W3W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| F1 | C17 | sing | 1.35Å | 1.36Å | |
| C1 | N2 | sing | 1.46Å | 1.48Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| N2 | C11 | sing | 1.37Å | 1.37Å | |
| N2 | C14 | sing | 1.34Å | 1.38Å | |
| C11 | C12 | doub | 1.36Å | 1.35Å | |
| O1 | C14 | doub | 1.22Å | 1.22Å | |
| C14 | N3 | sing | 1.34Å | 1.38Å | |
| C12 | C15 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C13 | sing | 1.35Å | 1.39Å | |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | O | doub | 1.22Å | 1.23Å | |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | F | sing | 1.35Å | 1.36Å | |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.48Å | |
| C8 | N1 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| N1 | C10 | sing | 1.35Å | 1.35Å | Aromatic |
| C9 | N | sing | 1.34Å | 1.37Å | Aromatic |
| C10 | N | doub | 1.31Å | 1.32Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N2 | 111.9° | 109.5° |
| C | C1 | C2 | 116.2° | 109.4° |
| C | C1 | H1 | 106.2° | 109.4° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.5° |
| F1 | C17 | C16 | 118.2° | 119.9° |
| F1 | C17 | C18 | 118.0° | 119.9° |
| N2 | C1 | C2 | 108.9° | 109.5° |
| C1 | N2 | C11 | 120.8° | 119.3° |
| C1 | N2 | C14 | 117.8° | 119.3° |
| N2 | C1 | H1 | 106.8° | 109.5° |
| C1 | C2 | C3 | 122.3° | 120.0° |
| C1 | C2 | C7 | 119.0° | 119.9° |
| C2 | C1 | H1 | 106.3° | 109.5° |
| C17 | C16 | C15 | 118.4° | 119.9° |
| C16 | C17 | C18 | 123.7° | 120.1° |
| C17 | C16 | H7 | 120.8° | 120.1° |
| C16 | C15 | C12 | 119.7° | 120.1° |
| C16 | C15 | C20 | 119.7° | 119.8° |
| C15 | C16 | H7 | 120.8° | 120.1° |
| C17 | C18 | C19 | 116.0° | 120.2° |
| C17 | C18 | H17 | 122.0° | 119.9° |
| C11 | N2 | C14 | 121.3° | 121.4° |
| N2 | C11 | C12 | 123.9° | 119.5° |
| N2 | C11 | H6 | 118.1° | 120.2° |
| N2 | C14 | O1 | 122.5° | 119.1° |
| N2 | C14 | N3 | 115.0° | 121.8° |
| C11 | C12 | C15 | 119.7° | 120.8° |
| C11 | C12 | C13 | 118.2° | 118.3° |
| C12 | C11 | H6 | 118.0° | 120.3° |
| O1 | C14 | N3 | 122.5° | 119.1° |
| C14 | N3 | C13 | 127.2° | 120.3° |
| C14 | N3 | H14 | 116.4° | 119.8° |
| C15 | C12 | C13 | 122.1° | 120.9° |
| C12 | C15 | C20 | 120.6° | 120.1° |
| C12 | C13 | N3 | 114.3° | 118.7° |
| C12 | C13 | O | 125.5° | 120.6° |
| C2 | C3 | C4 | 120.5° | 120.4° |
| C3 | C2 | C7 | 118.7° | 120.1° |
| C2 | C3 | H2 | 119.8° | 119.8° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C4 | C3 | H2 | 119.7° | 119.8° |
| C3 | C4 | H15 | 119.8° | 119.9° |
| N3 | C13 | O | 120.2° | 120.7° |
| C13 | N3 | H14 | 116.4° | 119.9° |
| C15 | C20 | C19 | 118.4° | 119.9° |
| C15 | C20 | H8 | 120.8° | 120.1° |
| C2 | C7 | C6 | 121.4° | 119.8° |
| C2 | C7 | H3 | 119.3° | 120.1° |
| C18 | C19 | C20 | 123.8° | 120.1° |
| C18 | C19 | F | 117.9° | 119.9° |
| C19 | C18 | H17 | 122.0° | 119.9° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C5 | C4 | H15 | 119.8° | 120.0° |
| C4 | C5 | H16 | 119.9° | 120.0° |
| C20 | C19 | F | 118.3° | 120.0° |
| C19 | C20 | H8 | 120.8° | 120.0° |
| C7 | C6 | C5 | 118.9° | 119.7° |
| C7 | C6 | C8 | 120.4° | 120.1° |
| C6 | C7 | H3 | 119.3° | 120.1° |
| C5 | C6 | C8 | 120.7° | 120.1° |
| C6 | C5 | H16 | 119.9° | 120.1° |
| C6 | C8 | N1 | 125.9° | 126.7° |
| C6 | C8 | C9 | 129.3° | 126.8° |
| N1 | C8 | C9 | 104.8° | 106.5° |
| C8 | N1 | C10 | 107.4° | 107.1° |
| C8 | N1 | H13 | 126.3° | 126.4° |
| C8 | C9 | N | 110.9° | 107.9° |
| C8 | C9 | H4 | 124.6° | 126.1° |
| N1 | C10 | N | 112.1° | 109.0° |
| N1 | C10 | H5 | 124.0° | 125.5° |
| C10 | N1 | H13 | 126.3° | 126.5° |
| C9 | N | C10 | 104.8° | 109.5° |
| N | C9 | H4 | 124.6° | 126.0° |
| N | C10 | H5 | 123.9° | 125.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N2 | C2 | 129.8° | 120.0° |
| C | C1 | N2 | H1 | 115.8° | 120.0° |
| C | C1 | C2 | H1 | 117.9° | 119.9° |
| C | C1 | N2 | C11 | 34.8° | 56.8° |
| C | C1 | N2 | C14 | 148.5° | 123.1° |
| C | C1 | C2 | C3 | 67.2° | 26.0° |
| C | C1 | C2 | C7 | 113.5° | 153.7° |
| C1 | C | H10 | H11 | 120.0° | 119.9° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| F1 | C17 | C16 | C18 | 179.8° | 180.0° |
| F1 | C17 | C16 | C15 | 179.5° | 180.0° |
| F1 | C17 | C18 | C19 | 180.0° | 179.7° |
| F1 | C17 | C16 | H7 | 0.5° | 0.0° |
| F1 | C17 | C18 | H17 | 0.0° | 0.0° |
| N2 | C1 | C2 | H1 | 114.7° | 120.1° |
| C1 | N2 | C11 | C14 | 176.6° | 180.0° |
| C1 | N2 | C11 | C12 | 178.5° | 180.0° |
| C1 | N2 | C14 | O1 | 2.2° | 0.3° |
| C1 | N2 | C14 | N3 | 178.2° | 179.4° |
| N2 | C1 | C2 | C3 | 165.4° | 146.0° |
| N2 | C1 | C2 | C7 | 13.9° | 33.7° |
| C1 | N2 | C11 | H6 | 1.5° | 0.2° |
| N2 | C1 | C | H10 | 180.0° | 60.0° |
| N2 | C1 | C | H11 | 60.0° | 180.0° |
| N2 | C1 | C | H12 | 60.0° | 60.0° |
| C2 | C1 | N2 | C11 | 95.0° | 63.1° |
| C2 | C1 | N2 | C14 | 81.7° | 116.9° |
| C1 | C2 | C3 | C7 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C7 | C6 | 179.4° | 180.0° |
| C1 | C2 | C3 | H2 | 0.5° | 0.0° |
| C1 | C2 | C7 | H3 | 0.5° | 0.0° |
| C2 | C1 | C | H10 | 54.0° | 60.0° |
| C2 | C1 | C | H11 | 174.1° | 60.0° |
| C2 | C1 | C | H12 | 66.0° | 180.0° |
| C17 | C16 | C15 | H7 | 180.0° | 179.9° |
| C17 | C16 | C15 | C12 | 179.1° | 180.0° |
| C17 | C16 | C15 | C20 | 0.8° | 0.2° |
| C16 | C17 | C18 | C19 | 0.2° | 0.3° |
| C16 | C17 | C18 | H17 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C12 | C11 | 45.2° | 64.7° |
| C16 | C15 | C12 | C20 | 178.2° | 179.8° |
| C16 | C15 | C12 | C13 | 135.5° | 115.2° |
| C16 | C15 | C20 | C19 | 1.0° | 0.2° |
| C16 | C15 | C20 | H8 | 179.0° | 179.7° |
| C17 | C18 | C19 | H17 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C17 | C18 | C19 | F | 179.9° | 179.7° |
| C18 | C17 | C16 | H7 | 179.7° | 180.0° |
| N2 | C11 | C12 | H6 | 180.0° | 179.8° |
| C11 | N2 | C14 | O1 | 178.9° | 179.8° |
| C11 | N2 | C14 | N3 | 1.5° | 0.6° |
| N2 | C11 | C12 | C15 | 179.5° | 179.8° |
| N2 | C11 | C12 | C13 | 1.2° | 0.3° |
| C11 | N2 | C1 | H1 | 150.6° | 176.8° |
| C14 | N2 | C11 | C12 | 1.9° | 0.0° |
| N2 | C14 | O1 | N3 | 179.6° | 179.2° |
| N2 | C14 | N3 | C13 | 0.5° | 0.9° |
| C14 | N2 | C1 | H1 | 32.7° | 3.1° |
| C14 | N2 | C11 | H6 | 178.1° | 179.7° |
| N2 | C14 | N3 | H14 | 179.4° | 180.0° |
| C11 | C12 | C15 | C13 | 179.2° | 179.9° |
| C11 | C12 | C13 | N3 | 0.2° | 0.0° |
| C11 | C12 | C15 | C20 | 133.0° | 115.0° |
| C11 | C12 | C13 | O | 179.6° | 180.0° |
| O1 | C14 | N3 | C13 | 179.8° | 180.0° |
| O1 | C14 | N3 | H14 | 0.2° | 0.8° |
| C14 | N3 | C13 | C12 | 0.0° | 0.5° |
| C14 | N3 | C13 | H14 | 180.0° | 179.2° |
| C14 | N3 | C13 | O | 179.9° | 179.5° |
| C15 | C12 | C13 | N3 | 179.5° | 179.9° |
| C15 | C12 | C13 | O | 0.4° | 0.1° |
| C12 | C15 | C20 | C19 | 179.2° | 180.0° |
| C15 | C12 | C11 | H6 | 0.4° | 0.1° |
| C12 | C15 | C16 | H7 | 0.9° | 0.1° |
| C12 | C15 | C20 | H8 | 0.8° | 0.1° |
| C12 | C13 | N3 | O | 179.8° | 180.0° |
| C13 | C12 | C15 | C20 | 46.2° | 65.0° |
| C13 | C12 | C11 | H6 | 178.8° | 180.0° |
| C12 | C13 | N3 | H14 | 180.0° | 179.7° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | H1 | 50.7° | 93.9° |
| C3 | C2 | C7 | H3 | 179.8° | 179.7° |
| C2 | C3 | C4 | H15 | 179.8° | 179.9° |
| C4 | C3 | C2 | C7 | 0.2° | 0.3° |
| C3 | C4 | C5 | H15 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | H16 | 179.8° | 180.0° |
| C15 | C20 | C19 | C18 | 0.5° | 0.1° |
| C15 | C20 | C19 | H8 | 180.0° | 179.9° |
| C15 | C20 | C19 | F | 179.5° | 180.0° |
| C20 | C15 | C16 | H7 | 179.1° | 179.7° |
| C2 | C7 | C6 | H3 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.1° | 0.1° |
| C2 | C7 | C6 | C8 | 179.9° | 180.0° |
| C7 | C2 | C1 | H1 | 128.6° | 86.4° |
| C7 | C2 | C3 | H2 | 179.8° | 179.8° |
| O | C13 | N3 | H14 | 0.1° | 0.3° |
| C18 | C19 | C20 | F | 180.0° | 180.0° |
| C18 | C19 | C20 | H8 | 179.5° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.4° |
| C4 | C5 | C6 | H16 | 180.0° | 179.6° |
| C4 | C5 | C6 | C8 | 179.9° | 179.7° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C20 | C19 | C18 | H17 | 179.9° | 180.0° |
| F | C19 | C20 | H8 | 0.5° | 0.1° |
| F | C19 | C18 | H17 | 0.1° | 0.0° |
| C7 | C6 | C5 | C8 | 180.0° | 179.9° |
| C7 | C6 | C8 | N1 | 0.7° | 180.0° |
| C7 | C6 | C8 | C9 | 179.5° | 0.3° |
| C7 | C6 | C5 | H16 | 179.9° | 180.0° |
| C5 | C6 | C8 | N1 | 179.3° | 0.1° |
| C5 | C6 | C8 | C9 | 0.6° | 179.6° |
| C5 | C6 | C7 | H3 | 179.9° | 180.0° |
| C6 | C5 | C4 | H15 | 179.8° | 179.8° |
| C6 | C8 | N1 | C9 | 179.9° | 179.7° |
| C6 | C8 | N1 | C10 | 180.0° | 179.8° |
| C6 | C8 | C9 | N | 180.0° | 179.7° |
| C8 | C6 | C7 | H3 | 0.1° | 0.1° |
| C6 | C8 | C9 | H4 | 0.0° | 0.2° |
| C6 | C8 | N1 | H13 | 0.0° | 0.3° |
| C8 | C6 | C5 | H16 | 0.1° | 0.1° |
| C8 | N1 | C10 | H13 | 180.0° | 179.9° |
| N1 | C8 | C9 | N | 0.1° | 0.0° |
| C8 | N1 | C10 | N | 0.1° | 0.1° |
| N1 | C8 | C9 | H4 | 179.9° | 180.0° |
| C8 | N1 | C10 | H5 | 179.9° | 180.0° |
| C9 | C8 | N1 | C10 | 0.1° | 0.0° |
| C8 | C9 | N | H4 | 180.0° | 180.0° |
| C8 | C9 | N | C10 | 0.0° | 0.1° |
| C9 | C8 | N1 | H13 | 179.9° | 180.0° |
| N1 | C10 | N | C9 | 0.1° | 0.1° |
| N1 | C10 | N | H5 | 180.0° | 179.9° |
| C9 | N | C10 | H5 | 180.0° | 180.0° |
| C10 | N | C9 | H4 | 180.0° | 180.0° |
| N | C10 | N1 | H13 | 179.9° | 180.0° |
| H1 | C1 | C | H10 | 63.9° | 179.9° |
| H1 | C1 | C | H11 | 56.2° | 60.0° |
| H1 | C1 | C | H12 | 176.1° | 60.0° |
| H2 | C3 | C4 | H15 | 0.2° | 0.0° |
| H5 | C10 | N1 | H13 | 0.1° | 0.1° |
| H10 | C | H11 | H12 | 120.0° | 120.1° |
| H15 | C4 | C5 | H16 | 0.2° | 0.1° |
