W5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C21 | doub | 1.21Å | 1.26Å | |
| C21 | O03 | sing | 1.34Å | 1.26Å | |
| C21 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | N05 | sing | 1.47Å | 1.45Å | |
| N05 | C10 | sing | 1.47Å | 1.45Å | |
| N05 | C08 | sing | 1.47Å | 1.45Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C18 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | O02 | sing | 1.43Å | 1.40Å | |
| C07 | C09 | sing | 1.51Å | 1.53Å | |
| C23 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| O02 | C14 | sing | 1.36Å | 1.40Å | |
| C14 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.48Å | 1.52Å | |
| C19 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | F01 | sing | 1.35Å | 1.36Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| O03 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C21 | O03 | 120.1° | 120.0° |
| O04 | C21 | C10 | 120.0° | 120.0° |
| O03 | C21 | C10 | 119.9° | 120.0° |
| C21 | O03 | H25 | 109.5° | 117.0° |
| C21 | C10 | N05 | 108.9° | 109.4° |
| C21 | C10 | H6 | 109.6° | 109.5° |
| C21 | C10 | H7 | 109.6° | 109.5° |
| C11 | N05 | C10 | 108.9° | 110.9° |
| C11 | N05 | C08 | 109.4° | 111.0° |
| N05 | C11 | H8 | 109.5° | 109.5° |
| N05 | C11 | H9 | 109.5° | 109.4° |
| N05 | C11 | H10 | 109.5° | 109.5° |
| C10 | N05 | C08 | 109.6° | 111.0° |
| N05 | C10 | H6 | 109.6° | 109.5° |
| N05 | C10 | H7 | 109.6° | 109.4° |
| N05 | C08 | C06 | 109.0° | 109.5° |
| N05 | C08 | H4 | 109.6° | 109.4° |
| N05 | C08 | H5 | 109.6° | 109.5° |
| C08 | C06 | C07 | 109.7° | 109.4° |
| C08 | C06 | H1 | 109.4° | 109.4° |
| C08 | C06 | H2 | 109.4° | 109.5° |
| C06 | C08 | H4 | 109.6° | 109.5° |
| C06 | C08 | H5 | 109.6° | 109.5° |
| C06 | C07 | O02 | 109.5° | 109.4° |
| C06 | C07 | C09 | 109.4° | 109.5° |
| C07 | C06 | H1 | 109.4° | 109.5° |
| C07 | C06 | H2 | 109.4° | 109.5° |
| C06 | C07 | H3 | 108.5° | 109.5° |
| C23 | C18 | C14 | 120.2° | 120.0° |
| C18 | C23 | C19 | 119.9° | 119.9° |
| C23 | C18 | H16 | 119.9° | 120.0° |
| C18 | C23 | H18 | 120.1° | 120.0° |
| C18 | C14 | O02 | 120.2° | 119.9° |
| C18 | C14 | C17 | 119.9° | 120.1° |
| C14 | C18 | H16 | 119.9° | 119.9° |
| O02 | C07 | C09 | 110.6° | 109.4° |
| C07 | O02 | C14 | 113.9° | 117.0° |
| O02 | C07 | H3 | 110.3° | 109.5° |
| C07 | C09 | C13 | 119.8° | 120.0° |
| C07 | C09 | C12 | 120.4° | 120.0° |
| C09 | C07 | H3 | 108.5° | 109.5° |
| C23 | C19 | C24 | 120.2° | 120.1° |
| C23 | C19 | C22 | 119.9° | 119.9° |
| C19 | C23 | H18 | 120.0° | 120.0° |
| C09 | C13 | C16 | 120.1° | 120.0° |
| C13 | C09 | C12 | 119.9° | 120.1° |
| C09 | C13 | H12 | 120.0° | 120.0° |
| C13 | C16 | C20 | 120.0° | 120.0° |
| C16 | C13 | H12 | 119.9° | 120.0° |
| C13 | C16 | H14 | 120.0° | 120.0° |
| O02 | C14 | C17 | 119.9° | 119.9° |
| C14 | C17 | C22 | 120.0° | 120.1° |
| C14 | C17 | H15 | 120.0° | 120.0° |
| C09 | C12 | C15 | 120.0° | 120.0° |
| C09 | C12 | H11 | 120.0° | 120.0° |
| C16 | C20 | C15 | 119.9° | 119.9° |
| C16 | C20 | F01 | 120.0° | 120.0° |
| C20 | C16 | H14 | 120.0° | 120.0° |
| C24 | C19 | C22 | 119.9° | 120.0° |
| C19 | C24 | C26 | 119.9° | 120.1° |
| C19 | C24 | C25 | 120.1° | 120.1° |
| C19 | C22 | C17 | 120.1° | 119.9° |
| C19 | C22 | H17 | 119.9° | 120.0° |
| C24 | C26 | C28 | 120.1° | 119.9° |
| C26 | C24 | C25 | 120.0° | 119.7° |
| C24 | C26 | H20 | 120.0° | 120.1° |
| C26 | C28 | C29 | 119.9° | 120.1° |
| C28 | C26 | H20 | 120.0° | 120.0° |
| C26 | C28 | H22 | 120.0° | 120.0° |
| C24 | C25 | C27 | 120.0° | 119.9° |
| C24 | C25 | H19 | 120.0° | 120.0° |
| C28 | C29 | C27 | 120.0° | 120.3° |
| C29 | C28 | H22 | 120.0° | 119.9° |
| C28 | C29 | H23 | 120.0° | 119.9° |
| C22 | C17 | H15 | 120.0° | 119.9° |
| C17 | C22 | H17 | 120.0° | 120.1° |
| C25 | C27 | C29 | 120.0° | 120.1° |
| C27 | C25 | H19 | 120.0° | 120.2° |
| C25 | C27 | H21 | 120.0° | 119.9° |
| C29 | C27 | H21 | 120.0° | 120.0° |
| C27 | C29 | H23 | 120.0° | 119.8° |
| C12 | C15 | C20 | 120.1° | 120.0° |
| C15 | C12 | H11 | 120.0° | 120.0° |
| C12 | C15 | H13 | 119.9° | 120.1° |
| C15 | C20 | F01 | 120.1° | 120.1° |
| C20 | C15 | H13 | 120.0° | 120.0° |
| H1 | C06 | H2 | 109.5° | 109.5° |
| H4 | C08 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C21 | O03 | C10 | 179.9° | 180.0° |
| O04 | C21 | C10 | N05 | 59.3° | 0.0° |
| O04 | C21 | C10 | H6 | 179.2° | 120.0° |
| O04 | C21 | C10 | H7 | 60.6° | 120.0° |
| O04 | C21 | O03 | H25 | 0.0° | 0.0° |
| O03 | C21 | C10 | N05 | 120.6° | 180.0° |
| O03 | C21 | C10 | H6 | 0.7° | 60.0° |
| O03 | C21 | C10 | H7 | 119.5° | 60.0° |
| C21 | C10 | N05 | C11 | 59.8° | 66.1° |
| C21 | C10 | N05 | H6 | 119.9° | 120.0° |
| C21 | C10 | N05 | H7 | 119.9° | 120.0° |
| C21 | C10 | N05 | C08 | 179.5° | 170.0° |
| C21 | C10 | H6 | H7 | 120.3° | 120.0° |
| C10 | C21 | O03 | H25 | 179.9° | 180.0° |
| C11 | N05 | C10 | C08 | 119.7° | 123.9° |
| C11 | N05 | C08 | C06 | 117.5° | 66.1° |
| C11 | N05 | C08 | H4 | 2.4° | 173.9° |
| C11 | N05 | C08 | H5 | 122.6° | 53.9° |
| C11 | N05 | C10 | H6 | 60.1° | 54.0° |
| C11 | N05 | C10 | H7 | 179.7° | 174.0° |
| N05 | C11 | H8 | H9 | 120.0° | 119.9° |
| N05 | C11 | H8 | H10 | 120.0° | 120.1° |
| N05 | C11 | H9 | H10 | 120.0° | 120.0° |
| C10 | N05 | C08 | C06 | 123.1° | 170.0° |
| C10 | N05 | C08 | H4 | 117.0° | 50.1° |
| C10 | N05 | C08 | H5 | 3.2° | 70.0° |
| N05 | C10 | H6 | H7 | 120.3° | 120.0° |
| C10 | N05 | C11 | H8 | 180.0° | 60.0° |
| C10 | N05 | C11 | H9 | 60.0° | 179.9° |
| C10 | N05 | C11 | H10 | 60.0° | 60.1° |
| N05 | C08 | C06 | H4 | 119.9° | 119.9° |
| N05 | C08 | C06 | H5 | 119.9° | 120.0° |
| N05 | C08 | C06 | C07 | 172.1° | 180.0° |
| N05 | C08 | C06 | H1 | 52.1° | 60.1° |
| N05 | C08 | C06 | H2 | 67.8° | 60.0° |
| N05 | C08 | H4 | H5 | 120.2° | 120.0° |
| C08 | N05 | C10 | H6 | 59.6° | 69.9° |
| C08 | N05 | C10 | H7 | 60.6° | 50.1° |
| C08 | N05 | C11 | H8 | 60.2° | 63.9° |
| C08 | N05 | C11 | H9 | 179.8° | 56.0° |
| C08 | N05 | C11 | H10 | 59.8° | 176.0° |
| C08 | C06 | C07 | H1 | 120.0° | 119.9° |
| C08 | C06 | C07 | H2 | 120.1° | 120.0° |
| C08 | C06 | C07 | O02 | 61.9° | 65.1° |
| C08 | C06 | C07 | C09 | 59.5° | 175.0° |
| C08 | C06 | H1 | H2 | 119.9° | 120.0° |
| C08 | C06 | C07 | H3 | 177.7° | 55.0° |
| C06 | C08 | H4 | H5 | 120.2° | 120.0° |
| C06 | C07 | O02 | C09 | 120.7° | 120.0° |
| C06 | C07 | O02 | H3 | 119.4° | 120.1° |
| C06 | C07 | C09 | H3 | 118.2° | 120.1° |
| C06 | C07 | C09 | C13 | 56.5° | 80.2° |
| C06 | C07 | O02 | C14 | 143.2° | 155.7° |
| C06 | C07 | C09 | C12 | 123.6° | 100.0° |
| C07 | C06 | H1 | H2 | 119.9° | 120.1° |
| C07 | C06 | C08 | H4 | 68.0° | 60.0° |
| C07 | C06 | C08 | H5 | 52.2° | 60.0° |
| C23 | C18 | C14 | H16 | 180.0° | 180.0° |
| C18 | C23 | C19 | H18 | 180.0° | 179.9° |
| C23 | C18 | C14 | O02 | 179.9° | 179.7° |
| C23 | C18 | C14 | C17 | 0.1° | 0.1° |
| C18 | C23 | C19 | C24 | 179.8° | 179.9° |
| C18 | C23 | C19 | C22 | 0.2° | 0.0° |
| C18 | C14 | O02 | C07 | 52.3° | 5.8° |
| C14 | C18 | C23 | C19 | 0.1° | 0.1° |
| C18 | C14 | O02 | C17 | 179.7° | 179.8° |
| C18 | C14 | C17 | C22 | 0.2° | 0.0° |
| C18 | C14 | C17 | H15 | 179.8° | 180.0° |
| C14 | C18 | C23 | H18 | 179.9° | 180.0° |
| O02 | C07 | C09 | H3 | 121.1° | 120.0° |
| O02 | C07 | C09 | C13 | 177.2° | 39.7° |
| C07 | O02 | C14 | C17 | 127.4° | 174.4° |
| O02 | C07 | C09 | C12 | 2.9° | 140.0° |
| O02 | C07 | C06 | H1 | 178.1° | 175.0° |
| O02 | C07 | C06 | H2 | 58.2° | 54.9° |
| C07 | C09 | C13 | C12 | 179.9° | 179.8° |
| C07 | C09 | C13 | C16 | 179.9° | 180.0° |
| C09 | C07 | O02 | C14 | 96.2° | 84.4° |
| C07 | C09 | C12 | C15 | 179.9° | 180.0° |
| C09 | C07 | C06 | H1 | 60.6° | 55.1° |
| C09 | C07 | C06 | H2 | 179.5° | 65.0° |
| C07 | C09 | C12 | H11 | 0.1° | 0.0° |
| C07 | C09 | C13 | H12 | 0.1° | 0.1° |
| C23 | C19 | C24 | C22 | 179.6° | 180.0° |
| C23 | C19 | C24 | C26 | 60.7° | 179.8° |
| C23 | C19 | C24 | C25 | 119.2° | 0.0° |
| C23 | C19 | C22 | C17 | 0.2° | 0.0° |
| C19 | C23 | C18 | H16 | 180.0° | 179.9° |
| C23 | C19 | C22 | H17 | 179.8° | 180.0° |
| C09 | C13 | C16 | H12 | 180.0° | 179.9° |
| C09 | C13 | C16 | C20 | 0.1° | 0.1° |
| C13 | C09 | C12 | C15 | 0.0° | 0.3° |
| C13 | C09 | C07 | H3 | 61.8° | 159.7° |
| C13 | C09 | C12 | H11 | 180.0° | 179.8° |
| C09 | C13 | C16 | H14 | 179.9° | 180.0° |
| C16 | C13 | C09 | C12 | 0.0° | 0.2° |
| C13 | C16 | C20 | H14 | 180.0° | 179.9° |
| C13 | C16 | C20 | C15 | 0.1° | 0.4° |
| C13 | C16 | C20 | F01 | 180.0° | 180.0° |
| O02 | C14 | C17 | C22 | 179.9° | 179.8° |
| C14 | O02 | C07 | H3 | 23.8° | 35.6° |
| O02 | C14 | C17 | H15 | 0.1° | 0.2° |
| O02 | C14 | C18 | H16 | 0.1° | 0.3° |
| C14 | C17 | C22 | C19 | 0.0° | 0.0° |
| C14 | C17 | C22 | H15 | 180.0° | 180.0° |
| C17 | C14 | C18 | H16 | 179.8° | 179.9° |
| C14 | C17 | C22 | H17 | 180.0° | 180.0° |
| C09 | C12 | C15 | H11 | 180.0° | 180.0° |
| C09 | C12 | C15 | C20 | 0.1° | 0.0° |
| C12 | C09 | C07 | H3 | 118.1° | 20.1° |
| C12 | C09 | C13 | H12 | 180.0° | 179.7° |
| C09 | C12 | C15 | H13 | 179.9° | 179.9° |
| C16 | C20 | C15 | C12 | 0.0° | 0.3° |
| C16 | C20 | C15 | F01 | 180.0° | 179.6° |
| C20 | C16 | C13 | H12 | 180.0° | 180.0° |
| C16 | C20 | C15 | H13 | 180.0° | 179.7° |
| C19 | C24 | C26 | C25 | 180.0° | 179.8° |
| C19 | C24 | C26 | C28 | 180.0° | 180.0° |
| C24 | C19 | C22 | C17 | 179.8° | 180.0° |
| C19 | C24 | C25 | C27 | 180.0° | 180.0° |
| C24 | C19 | C22 | H17 | 0.2° | 0.1° |
| C24 | C19 | C23 | H18 | 0.2° | 0.0° |
| C19 | C24 | C25 | H19 | 0.0° | 0.0° |
| C19 | C24 | C26 | H20 | 0.0° | 0.1° |
| C22 | C19 | C24 | C26 | 118.8° | 0.2° |
| C22 | C19 | C24 | C25 | 61.2° | 180.0° |
| C19 | C22 | C17 | H17 | 180.0° | 180.0° |
| C19 | C22 | C17 | H15 | 180.0° | 180.0° |
| C22 | C19 | C23 | H18 | 179.7° | 180.0° |
| C24 | C26 | C28 | H20 | 180.0° | 179.9° |
| C24 | C26 | C28 | C29 | 0.0° | 0.0° |
| C26 | C24 | C25 | C27 | 0.0° | 0.2° |
| C26 | C24 | C25 | H19 | 180.0° | 179.8° |
| C24 | C26 | C28 | H22 | 179.9° | 180.0° |
| C28 | C26 | C24 | C25 | 0.0° | 0.2° |
| C26 | C28 | C29 | H22 | 180.0° | 180.0° |
| C26 | C28 | C29 | C27 | 0.0° | 0.3° |
| C26 | C28 | C29 | H23 | 180.0° | 179.9° |
| C24 | C25 | C27 | H19 | 180.0° | 180.0° |
| C24 | C25 | C27 | C29 | 0.0° | 0.0° |
| C25 | C24 | C26 | H20 | 180.0° | 179.7° |
| C24 | C25 | C27 | H21 | 180.0° | 180.0° |
| C28 | C29 | C27 | C25 | 0.0° | 0.3° |
| C28 | C29 | C27 | H23 | 180.0° | 179.8° |
| C29 | C28 | C26 | H20 | 180.0° | 180.0° |
| C28 | C29 | C27 | H21 | 180.0° | 179.8° |
| C25 | C27 | C29 | H21 | 180.0° | 180.0° |
| C25 | C27 | C29 | H23 | 180.0° | 179.9° |
| C29 | C27 | C25 | H19 | 180.0° | 180.0° |
| C27 | C29 | C28 | H22 | 180.0° | 179.7° |
| C12 | C15 | C20 | H13 | 180.0° | 179.9° |
| C12 | C15 | C20 | F01 | 180.0° | 180.0° |
| C20 | C15 | C12 | H11 | 179.9° | 180.0° |
| C15 | C20 | C16 | H14 | 179.9° | 179.7° |
| F01 | C20 | C15 | H13 | 0.1° | 0.1° |
| F01 | C20 | C16 | H14 | 0.0° | 0.1° |
| H1 | C06 | C07 | H3 | 57.6° | 65.0° |
| H1 | C06 | C08 | H4 | 172.0° | 180.0° |
| H1 | C06 | C08 | H5 | 67.9° | 60.0° |
| H2 | C06 | C07 | H3 | 62.3° | 175.0° |
| H2 | C06 | C08 | H4 | 52.1° | 60.0° |
| H2 | C06 | C08 | H5 | 172.2° | 180.0° |
| H8 | C11 | H9 | H10 | 119.9° | 120.0° |
| H11 | C12 | C15 | H13 | 0.1° | 0.0° |
| H12 | C13 | C16 | H14 | 0.0° | 0.1° |
| H15 | C17 | C22 | H17 | 0.0° | 0.0° |
| H16 | C18 | C23 | H18 | 0.1° | 0.0° |
| H19 | C25 | C27 | H21 | 0.0° | 0.0° |
| H20 | C26 | C28 | H22 | 0.1° | 0.0° |
| H21 | C27 | C29 | H23 | 0.0° | 0.0° |
| H22 | C28 | C29 | H23 | 0.1° | 0.1° |
