C1 | C5 | C4 | 79.8° | 118.9° |
| C | C1 | C5 | O | 162.2° | 122.1° |
| C | C1 | C5 | H10 | 38.4° | 0.0° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C | C1 | C2 | H4 | 180.0° | 59.3° |
| C | C1 | C2 | H5 | 60.0° | 179.3° |
| C | C1 | C2 | H3 | 60.0° | 60.7° |
| C | C1 | C3 | H7 | 145.8° | 24.0° |
| C | C1 | C3 | H6 | 24.6° | 98.5° |
| C2 | C1 | C3 | C5 | 118.4° | 119.0° |
| C2 | C1 | C3 | N | 142.8° | 95.1° |
| C2 | C1 | C5 | C4 | 158.0° | 118.9° |
| C2 | C1 | C5 | O | 40.0° | 0.1° |
| C2 | C1 | C5 | H10 | 83.8° | 122.2° |
| C2 | C1 | C | H1 | 180.0° | 60.7° |
| C2 | C1 | C | H | 60.0° | 59.4° |
| C2 | C1 | C | H2 | 60.0° | 179.3° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | H4 | H3 | 120.0° | 120.0° |
| C1 | C2 | H5 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H7 | 23.4° | 146.1° |
| C2 | C1 | C3 | H6 | 97.8° | 23.6° |
| C1 | C3 | N | H7 | 119.4° | 118.8° |
| C1 | C3 | N | H6 | 119.4° | 118.7° |
| C1 | C3 | N | C4 | 0.8° | 39.5° |
| C3 | C1 | C5 | C4 | 38.7° | 0.0° |
| C3 | C1 | C5 | O | 79.4° | 119.0° |
| C1 | C3 | N | C6 | 168.5° | 159.0° |
| C3 | C1 | C5 | H10 | 156.9° | 118.9° |
| C3 | C1 | C | H1 | 55.9° | 61.4° |
| C3 | C1 | C | H | 64.1° | 178.5° |
| C3 | C1 | C | H2 | 175.9° | 58.6° |
| C3 | C1 | C2 | H4 | 56.6° | 62.8° |
| C3 | C1 | C2 | H5 | 176.6° | 57.2° |
| C3 | C1 | C2 | H3 | 63.4° | 177.2° |
| C1 | C3 | H7 | H6 | 121.8° | 122.4° |
| C3 | N | C4 | C6 | 169.8° | 119.5° |
| C3 | N | C4 | C5 | 23.0° | 39.5° |
| N | C3 | C1 | C5 | 24.4° | 23.9° |
| C3 | N | C6 | N1 | 165.8° | 4.7° |
| C3 | N | C6 | C10 | 14.3° | 175.2° |
| C3 | N | C4 | H9 | 141.8° | 79.3° |
| C3 | N | C4 | H8 | 95.8° | 158.4° |
| N | C3 | H7 | H6 | 121.9° | 122.4° |
| N | C4 | C5 | H9 | 118.8° | 118.8° |
| N | C4 | C5 | H8 | 118.8° | 118.8° |
| N | C4 | C5 | C1 | 38.3° | 23.9° |
| N | C4 | C5 | O | 77.6° | 95.2° |
| C4 | N | C6 | N1 | 2.3° | 120.1° |
| C4 | N | C6 | C10 | 177.6° | 59.8° |
| N | C4 | H9 | H8 | 123.5° | 122.4° |
| N | C4 | C5 | H10 | 156.6° | 142.8° |
| C4 | N | C3 | H7 | 118.6° | 79.3° |
| C4 | N | C3 | H6 | 120.2° | 158.2° |
| C4 | C5 | C1 | O | 118.0° | 119.0° |
| C4 | C5 | C1 | H10 | 118.2° | 118.9° |
| C4 | C5 | O | H10 | 124.2° | 122.1° |
| C5 | C4 | N | C6 | 167.2° | 159.0° |
| C5 | C4 | H9 | H8 | 123.5° | 122.4° |
| C4 | C5 | O | H11 | 180.0° | 61.4° |
| C1 | C5 | O | H10 | 122.2° | 122.1° |
| C1 | C5 | C4 | H9 | 157.1° | 94.9° |
| C1 | C5 | C4 | H8 | 80.5° | 142.7° |
| C5 | C1 | C | H1 | 56.9° | 177.1° |
| C5 | C1 | C | H | 176.9° | 62.9° |
| C5 | C1 | C | H2 | 63.1° | 57.1° |
| C1 | C5 | O | H11 | 66.4° | 177.2° |
| C5 | C1 | C2 | H4 | 56.2° | 178.5° |
| C5 | C1 | C2 | H5 | 63.8° | 58.5° |
| C5 | C1 | C2 | H3 | 176.2° | 61.5° |
| C5 | C1 | C3 | H7 | 95.0° | 95.0° |
| C5 | C1 | C3 | H6 | 143.8° | 142.6° |
| O | C5 | C4 | H9 | 41.1° | 146.0° |
| O | C5 | C4 | H8 | 163.6° | 23.7° |
| N | C6 | N1 | C10 | 179.9° | 179.9° |
| N | C6 | N1 | C7 | 179.6° | 180.0° |
| N | C6 | C10 | C9 | 178.8° | 180.0° |
| N | C6 | C10 | F | 3.7° | 0.1° |
| C6 | N | C4 | H9 | 48.5° | 40.2° |
| C6 | N | C4 | H8 | 74.0° | 82.1° |
| C6 | N | C3 | H7 | 72.1° | 40.2° |
| C6 | N | C3 | H6 | 49.1° | 82.2° |
| C6 | N1 | C7 | C8 | 0.4° | 0.0° |
| N1 | C6 | C10 | C9 | 1.2° | 0.1° |
| N1 | C6 | C10 | F | 176.3° | 180.0° |
| C6 | N1 | C7 | H12 | 179.6° | 180.0° |
| N1 | C7 | C8 | H12 | 180.0° | 180.0° |
| N1 | C7 | C8 | C9 | 0.4° | 0.1° |
| C7 | N1 | C6 | C10 | 0.5° | 0.0° |
| N1 | C7 | C8 | H13 | 179.5° | 179.9° |
| C7 | C8 | C9 | H13 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H14 | 179.7° | 180.0° |
| C8 | C9 | C10 | H14 | 180.0° | 179.9° |
| C8 | C9 | C10 | C6 | 1.2° | 0.0° |
| C8 | C9 | C10 | F | 176.5° | 180.0° |
| C9 | C8 | C7 | H12 | 179.6° | 180.0° |
| C9 | C10 | C6 | F | 177.5° | 179.9° |
| C10 | C9 | C8 | H13 | 179.7° | 180.0° |
| C6 | C10 | C9 | H14 | 178.9° | 179.9° |
| F | C10 | C9 | H14 | 3.5° | 0.0° |
| H9 | C4 | C5 | H10 | 84.6° | 24.0° |
| H8 | C4 | C5 | H10 | 37.8° | 98.4° |
| H10 | C5 | O | H11 | 55.8° | 60.7° |
| H12 | C7 | C8 | H13 | 0.5° | 0.0° |
| H13 | C8 | C9 | H14 | 0.3° | 0.0° |
| H1 | C | H | H2 | 120.0° | 120.0° |
| H4 | C2 | H5 | H3 | 120.0° | 120.0° |
