SW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C | F | sing | 1.35Å | 1.37Å | |
| C7 | C6 | doub | 1.34Å | 1.37Å | Aromatic |
| C7 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C12 | sing | 1.47Å | 1.43Å | Aromatic |
| N | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.49Å | 1.48Å | |
| N1 | C9 | sing | 1.31Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| C13 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C15 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N3 | C16 | sing | 1.47Å | 1.48Å | |
| C16 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C19 | sing | 1.47Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 1.01Å | 1.00Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C3 | C2 | H2 | 119.9° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C2 | C1 | C | 117.8° | 120.0° |
| C2 | C1 | H1 | 121.1° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | C21 | 119.0° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C1 | C | C21 | 123.3° | 120.0° |
| C1 | C | F | 118.8° | 120.1° |
| C | C1 | H1 | 121.1° | 120.0° |
| C5 | C4 | C21 | 119.9° | 120.0° |
| C4 | C5 | C6 | 114.8° | 109.5° |
| C4 | C5 | H15 | 108.1° | 109.5° |
| C4 | C5 | H16 | 108.1° | 109.5° |
| C4 | C21 | C | 118.9° | 120.0° |
| C4 | C21 | H14 | 120.5° | 120.0° |
| C5 | C6 | C7 | 129.0° | 126.6° |
| C5 | C6 | C12 | 124.9° | 126.5° |
| C6 | C5 | H15 | 108.1° | 109.5° |
| C6 | C5 | H16 | 108.1° | 109.5° |
| C21 | C | F | 118.0° | 120.0° |
| C | C21 | H14 | 120.6° | 120.0° |
| C6 | C7 | N | 110.1° | 110.0° |
| C7 | C6 | C12 | 106.1° | 106.9° |
| C6 | C7 | H4 | 125.0° | 125.0° |
| C7 | N | C8 | 108.3° | 110.0° |
| N | C7 | H4 | 125.0° | 125.0° |
| C7 | N | H17 | 125.9° | 125.0° |
| C6 | C12 | C11 | 135.0° | 134.3° |
| C6 | C12 | C8 | 107.2° | 106.2° |
| N | C8 | C12 | 108.2° | 107.0° |
| N | C8 | N1 | 125.7° | 133.0° |
| C8 | N | H17 | 125.9° | 124.9° |
| C11 | C12 | C8 | 117.7° | 119.6° |
| C12 | C11 | C10 | 118.3° | 118.0° |
| C12 | C11 | H6 | 120.9° | 121.0° |
| C12 | C8 | N1 | 126.1° | 120.0° |
| C11 | C10 | C9 | 118.5° | 119.2° |
| C11 | C10 | C13 | 120.1° | 120.4° |
| C10 | C11 | H6 | 120.8° | 121.1° |
| C8 | N1 | C9 | 114.7° | 121.8° |
| C9 | C10 | C13 | 121.4° | 120.4° |
| C10 | C9 | N1 | 124.7° | 121.4° |
| C10 | C9 | H5 | 117.6° | 119.3° |
| C10 | C13 | C14 | 128.7° | 126.2° |
| C10 | C13 | C15 | 126.6° | 126.2° |
| N1 | C9 | H5 | 117.6° | 119.3° |
| C13 | C14 | N2 | 112.0° | 108.1° |
| C14 | C13 | C15 | 104.5° | 107.6° |
| C13 | C14 | H7 | 124.0° | 125.9° |
| C14 | N2 | N3 | 104.2° | 108.6° |
| N2 | C14 | H7 | 124.0° | 126.0° |
| C13 | C15 | N3 | 106.8° | 107.6° |
| C13 | C15 | H8 | 126.6° | 126.2° |
| N2 | N3 | C15 | 112.4° | 108.2° |
| N2 | N3 | C16 | 122.0° | 126.0° |
| C15 | N3 | C16 | 125.6° | 125.9° |
| N3 | C15 | H8 | 126.6° | 126.2° |
| C16 | C17 | C18 | 110.6° | 109.2° |
| C17 | C16 | N3 | 112.9° | 109.6° |
| C17 | C16 | C20 | 111.8° | 109.2° |
| C17 | C16 | H9 | 107.0° | 109.5° |
| C16 | C17 | H22 | 109.2° | 109.5° |
| C16 | C17 | H23 | 109.2° | 109.6° |
| C17 | C18 | N4 | 111.0° | 109.6° |
| C17 | C18 | H20 | 109.1° | 109.4° |
| C17 | C18 | H21 | 109.1° | 109.4° |
| C18 | C17 | H22 | 109.2° | 109.5° |
| C18 | C17 | H23 | 109.2° | 109.5° |
| N3 | C16 | C20 | 110.2° | 109.5° |
| N3 | C16 | H9 | 107.6° | 109.5° |
| C16 | C20 | C19 | 110.6° | 109.3° |
| C20 | C16 | H9 | 107.0° | 109.5° |
| C16 | C20 | H12 | 109.2° | 109.5° |
| C16 | C20 | H13 | 109.2° | 109.5° |
| C18 | N4 | C19 | 111.7° | 111.1° |
| C18 | N4 | H18 | 108.9° | 111.0° |
| N4 | C18 | H20 | 109.1° | 109.5° |
| N4 | C18 | H21 | 109.1° | 109.5° |
| N4 | C19 | C20 | 110.6° | 109.6° |
| N4 | C19 | H10 | 109.2° | 109.5° |
| N4 | C19 | H11 | 109.2° | 109.4° |
| C19 | N4 | H18 | 108.9° | 111.0° |
| C20 | C19 | H10 | 109.2° | 109.5° |
| C20 | C19 | H11 | 109.2° | 109.5° |
| C19 | C20 | H12 | 109.2° | 109.5° |
| C19 | C20 | H13 | 109.2° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H15 | C5 | H16 | 109.4° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.1° | 0.1° |
| C2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C2 | C3 | C4 | C21 | 0.4° | 0.2° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C | H1 | 180.0° | 179.7° |
| C2 | C1 | C | C21 | 0.0° | 0.3° |
| C2 | C1 | C | F | 179.3° | 179.7° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C3 | C4 | C5 | C21 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 103.1° | 90.0° |
| C3 | C4 | C21 | C | 0.3° | 0.5° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C4 | C21 | H14 | 179.7° | 180.0° |
| C3 | C4 | C5 | H15 | 136.1° | 150.0° |
| C3 | C4 | C5 | H16 | 17.7° | 30.0° |
| C1 | C | C21 | C4 | 0.1° | 0.5° |
| C1 | C | C21 | F | 179.3° | 180.0° |
| C | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C | C21 | H14 | 179.9° | 180.0° |
| C4 | C5 | C6 | H15 | 120.8° | 120.0° |
| C4 | C5 | C6 | H16 | 120.8° | 120.0° |
| C5 | C4 | C21 | C | 179.8° | 179.8° |
| C4 | C5 | C6 | C7 | 5.8° | 95.0° |
| C4 | C5 | C6 | C12 | 174.8° | 85.0° |
| C5 | C4 | C3 | H3 | 0.3° | 0.0° |
| C5 | C4 | C21 | H14 | 0.2° | 0.3° |
| C4 | C5 | H15 | H16 | 117.6° | 120.0° |
| C21 | C4 | C5 | C6 | 76.8° | 90.3° |
| C4 | C21 | C | H14 | 180.0° | 179.5° |
| C4 | C21 | C | F | 179.2° | 179.5° |
| C21 | C4 | C3 | H3 | 179.6° | 179.7° |
| C21 | C4 | C5 | H15 | 44.0° | 29.7° |
| C21 | C4 | C5 | H16 | 162.4° | 149.8° |
| C5 | C6 | C7 | C12 | 179.4° | 180.0° |
| C5 | C6 | C7 | N | 180.0° | 180.0° |
| C5 | C6 | C12 | C11 | 0.5° | 0.0° |
| C5 | C6 | C12 | C8 | 178.9° | 180.0° |
| C5 | C6 | C7 | H4 | 0.0° | 0.3° |
| C6 | C5 | H15 | H16 | 117.6° | 120.0° |
| C21 | C | C1 | H1 | 180.0° | 180.0° |
| F | C | C1 | H1 | 0.7° | 0.1° |
| F | C | C21 | H14 | 0.8° | 0.0° |
| C6 | C7 | N | H4 | 180.0° | 179.8° |
| C6 | C7 | N | C8 | 1.4° | 0.0° |
| C7 | C6 | C12 | C11 | 178.9° | 180.0° |
| C7 | C6 | C12 | C8 | 0.5° | 0.1° |
| C7 | C6 | C5 | H15 | 126.6° | 145.0° |
| C7 | C6 | C5 | H16 | 115.0° | 25.0° |
| C6 | C7 | N | H17 | 178.6° | 180.0° |
| N | C7 | C6 | C12 | 0.5° | 0.0° |
| C7 | N | C8 | H17 | 180.0° | 179.9° |
| C7 | N | C8 | C12 | 1.7° | 0.0° |
| C7 | N | C8 | N1 | 178.7° | 179.9° |
| C6 | C12 | C8 | N | 1.4° | 0.0° |
| C6 | C12 | C11 | C8 | 178.3° | 179.9° |
| C6 | C12 | C11 | C10 | 178.6° | 180.0° |
| C6 | C12 | C8 | N1 | 179.0° | 180.0° |
| C12 | C6 | C7 | H4 | 179.5° | 179.7° |
| C6 | C12 | C11 | H6 | 1.4° | 0.1° |
| C12 | C6 | C5 | H15 | 54.0° | 35.0° |
| C12 | C6 | C5 | H16 | 64.4° | 155.0° |
| N | C8 | C12 | C11 | 179.9° | 180.0° |
| N | C8 | C12 | N1 | 179.6° | 179.9° |
| N | C8 | N1 | C9 | 179.4° | 179.9° |
| C8 | N | C7 | H4 | 178.6° | 179.8° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C11 | C12 | C8 | N1 | 0.3° | 0.1° |
| C12 | C11 | C10 | C9 | 0.0° | 0.0° |
| C12 | C11 | C10 | C13 | 176.2° | 180.0° |
| C8 | C12 | C11 | C10 | 0.4° | 0.1° |
| C12 | C8 | N1 | C9 | 0.1° | 0.0° |
| C8 | C12 | C11 | H6 | 179.7° | 180.0° |
| C12 | C8 | N | H17 | 178.3° | 179.9° |
| C11 | C10 | C9 | C13 | 176.2° | 180.0° |
| C11 | C10 | C9 | N1 | 0.4° | 0.0° |
| C11 | C10 | C13 | C14 | 13.0° | 0.3° |
| C11 | C10 | C13 | C15 | 162.3° | 180.0° |
| C11 | C10 | C9 | H5 | 179.6° | 179.9° |
| C8 | N1 | C9 | C10 | 0.5° | 0.0° |
| C8 | N1 | C9 | H5 | 179.5° | 179.9° |
| N1 | C8 | N | H17 | 1.3° | 0.0° |
| C10 | C9 | N1 | H5 | 180.0° | 179.9° |
| C9 | C10 | C13 | C14 | 170.9° | 179.7° |
| C9 | C10 | C13 | C15 | 13.8° | 0.0° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C13 | C10 | C9 | N1 | 176.6° | 179.9° |
| C10 | C13 | C14 | C15 | 176.1° | 179.7° |
| C10 | C13 | C14 | N2 | 177.6° | 180.0° |
| C10 | C13 | C15 | N3 | 177.6° | 180.0° |
| C13 | C10 | C9 | H5 | 3.4° | 0.0° |
| C13 | C10 | C11 | H6 | 3.8° | 0.1° |
| C10 | C13 | C14 | H7 | 2.4° | 0.0° |
| C10 | C13 | C15 | H8 | 2.4° | 0.0° |
| C13 | C14 | N2 | H7 | 180.0° | 180.0° |
| C13 | C14 | N2 | N3 | 1.0° | 0.1° |
| C14 | C13 | C15 | N3 | 1.4° | 0.3° |
| C14 | C13 | C15 | H8 | 178.6° | 179.7° |
| N2 | C14 | C13 | C15 | 1.5° | 0.2° |
| C14 | N2 | N3 | C15 | 0.0° | 0.1° |
| C14 | N2 | N3 | C16 | 179.9° | 179.9° |
| C13 | C15 | N3 | N2 | 0.9° | 0.2° |
| C13 | C15 | N3 | H8 | 180.0° | 180.0° |
| C13 | C15 | N3 | C16 | 179.2° | 180.0° |
| C15 | C13 | C14 | H7 | 178.5° | 179.7° |
| N2 | N3 | C15 | C16 | 179.9° | 179.8° |
| N2 | N3 | C16 | C17 | 54.0° | 145.4° |
| N2 | N3 | C16 | C20 | 71.8° | 94.8° |
| N3 | N2 | C14 | H7 | 179.0° | 179.9° |
| N2 | N3 | C15 | H8 | 179.1° | 179.8° |
| N2 | N3 | C16 | H9 | 171.8° | 25.3° |
| C15 | N3 | C16 | C17 | 126.1° | 34.8° |
| C15 | N3 | C16 | C20 | 108.1° | 85.0° |
| C15 | N3 | C16 | H9 | 8.2° | 154.9° |
| C16 | C17 | C18 | H22 | 120.2° | 119.9° |
| C16 | C17 | C18 | H23 | 120.2° | 120.0° |
| C17 | C16 | N3 | C20 | 125.8° | 119.8° |
| C17 | C16 | N3 | H9 | 117.9° | 120.1° |
| C17 | C16 | C20 | H9 | 116.9° | 119.9° |
| C16 | C17 | C18 | N4 | 55.1° | 59.2° |
| C17 | C16 | C20 | C19 | 53.5° | 57.6° |
| C17 | C16 | C20 | H12 | 173.6° | 177.6° |
| C17 | C16 | C20 | H13 | 66.7° | 62.3° |
| C16 | C17 | C18 | H20 | 175.4° | 60.9° |
| C16 | C17 | C18 | H21 | 65.1° | 179.2° |
| C16 | C17 | H22 | H23 | 119.5° | 120.2° |
| C18 | C17 | C16 | N3 | 177.9° | 177.6° |
| C18 | C17 | C16 | C20 | 53.0° | 57.6° |
| C17 | C18 | N4 | H20 | 120.3° | 120.0° |
| C17 | C18 | N4 | H21 | 120.2° | 120.0° |
| C17 | C18 | N4 | C19 | 58.9° | 61.8° |
| C18 | C17 | C16 | H9 | 63.9° | 62.3° |
| C17 | C18 | N4 | H18 | 61.4° | 62.3° |
| C17 | C18 | H20 | H21 | 119.3° | 119.9° |
| C18 | C17 | H22 | H23 | 119.5° | 120.1° |
| N3 | C16 | C20 | H9 | 116.7° | 120.1° |
| N3 | C16 | C20 | C19 | 179.9° | 177.6° |
| C16 | N3 | C15 | H8 | 0.8° | 0.0° |
| N3 | C16 | C20 | H12 | 60.0° | 62.4° |
| N3 | C16 | C20 | H13 | 59.7° | 57.7° |
| N3 | C16 | C17 | H22 | 57.8° | 57.7° |
| N3 | C16 | C17 | H23 | 61.9° | 62.4° |
| C16 | C20 | C19 | N4 | 55.8° | 59.2° |
| C16 | C20 | C19 | H12 | 120.2° | 120.0° |
| C16 | C20 | C19 | H13 | 120.1° | 119.9° |
| C16 | C20 | C19 | H10 | 176.0° | 60.9° |
| C16 | C20 | C19 | H11 | 64.4° | 179.2° |
| C16 | C20 | H12 | H13 | 119.5° | 120.1° |
| C20 | C16 | C17 | H22 | 67.1° | 62.2° |
| C20 | C16 | C17 | H23 | 173.2° | 177.6° |
| C18 | N4 | C19 | H18 | 120.3° | 124.1° |
| C18 | N4 | C19 | C20 | 59.1° | 61.8° |
| C18 | N4 | C19 | H10 | 179.3° | 58.3° |
| C18 | N4 | C19 | H11 | 61.1° | 178.2° |
| N4 | C18 | H20 | H21 | 119.3° | 120.0° |
| N4 | C18 | C17 | H22 | 65.0° | 60.7° |
| N4 | C18 | C17 | H23 | 175.3° | 179.1° |
| N4 | C19 | C20 | H10 | 120.2° | 120.1° |
| N4 | C19 | C20 | H11 | 120.2° | 120.0° |
| N4 | C19 | H10 | H11 | 119.5° | 119.9° |
| N4 | C19 | C20 | H12 | 176.0° | 179.2° |
| N4 | C19 | C20 | H13 | 64.3° | 60.7° |
| C19 | N4 | C18 | H20 | 179.1° | 58.3° |
| C19 | N4 | C18 | H21 | 61.3° | 178.3° |
| C19 | C20 | C16 | H9 | 63.4° | 62.3° |
| C20 | C19 | H10 | H11 | 119.5° | 120.0° |
| C19 | C20 | H12 | H13 | 119.5° | 120.1° |
| C20 | C19 | N4 | H18 | 61.2° | 62.3° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H4 | C7 | N | H17 | 1.4° | 0.2° |
| H9 | C16 | C20 | H12 | 56.8° | 57.7° |
| H9 | C16 | C20 | H13 | 176.4° | 177.8° |
| H9 | C16 | C17 | H22 | 176.0° | 177.8° |
| H9 | C16 | C17 | H23 | 56.3° | 57.6° |
| H10 | C19 | C20 | H12 | 63.9° | 59.1° |
| H10 | C19 | C20 | H13 | 55.8° | 179.2° |
| H10 | C19 | N4 | H18 | 59.0° | 177.6° |
| H11 | C19 | C20 | H12 | 55.8° | 60.8° |
| H11 | C19 | C20 | H13 | 175.5° | 59.3° |
| H11 | C19 | N4 | H18 | 178.6° | 57.7° |
| H18 | N4 | C18 | H20 | 58.8° | 177.6° |
| H18 | N4 | C18 | H21 | 178.3° | 57.6° |
| H20 | C18 | C17 | H22 | 55.2° | 179.2° |
| H20 | C18 | C17 | H23 | 64.4° | 59.1° |
| H21 | C18 | C17 | H22 | 174.7° | 59.3° |
| H21 | C18 | C17 | H23 | 55.1° | 60.9° |
