F3W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C15 | trip | 1.14Å | 1.14Å | |
| C15 | C14 | sing | 1.43Å | 1.42Å | |
| C14 | C13 | doub | 1.35Å | 1.33Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C7 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C17 | N2 | sing | 1.46Å | 1.48Å | |
| C17 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| N2 | C1 | sing | 1.37Å | 1.41Å | Aromatic |
| N3 | C | sing | 1.35Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C1 | C | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.46Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.45Å | Aromatic |
| C4 | N | doub | 1.31Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.34Å | 1.35Å | Aromatic |
| C3 | N | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | N1 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C15 | C14 | 178.4° | 180.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | H9 | 120.1° | 120.0° |
| C14 | C13 | C10 | 123.0° | 120.0° |
| C14 | C13 | H8 | 118.5° | 120.0° |
| C13 | C14 | H9 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.1° |
| C11 | C12 | C16 | 120.4° | 120.3° |
| C12 | C11 | H6 | 119.8° | 119.9° |
| C11 | C12 | H7 | 119.8° | 119.8° |
| C11 | C10 | C13 | 120.1° | 120.1° |
| C11 | C10 | C9 | 118.6° | 119.8° |
| C10 | C11 | H6 | 119.8° | 120.0° |
| C12 | C16 | C8 | 120.5° | 120.2° |
| C16 | C12 | H7 | 119.8° | 119.9° |
| C12 | C16 | H10 | 119.7° | 119.9° |
| C13 | C10 | C9 | 121.3° | 120.1° |
| C10 | C13 | H8 | 118.5° | 120.0° |
| C10 | C9 | C8 | 121.1° | 119.7° |
| C10 | C9 | H5 | 119.4° | 120.1° |
| C16 | C8 | C9 | 118.9° | 119.9° |
| C16 | C8 | C7 | 116.5° | 120.0° |
| C8 | C16 | H10 | 119.8° | 119.9° |
| C9 | C8 | C7 | 124.4° | 120.1° |
| C8 | C9 | H5 | 119.5° | 120.2° |
| C8 | C7 | N2 | 126.2° | 125.2° |
| C8 | C7 | N3 | 121.0° | 125.1° |
| C18 | C19 | C20 | 111.0° | 109.5° |
| C19 | C18 | C17 | 110.1° | 109.5° |
| C18 | C19 | H18 | 109.1° | 109.4° |
| C18 | C19 | H19 | 109.1° | 109.5° |
| C19 | C18 | H20 | 109.3° | 109.5° |
| C19 | C18 | H21 | 109.3° | 109.5° |
| C19 | C20 | C21 | 111.2° | 109.5° |
| C19 | C20 | H16 | 109.0° | 109.5° |
| C19 | C20 | H17 | 109.1° | 109.5° |
| C20 | C19 | H18 | 109.1° | 109.4° |
| C20 | C19 | H19 | 109.1° | 109.5° |
| C18 | C17 | N2 | 111.7° | 109.5° |
| C18 | C17 | C22 | 114.2° | 109.5° |
| C18 | C17 | H11 | 105.9° | 109.5° |
| C17 | C18 | H20 | 109.3° | 109.4° |
| C17 | C18 | H21 | 109.3° | 109.4° |
| N2 | C7 | N3 | 112.8° | 109.7° |
| C7 | N2 | C17 | 127.8° | 126.4° |
| C7 | N2 | C1 | 106.6° | 107.3° |
| C7 | N3 | C | 105.2° | 109.5° |
| N2 | C17 | C22 | 112.0° | 109.5° |
| C17 | N2 | C1 | 125.5° | 126.3° |
| N2 | C17 | H11 | 106.4° | 109.5° |
| C17 | C22 | C21 | 112.5° | 109.5° |
| C22 | C17 | H11 | 105.9° | 109.4° |
| C17 | C22 | H12 | 108.7° | 109.5° |
| C17 | C22 | H13 | 108.7° | 109.5° |
| C20 | C21 | C22 | 111.3° | 109.5° |
| C20 | C21 | H14 | 109.0° | 109.5° |
| C20 | C21 | H15 | 109.0° | 109.4° |
| C21 | C20 | H16 | 109.1° | 109.5° |
| C21 | C20 | H17 | 109.0° | 109.5° |
| N2 | C1 | C | 103.7° | 106.4° |
| N2 | C1 | C2 | 138.9° | 135.4° |
| N3 | C | C1 | 111.6° | 107.1° |
| N3 | C | C4 | 125.7° | 134.0° |
| C21 | C22 | H12 | 108.7° | 109.5° |
| C21 | C22 | H13 | 108.7° | 109.5° |
| C22 | C21 | H14 | 109.0° | 109.5° |
| C22 | C21 | H15 | 109.0° | 109.5° |
| C | C1 | C2 | 117.4° | 118.2° |
| C1 | C | C4 | 122.6° | 118.8° |
| C1 | C2 | C5 | 138.4° | 134.6° |
| C1 | C2 | C3 | 114.3° | 119.1° |
| C | C4 | N | 123.1° | 121.1° |
| C | C4 | H1 | 118.5° | 119.5° |
| C5 | C2 | C3 | 107.0° | 106.3° |
| C2 | C5 | C6 | 106.6° | 106.9° |
| C2 | C5 | H2 | 126.7° | 126.5° |
| C2 | C3 | N | 127.7° | 120.3° |
| C2 | C3 | N1 | 105.6° | 107.0° |
| C4 | N | C3 | 114.8° | 122.4° |
| N | C4 | H1 | 118.4° | 119.4° |
| C5 | C6 | N1 | 110.1° | 109.8° |
| C6 | C5 | H2 | 126.7° | 126.6° |
| C5 | C6 | H3 | 125.0° | 125.1° |
| N | C3 | N1 | 126.5° | 132.8° |
| C3 | N1 | C6 | 110.6° | 110.0° |
| C3 | N1 | H4 | 124.7° | 125.1° |
| N1 | C6 | H3 | 124.9° | 125.1° |
| C6 | N1 | H4 | 124.7° | 124.9° |
| H12 | C22 | H13 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C15 | C14 | C13 | 150.9° | 120.7° |
| N4 | C15 | C14 | H9 | 29.1° | 59.4° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C10 | 177.8° | 179.9° |
| C15 | C14 | C13 | H8 | 2.2° | 0.0° |
| C14 | C13 | C10 | C11 | 2.6° | 0.0° |
| C14 | C13 | C10 | H8 | 180.0° | 180.0° |
| C14 | C13 | C10 | C9 | 175.2° | 180.0° |
| C12 | C11 | C10 | H6 | 180.0° | 179.8° |
| C11 | C12 | C16 | H7 | 180.0° | 179.8° |
| C12 | C11 | C10 | C13 | 179.3° | 180.0° |
| C12 | C11 | C10 | C9 | 1.5° | 0.0° |
| C11 | C12 | C16 | C8 | 1.3° | 0.5° |
| C11 | C12 | C16 | H10 | 178.7° | 180.0° |
| C10 | C11 | C12 | C16 | 0.1° | 0.2° |
| C11 | C10 | C13 | C9 | 177.8° | 180.0° |
| C11 | C10 | C9 | C8 | 1.8° | 0.0° |
| C11 | C10 | C9 | H5 | 178.2° | 180.0° |
| C10 | C11 | C12 | H7 | 179.9° | 180.0° |
| C11 | C10 | C13 | H8 | 177.4° | 180.0° |
| C12 | C16 | C8 | H10 | 180.0° | 179.5° |
| C12 | C16 | C8 | C9 | 0.9° | 0.5° |
| C12 | C16 | C8 | C7 | 174.1° | 179.8° |
| C16 | C12 | C11 | H6 | 179.9° | 180.0° |
| C13 | C10 | C9 | C8 | 179.7° | 180.0° |
| C13 | C10 | C9 | H5 | 0.3° | 0.0° |
| C13 | C10 | C11 | H6 | 0.7° | 0.3° |
| C10 | C13 | C14 | H9 | 2.2° | 0.0° |
| C10 | C9 | C8 | C16 | 0.7° | 0.3° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 175.2° | 180.0° |
| C9 | C10 | C11 | H6 | 178.5° | 179.8° |
| C9 | C10 | C13 | H8 | 4.8° | 0.0° |
| C16 | C8 | C9 | C7 | 174.5° | 179.7° |
| C16 | C8 | C7 | N2 | 137.1° | 20.6° |
| C16 | C8 | C7 | N3 | 43.9° | 159.5° |
| C16 | C8 | C9 | H5 | 179.3° | 179.7° |
| C8 | C16 | C12 | H7 | 178.7° | 179.7° |
| C9 | C8 | C7 | N2 | 48.2° | 159.7° |
| C9 | C8 | C7 | N3 | 130.7° | 20.2° |
| C9 | C8 | C16 | H10 | 179.1° | 180.0° |
| C8 | C7 | N2 | N3 | 179.0° | 179.9° |
| C8 | C7 | N2 | C17 | 1.9° | 0.0° |
| C8 | C7 | N2 | C1 | 179.3° | 180.0° |
| C8 | C7 | N3 | C | 179.0° | 180.0° |
| C7 | C8 | C9 | H5 | 4.8° | 0.0° |
| C7 | C8 | C16 | H10 | 6.0° | 0.3° |
| C18 | C19 | C20 | H18 | 120.2° | 120.0° |
| C18 | C19 | C20 | H19 | 120.2° | 120.1° |
| C19 | C18 | C17 | H20 | 120.1° | 120.0° |
| C19 | C18 | C17 | H21 | 120.1° | 120.0° |
| C19 | C18 | C17 | N2 | 179.5° | 180.0° |
| C19 | C18 | C17 | C22 | 51.0° | 60.0° |
| C18 | C19 | C20 | C21 | 60.3° | 60.0° |
| C19 | C18 | C17 | H11 | 65.1° | 60.0° |
| C18 | C19 | C20 | H16 | 59.9° | 180.0° |
| C18 | C19 | C20 | H17 | 179.4° | 60.0° |
| C18 | C19 | H18 | H19 | 119.3° | 120.0° |
| C19 | C18 | H20 | H21 | 119.7° | 120.0° |
| C20 | C19 | C18 | C17 | 56.4° | 60.0° |
| C19 | C20 | C21 | H16 | 120.2° | 120.0° |
| C19 | C20 | C21 | H17 | 120.3° | 120.0° |
| C19 | C20 | C21 | C22 | 56.4° | 60.0° |
| C19 | C20 | C21 | H14 | 176.7° | 60.0° |
| C19 | C20 | C21 | H15 | 63.8° | 180.0° |
| C19 | C20 | H16 | H17 | 119.2° | 120.0° |
| C20 | C19 | H18 | H19 | 119.3° | 120.0° |
| C20 | C19 | C18 | H20 | 176.5° | 60.0° |
| C20 | C19 | C18 | H21 | 63.7° | 180.0° |
| C18 | C17 | N2 | C7 | 118.4° | 60.4° |
| C18 | C17 | N2 | C22 | 129.6° | 120.0° |
| C18 | C17 | N2 | H11 | 115.1° | 120.0° |
| C18 | C17 | C22 | H11 | 116.2° | 120.0° |
| C18 | C17 | N2 | C1 | 64.6° | 119.6° |
| C18 | C17 | C22 | C21 | 48.4° | 60.0° |
| C18 | C17 | C22 | H12 | 168.8° | 180.0° |
| C18 | C17 | C22 | H13 | 72.1° | 60.0° |
| C17 | C18 | C19 | H18 | 176.7° | 60.0° |
| C17 | C18 | C19 | H19 | 63.8° | 180.0° |
| C17 | C18 | H20 | H21 | 119.7° | 120.0° |
| C7 | N2 | C17 | C1 | 177.0° | 180.0° |
| C7 | N2 | C17 | C22 | 112.0° | 179.5° |
| N2 | C7 | N3 | C | 0.0° | 0.0° |
| C7 | N2 | C1 | C | 0.5° | 0.1° |
| C7 | N2 | C1 | C2 | 178.9° | 180.0° |
| C7 | N2 | C17 | H11 | 3.3° | 59.6° |
| N3 | C7 | N2 | C17 | 177.2° | 179.9° |
| N3 | C7 | N2 | C1 | 0.3° | 0.1° |
| C7 | N3 | C | C1 | 0.4° | 0.0° |
| C7 | N3 | C | C4 | 179.3° | 179.9° |
| N2 | C17 | C22 | H11 | 115.5° | 120.0° |
| N2 | C17 | C22 | C21 | 176.7° | 180.0° |
| C17 | N2 | C1 | C | 177.0° | 179.9° |
| C17 | N2 | C1 | C2 | 3.6° | 0.0° |
| N2 | C17 | C22 | H12 | 62.9° | 60.0° |
| N2 | C17 | C22 | H13 | 56.2° | 60.0° |
| N2 | C17 | C18 | H20 | 60.4° | 60.0° |
| N2 | C17 | C18 | H21 | 59.4° | 60.0° |
| C17 | C22 | C21 | C20 | 50.0° | 60.0° |
| C22 | C17 | N2 | C1 | 65.0° | 0.5° |
| C17 | C22 | C21 | H12 | 120.4° | 120.0° |
| C17 | C22 | C21 | H13 | 120.4° | 120.0° |
| C17 | C22 | H12 | H13 | 118.6° | 120.0° |
| C17 | C22 | C21 | H14 | 170.3° | 60.0° |
| C17 | C22 | C21 | H15 | 70.2° | 180.0° |
| C22 | C17 | C18 | H20 | 171.1° | 60.0° |
| C22 | C17 | C18 | H21 | 69.0° | 180.0° |
| C20 | C21 | C22 | H14 | 120.3° | 120.0° |
| C20 | C21 | C22 | H15 | 120.3° | 120.0° |
| C20 | C21 | C22 | H12 | 170.5° | 180.0° |
| C20 | C21 | C22 | H13 | 70.4° | 60.0° |
| C20 | C21 | H14 | H15 | 119.2° | 120.0° |
| C21 | C20 | H16 | H17 | 119.2° | 120.0° |
| C21 | C20 | C19 | H18 | 179.4° | 60.0° |
| C21 | C20 | C19 | H19 | 59.9° | 180.0° |
| N2 | C1 | C | N3 | 0.5° | 0.0° |
| N2 | C1 | C | C2 | 179.6° | 179.9° |
| N2 | C1 | C | C4 | 179.5° | 180.0° |
| N2 | C1 | C2 | C5 | 6.8° | 0.0° |
| N2 | C1 | C2 | C3 | 179.4° | 179.8° |
| C1 | N2 | C17 | H11 | 179.8° | 120.4° |
| N3 | C | C1 | C4 | 179.0° | 179.9° |
| N3 | C | C1 | C2 | 179.0° | 180.0° |
| N3 | C | C4 | N | 178.5° | 180.0° |
| N3 | C | C4 | H1 | 1.5° | 0.2° |
| C21 | C22 | C17 | H11 | 67.8° | 60.0° |
| C21 | C22 | H12 | H13 | 118.7° | 120.0° |
| C22 | C21 | H14 | H15 | 119.1° | 120.0° |
| C22 | C21 | C20 | H16 | 63.8° | 180.0° |
| C22 | C21 | C20 | H17 | 176.7° | 60.0° |
| C | C1 | C2 | C5 | 173.8° | 179.9° |
| C | C1 | C2 | C3 | 0.1° | 0.1° |
| C1 | C | C4 | N | 0.3° | 0.0° |
| C1 | C | C4 | H1 | 179.6° | 179.7° |
| C2 | C1 | C | C4 | 0.1° | 0.1° |
| C1 | C2 | C5 | C3 | 174.0° | 179.8° |
| C1 | C2 | C5 | C6 | 172.9° | 180.0° |
| C1 | C2 | C3 | N | 0.7° | 0.4° |
| C1 | C2 | C3 | N1 | 175.1° | 180.0° |
| C1 | C2 | C5 | H2 | 7.1° | 0.2° |
| C | C4 | N | H1 | 180.0° | 179.8° |
| C | C4 | N | C3 | 0.8° | 0.2° |
| C2 | C5 | C6 | H2 | 180.0° | 179.8° |
| C5 | C2 | C3 | N | 176.3° | 179.7° |
| C5 | C2 | C3 | N1 | 0.6° | 0.1° |
| C2 | C5 | C6 | N1 | 1.3° | 0.2° |
| C2 | C5 | C6 | H3 | 178.7° | 179.9° |
| C2 | C3 | N | C4 | 1.0° | 0.5° |
| C3 | C2 | C5 | C6 | 1.1° | 0.2° |
| C2 | C3 | N | N1 | 175.0° | 179.5° |
| C2 | C3 | N1 | C6 | 0.2° | 0.0° |
| C3 | C2 | C5 | H2 | 178.9° | 180.0° |
| C2 | C3 | N1 | H4 | 179.8° | 179.8° |
| C4 | N | C3 | N1 | 173.9° | 180.0° |
| C5 | C6 | N1 | C3 | 1.0° | 0.1° |
| C5 | C6 | N1 | H3 | 180.0° | 179.9° |
| C5 | C6 | N1 | H4 | 179.0° | 180.0° |
| N | C3 | N1 | C6 | 175.6° | 179.6° |
| C3 | N | C4 | H1 | 179.1° | 180.0° |
| N | C3 | N1 | H4 | 4.3° | 0.3° |
| C3 | N1 | C6 | H4 | 180.0° | 179.8° |
| C3 | N1 | C6 | H3 | 179.0° | 180.0° |
| N1 | C6 | C5 | H2 | 178.7° | 180.0° |
| H2 | C5 | C6 | H3 | 1.3° | 0.1° |
| H3 | C6 | N1 | H4 | 1.0° | 0.1° |
| H6 | C11 | C12 | H7 | 0.1° | 0.2° |
| H7 | C12 | C16 | H10 | 1.3° | 0.2° |
| H8 | C13 | C14 | H9 | 177.8° | 180.0° |
| H11 | C17 | C22 | H12 | 52.7° | 60.0° |
| H11 | C17 | C22 | H13 | 171.8° | 180.0° |
| H11 | C17 | C18 | H20 | 55.0° | 180.0° |
| H11 | C17 | C18 | H21 | 174.8° | 60.0° |
| H12 | C22 | C21 | H14 | 69.2° | 60.0° |
| H12 | C22 | C21 | H15 | 50.2° | 60.0° |
| H13 | C22 | C21 | H14 | 49.9° | 180.0° |
| H13 | C22 | C21 | H15 | 169.3° | 60.0° |
| H14 | C21 | C20 | H16 | 56.5° | 60.0° |
| H14 | C21 | C20 | H17 | 63.0° | 180.0° |
| H15 | C21 | C20 | H16 | 175.9° | 60.0° |
| H15 | C21 | C20 | H17 | 56.5° | 60.0° |
| H16 | C20 | C19 | H18 | 60.3° | 60.0° |
| H16 | C20 | C19 | H19 | 179.8° | 60.0° |
| H17 | C20 | C19 | H18 | 59.1° | 180.0° |
| H17 | C20 | C19 | H19 | 60.4° | 60.1° |
| H18 | C19 | C18 | H20 | 63.2° | 180.0° |
| H18 | C19 | C18 | H21 | 56.6° | 60.0° |
| H19 | C19 | C18 | H20 | 56.2° | 60.0° |
| H19 | C19 | C18 | H21 | 176.1° | 60.0° |
