SW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.35Å | 1.36Å | |
| C21 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.34Å | 1.37Å | Aromatic |
| C6 | N | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C11 | sing | 1.46Å | 1.43Å | Aromatic |
| N | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N1 | C8 | sing | 1.31Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.49Å | 1.49Å | |
| C12 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | C15 | sing | 1.46Å | 1.50Å | |
| C18 | N4 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N4 | C17 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 1.01Å | 1.00Å | |
| 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) |
| F | C | C21 | 118.9° | 120.0° |
| F | C | C1 | 118.4° | 120.0° |
| C | C21 | C20 | 118.2° | 120.0° |
| C21 | C | C1 | 122.8° | 120.0° |
| C | C21 | H13 | 120.9° | 120.0° |
| C21 | C20 | C3 | 121.1° | 120.0° |
| C21 | C20 | H12 | 119.4° | 120.0° |
| C20 | C21 | H13 | 120.9° | 120.0° |
| C | C1 | C2 | 118.2° | 120.0° |
| C | C1 | H1 | 120.9° | 120.0° |
| C20 | C3 | C2 | 118.4° | 120.1° |
| C20 | C3 | C4 | 121.2° | 120.0° |
| C3 | C20 | H12 | 119.5° | 120.0° |
| C1 | C2 | C3 | 121.3° | 120.0° |
| C2 | C1 | H1 | 120.9° | 120.0° |
| C1 | C2 | H2 | 119.3° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C3 | C2 | H2 | 119.3° | 120.0° |
| C3 | C4 | C5 | 116.6° | 109.4° |
| C3 | C4 | H14 | 107.7° | 109.5° |
| C3 | C4 | H15 | 107.7° | 109.5° |
| C4 | C5 | C6 | 128.2° | 126.5° |
| C4 | C5 | C11 | 125.7° | 126.6° |
| C5 | C4 | H14 | 107.6° | 109.5° |
| C5 | C4 | H15 | 107.7° | 109.5° |
| C5 | C6 | N | 110.2° | 109.9° |
| C6 | C5 | C11 | 106.1° | 106.9° |
| C5 | C6 | H17 | 124.9° | 125.0° |
| C6 | N | C7 | 108.3° | 110.1° |
| C6 | N | H16 | 125.9° | 125.0° |
| N | C6 | H17 | 124.9° | 125.0° |
| C5 | C11 | C10 | 135.2° | 134.2° |
| C5 | C11 | C7 | 107.1° | 106.2° |
| N | C7 | C11 | 108.4° | 106.9° |
| N | C7 | N1 | 125.6° | 133.1° |
| C7 | N | H16 | 125.9° | 124.9° |
| C10 | C11 | C7 | 117.7° | 119.6° |
| C11 | C10 | C9 | 118.5° | 118.0° |
| C11 | C10 | H4 | 120.8° | 121.0° |
| C11 | C7 | N1 | 126.1° | 120.0° |
| C10 | C9 | C8 | 118.2° | 119.2° |
| C10 | C9 | C12 | 120.2° | 120.4° |
| C9 | C10 | H4 | 120.7° | 121.0° |
| C7 | N1 | C8 | 114.6° | 121.9° |
| C12 | C13 | N2 | 112.4° | 108.1° |
| C13 | C12 | C9 | 129.7° | 126.2° |
| C13 | C12 | C14 | 103.9° | 107.6° |
| C12 | C13 | H5 | 123.8° | 126.0° |
| C13 | N2 | N3 | 104.1° | 108.5° |
| N2 | C13 | H5 | 123.8° | 125.9° |
| N1 | C8 | C9 | 125.0° | 121.4° |
| N1 | C8 | H3 | 117.5° | 119.3° |
| C8 | C9 | C12 | 121.6° | 120.4° |
| C9 | C8 | H3 | 117.5° | 119.3° |
| C9 | C12 | C14 | 126.4° | 126.2° |
| C12 | C14 | N3 | 107.1° | 107.6° |
| C12 | C14 | H6 | 126.4° | 126.2° |
| N2 | N3 | C14 | 112.4° | 108.2° |
| N2 | N3 | C15 | 122.8° | 125.9° |
| C18 | C19 | C15 | 110.4° | 109.3° |
| C19 | C18 | N4 | 110.8° | 109.5° |
| C18 | C19 | H10 | 109.2° | 109.5° |
| C18 | C19 | H11 | 109.2° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.5° |
| C19 | C18 | H19 | 109.1° | 109.5° |
| C19 | C15 | N3 | 115.2° | 109.6° |
| C19 | C15 | C16 | 110.9° | 109.1° |
| C19 | C15 | H7 | 105.6° | 109.5° |
| C15 | C19 | H10 | 109.2° | 109.5° |
| C15 | C19 | H11 | 109.2° | 109.5° |
| C14 | N3 | C15 | 124.8° | 125.9° |
| N3 | C14 | H6 | 126.4° | 126.2° |
| N3 | C15 | C16 | 112.9° | 109.5° |
| N3 | C15 | H7 | 105.8° | 109.5° |
| C18 | N4 | C17 | 111.5° | 111.2° |
| N4 | C18 | H18 | 109.1° | 109.5° |
| N4 | C18 | H19 | 109.1° | 109.5° |
| C18 | N4 | H20 | 108.9° | 111.0° |
| C15 | C16 | C17 | 110.4° | 109.3° |
| C16 | C15 | H7 | 105.5° | 109.5° |
| C15 | C16 | H8 | 109.2° | 109.5° |
| C15 | C16 | H9 | 109.3° | 109.5° |
| N4 | C17 | C16 | 110.6° | 109.5° |
| C17 | N4 | H20 | 108.9° | 111.0° |
| N4 | C17 | H22 | 109.2° | 109.5° |
| N4 | C17 | H23 | 109.2° | 109.5° |
| C17 | C16 | H8 | 109.3° | 109.5° |
| C17 | C16 | H9 | 109.2° | 109.5° |
| C16 | C17 | H22 | 109.2° | 109.5° |
| C16 | C17 | H23 | 109.2° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C21 | C1 | 179.9° | 179.5° |
| F | C | C21 | C20 | 180.0° | 179.9° |
| F | C | C1 | C2 | 180.0° | 179.9° |
| F | C | C1 | H1 | 0.0° | 0.2° |
| F | C | C21 | H13 | 0.0° | 0.5° |
| C | C21 | C20 | H13 | 180.0° | 179.4° |
| C | C21 | C20 | C3 | 0.0° | 0.3° |
| C21 | C | C1 | C2 | 0.1° | 0.6° |
| C21 | C | C1 | H1 | 180.0° | 179.7° |
| C | C21 | C20 | H12 | 179.9° | 179.8° |
| C20 | C21 | C | C1 | 0.0° | 0.6° |
| C21 | C20 | C3 | H12 | 180.0° | 179.9° |
| C21 | C20 | C3 | C2 | 0.1° | 0.1° |
| C21 | C20 | C3 | C4 | 179.9° | 179.9° |
| C | C1 | C2 | H1 | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 0.0° | 0.3° |
| C | C1 | C2 | H2 | 180.0° | 179.8° |
| C1 | C | C21 | H13 | 180.0° | 180.0° |
| C20 | C3 | C2 | C1 | 0.1° | 0.1° |
| C20 | C3 | C2 | C4 | 179.8° | 180.0° |
| C20 | C3 | C4 | C5 | 66.0° | 90.0° |
| C20 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C20 | C21 | H13 | 179.9° | 179.7° |
| C20 | C3 | C4 | H14 | 173.0° | 30.0° |
| C20 | C3 | C4 | H15 | 55.1° | 150.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 179.8° | 179.9° |
| C2 | C3 | C4 | C5 | 114.3° | 90.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C20 | H12 | 179.9° | 179.9° |
| C2 | C3 | C4 | H14 | 6.7° | 150.0° |
| C2 | C3 | C4 | H15 | 124.7° | 30.0° |
| C3 | C4 | C5 | H14 | 121.0° | 119.9° |
| C3 | C4 | C5 | H15 | 121.0° | 120.0° |
| C3 | C4 | C5 | C6 | 25.0° | 95.0° |
| C3 | C4 | C5 | C11 | 155.1° | 85.0° |
| C4 | C3 | C2 | H2 | 0.2° | 0.0° |
| C4 | C3 | C20 | H12 | 0.1° | 0.0° |
| C3 | C4 | H14 | H15 | 116.8° | 120.0° |
| C4 | C5 | C6 | C11 | 179.9° | 180.0° |
| C4 | C5 | C6 | N | 180.0° | 179.7° |
| C4 | C5 | C11 | C10 | 0.2° | 0.0° |
| C4 | C5 | C11 | C7 | 180.0° | 180.0° |
| C5 | C4 | H14 | H15 | 116.7° | 120.1° |
| C4 | C5 | C6 | H17 | 0.1° | 0.0° |
| C5 | C6 | N | H17 | 180.0° | 179.7° |
| C5 | C6 | N | C7 | 0.1° | 0.5° |
| C6 | C5 | C11 | C10 | 179.9° | 179.9° |
| C6 | C5 | C11 | C7 | 0.1° | 0.0° |
| C6 | C5 | C4 | H14 | 96.0° | 145.0° |
| C6 | C5 | C4 | H15 | 146.1° | 25.0° |
| C5 | C6 | N | H16 | 179.9° | 179.7° |
| N | C6 | C5 | C11 | 0.1° | 0.3° |
| C6 | N | C7 | H16 | 180.0° | 179.8° |
| C6 | N | C7 | C11 | 0.0° | 0.4° |
| C6 | N | C7 | N1 | 179.8° | 179.9° |
| C5 | C11 | C7 | N | 0.1° | 0.3° |
| C5 | C11 | C10 | C7 | 179.8° | 179.9° |
| C5 | C11 | C10 | C9 | 179.7° | 180.0° |
| C5 | C11 | C7 | N1 | 179.8° | 180.0° |
| C5 | C11 | C10 | H4 | 0.3° | 0.0° |
| C11 | C5 | C4 | H14 | 83.8° | 34.9° |
| C11 | C5 | C4 | H15 | 34.1° | 155.0° |
| C11 | C5 | C6 | H17 | 179.9° | 180.0° |
| N | C7 | C11 | C10 | 179.9° | 179.8° |
| N | C7 | C11 | N1 | 179.8° | 179.7° |
| N | C7 | N1 | C8 | 179.9° | 179.7° |
| C7 | N | C6 | H17 | 180.0° | 179.8° |
| C11 | C10 | C9 | H4 | 180.0° | 179.9° |
| C10 | C11 | C7 | N1 | 0.1° | 0.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C11 | C10 | C9 | C12 | 179.4° | 180.0° |
| C7 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C7 | N1 | C8 | 0.1° | 0.0° |
| C7 | C11 | C10 | H4 | 179.9° | 180.0° |
| C11 | C7 | N | H16 | 180.0° | 179.7° |
| C10 | C9 | C12 | C13 | 14.6° | 0.3° |
| C10 | C9 | C8 | N1 | 0.1° | 0.0° |
| C10 | C9 | C8 | C12 | 179.2° | 180.0° |
| C10 | C9 | C12 | C14 | 164.6° | 180.0° |
| C10 | C9 | C8 | H3 | 179.9° | 180.0° |
| C7 | N1 | C8 | C9 | 0.0° | 0.0° |
| C7 | N1 | C8 | H3 | 180.0° | 180.0° |
| N1 | C7 | N | H16 | 0.2° | 0.0° |
| C12 | C13 | N2 | H5 | 180.0° | 179.9° |
| C13 | C12 | C9 | C8 | 166.2° | 179.7° |
| C13 | C12 | C9 | C14 | 179.2° | 179.7° |
| C12 | C13 | N2 | N3 | 0.2° | 0.2° |
| C13 | C12 | C14 | N3 | 0.3° | 0.3° |
| C13 | C12 | C14 | H6 | 179.7° | 179.7° |
| N2 | C13 | C12 | C9 | 179.6° | 180.0° |
| N2 | C13 | C12 | C14 | 0.3° | 0.3° |
| C13 | N2 | N3 | C14 | 0.1° | 0.0° |
| C13 | N2 | N3 | C15 | 179.9° | 179.8° |
| N1 | C8 | C9 | H3 | 180.0° | 180.0° |
| N1 | C8 | C9 | C12 | 179.3° | 180.0° |
| C8 | C9 | C12 | C14 | 14.7° | 0.0° |
| C8 | C9 | C10 | H4 | 179.9° | 180.0° |
| C9 | C12 | C14 | N3 | 179.6° | 180.0° |
| C12 | C9 | C8 | H3 | 0.7° | 0.0° |
| C12 | C9 | C10 | H4 | 0.7° | 0.0° |
| C9 | C12 | C13 | H5 | 0.4° | 0.1° |
| C9 | C12 | C14 | H6 | 0.4° | 0.0° |
| C12 | C14 | N3 | N2 | 0.1° | 0.1° |
| C12 | C14 | N3 | H6 | 180.0° | 179.9° |
| C12 | C14 | N3 | C15 | 179.9° | 180.0° |
| C14 | C12 | C13 | H5 | 179.7° | 179.8° |
| N2 | N3 | C15 | C19 | 60.4° | 145.5° |
| N2 | N3 | C14 | C15 | 179.9° | 179.9° |
| N2 | N3 | C15 | C16 | 68.4° | 94.8° |
| N3 | N2 | C13 | H5 | 179.8° | 179.9° |
| N2 | N3 | C14 | H6 | 179.9° | 179.8° |
| N2 | N3 | C15 | H7 | 176.6° | 25.3° |
| C18 | C19 | C15 | H10 | 120.2° | 120.0° |
| C18 | C19 | C15 | H11 | 120.1° | 120.0° |
| C18 | C19 | C15 | N3 | 175.8° | 177.6° |
| C19 | C18 | N4 | H18 | 120.2° | 120.0° |
| C19 | C18 | N4 | H19 | 120.2° | 120.0° |
| C18 | C19 | C15 | C16 | 54.4° | 57.7° |
| C19 | C18 | N4 | C17 | 58.8° | 61.7° |
| C18 | C19 | C15 | H7 | 59.4° | 62.2° |
| C18 | C19 | H10 | H11 | 119.6° | 120.1° |
| C19 | C18 | H18 | H19 | 119.4° | 120.0° |
| C19 | C18 | N4 | H20 | 61.5° | 62.4° |
| C19 | C15 | N3 | C14 | 119.7° | 34.7° |
| C19 | C15 | N3 | C16 | 128.8° | 119.7° |
| C19 | C15 | N3 | H7 | 116.2° | 120.2° |
| C15 | C19 | C18 | N4 | 56.2° | 59.2° |
| C19 | C15 | C16 | H7 | 113.9° | 119.9° |
| C19 | C15 | C16 | C17 | 54.6° | 57.6° |
| C19 | C15 | C16 | H8 | 174.8° | 177.6° |
| C19 | C15 | C16 | H9 | 65.5° | 62.3° |
| C15 | C19 | H10 | H11 | 119.6° | 120.1° |
| C15 | C19 | C18 | H18 | 176.3° | 179.2° |
| C15 | C19 | C18 | H19 | 64.1° | 60.9° |
| C14 | N3 | C15 | C16 | 111.5° | 85.0° |
| C14 | N3 | C15 | H7 | 3.5° | 154.9° |
| N3 | C15 | C16 | H7 | 115.1° | 120.2° |
| N3 | C15 | C16 | C17 | 174.4° | 177.6° |
| C15 | N3 | C14 | H6 | 0.1° | 0.0° |
| N3 | C15 | C16 | H8 | 54.2° | 62.5° |
| N3 | C15 | C16 | H9 | 65.5° | 57.7° |
| N3 | C15 | C19 | H10 | 55.6° | 57.6° |
| N3 | C15 | C19 | H11 | 64.1° | 62.4° |
| C18 | N4 | C17 | H20 | 120.3° | 124.1° |
| C18 | N4 | C17 | C16 | 59.0° | 61.8° |
| N4 | C18 | C19 | H10 | 176.3° | 60.8° |
| N4 | C18 | C19 | H11 | 64.0° | 179.2° |
| N4 | C18 | H18 | H19 | 119.4° | 120.0° |
| C18 | N4 | C17 | H22 | 179.2° | 58.3° |
| C18 | N4 | C17 | H23 | 61.2° | 178.2° |
| C15 | C16 | C17 | N4 | 56.4° | 59.2° |
| C15 | C16 | C17 | H8 | 120.1° | 119.9° |
| C15 | C16 | C17 | H9 | 120.2° | 120.0° |
| C15 | C16 | H8 | H9 | 119.6° | 120.1° |
| C16 | C15 | C19 | H10 | 174.6° | 62.3° |
| C16 | C15 | C19 | H11 | 65.7° | 177.6° |
| C15 | C16 | C17 | H22 | 176.6° | 60.8° |
| C15 | C16 | C17 | H23 | 63.7° | 179.2° |
| N4 | C17 | C16 | H22 | 120.2° | 120.0° |
| N4 | C17 | C16 | H23 | 120.2° | 120.1° |
| N4 | C17 | C16 | H8 | 176.6° | 179.1° |
| N4 | C17 | C16 | H9 | 63.7° | 60.8° |
| C17 | N4 | C18 | H18 | 179.0° | 178.2° |
| C17 | N4 | C18 | H19 | 61.4° | 58.3° |
| N4 | C17 | H22 | H23 | 119.4° | 120.0° |
| C17 | C16 | C15 | H7 | 59.2° | 62.2° |
| C17 | C16 | H8 | H9 | 119.6° | 120.1° |
| C16 | C17 | N4 | H20 | 61.3° | 62.4° |
| C16 | C17 | H22 | H23 | 119.5° | 120.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H7 | C15 | C16 | H8 | 60.9° | 57.7° |
| H7 | C15 | C16 | H9 | 179.4° | 177.8° |
| H7 | C15 | C19 | H10 | 60.7° | 177.8° |
| H7 | C15 | C19 | H11 | 179.6° | 57.7° |
| H8 | C16 | C17 | H22 | 63.3° | 59.1° |
| H8 | C16 | C17 | H23 | 56.4° | 60.8° |
| H9 | C16 | C17 | H22 | 56.4° | 179.2° |
| H9 | C16 | C17 | H23 | 176.1° | 59.3° |
| H10 | C19 | C18 | H18 | 63.5° | 59.2° |
| H10 | C19 | C18 | H19 | 56.1° | 179.2° |
| H11 | C19 | C18 | H18 | 56.2° | 60.8° |
| H11 | C19 | C18 | H19 | 175.8° | 59.1° |
| H12 | C20 | C21 | H13 | 0.1° | 0.4° |
| H16 | N | C6 | H17 | 0.0° | 0.0° |
| H18 | C18 | N4 | H20 | 58.7° | 57.6° |
| H19 | C18 | N4 | H20 | 178.3° | 177.6° |
| H20 | N4 | C17 | H22 | 58.9° | 177.6° |
| H20 | N4 | C17 | H23 | 178.5° | 57.7° |
