F5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| O05 | C16 | doub | 1.22Å | 1.18Å | |
| CL1 | C22 | sing | 1.74Å | 1.78Å | |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.52Å | |
| C17 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.48Å | 1.53Å | |
| C21 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | O02 | sing | 1.36Å | 1.40Å | |
| C08 | C06 | sing | 1.53Å | 1.55Å | |
| O02 | C06 | sing | 1.43Å | 1.42Å | |
| C06 | C10 | sing | 1.51Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C10 | O03 | doub | 1.21Å | 1.26Å | |
| C10 | O04 | sing | 1.34Å | 1.27Å | |
| C07 | H73 | sing | 1.09Å | 1.10Å | |
| C07 | H72 | sing | 1.09Å | 1.10Å | |
| C07 | H71 | sing | 1.09Å | 1.10Å | |
| C08 | H83 | sing | 1.09Å | 1.10Å | |
| C08 | H82 | sing | 1.09Å | 1.10Å | |
| C08 | H81 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C20 | C22 | 119.8° | 120.2° |
| C20 | C18 | C17 | 119.4° | 119.8° |
| C20 | C18 | H18 | 120.3° | 120.1° |
| C18 | C20 | H22 | 120.1° | 120.0° |
| C20 | C22 | CL1 | 121.4° | 119.9° |
| C20 | C22 | C21 | 120.4° | 120.3° |
| C22 | C20 | H22 | 120.1° | 119.8° |
| C18 | C17 | C16 | 120.9° | 120.1° |
| C18 | C17 | C19 | 120.8° | 119.7° |
| C17 | C18 | H18 | 120.3° | 120.1° |
| O05 | C16 | C17 | 119.5° | 120.0° |
| O05 | C16 | C11 | 119.6° | 120.0° |
| CL1 | C22 | C21 | 118.2° | 119.8° |
| C22 | C21 | C19 | 120.0° | 120.1° |
| C22 | C21 | H23 | 120.0° | 119.9° |
| C16 | C17 | C19 | 118.3° | 120.2° |
| C17 | C16 | C11 | 120.9° | 120.0° |
| C17 | C19 | C21 | 119.7° | 119.9° |
| C17 | C19 | H19 | 120.1° | 120.1° |
| C16 | C11 | C15 | 118.4° | 120.1° |
| C16 | C11 | C14 | 121.5° | 120.1° |
| C21 | C19 | H19 | 120.2° | 120.1° |
| C19 | C21 | H23 | 120.0° | 119.9° |
| C15 | C11 | C14 | 120.0° | 119.8° |
| C11 | C15 | C13 | 120.8° | 119.9° |
| C11 | C15 | H15 | 119.6° | 120.0° |
| C11 | C14 | C12 | 119.2° | 119.9° |
| C11 | C14 | H14 | 120.4° | 120.1° |
| C15 | C13 | C09 | 119.6° | 120.1° |
| C15 | C13 | H13 | 120.2° | 119.9° |
| C13 | C15 | H15 | 119.6° | 120.1° |
| C14 | C12 | C09 | 120.5° | 120.1° |
| C14 | C12 | H12 | 119.7° | 119.9° |
| C12 | C14 | H14 | 120.4° | 120.1° |
| C13 | C09 | C12 | 119.9° | 120.2° |
| C13 | C09 | O02 | 118.0° | 119.9° |
| C09 | C13 | H13 | 120.2° | 120.0° |
| C12 | C09 | O02 | 122.1° | 119.9° |
| C09 | C12 | H12 | 119.8° | 120.0° |
| C09 | O02 | C06 | 118.0° | 117.0° |
| C08 | C06 | O02 | 114.3° | 109.5° |
| C08 | C06 | C10 | 110.5° | 109.5° |
| C08 | C06 | C07 | 108.3° | 109.5° |
| C06 | C08 | H83 | 109.5° | 109.4° |
| C06 | C08 | H82 | 109.5° | 109.5° |
| C06 | C08 | H81 | 109.5° | 109.4° |
| O02 | C06 | C10 | 109.2° | 109.4° |
| O02 | C06 | C07 | 108.2° | 109.5° |
| C10 | C06 | C07 | 106.0° | 109.5° |
| C06 | C10 | O03 | 118.6° | 120.0° |
| C06 | C10 | O04 | 121.1° | 120.0° |
| C06 | C07 | H73 | 109.5° | 109.5° |
| C06 | C07 | H72 | 109.5° | 109.5° |
| C06 | C07 | H71 | 109.4° | 109.5° |
| O03 | C10 | O04 | 120.3° | 119.9° |
| C10 | O04 | H1 | 109.5° | 117.0° |
| H73 | C07 | H72 | 109.5° | 109.5° |
| H73 | C07 | H71 | 109.5° | 109.4° |
| H72 | C07 | H71 | 109.5° | 109.4° |
| H83 | C08 | H82 | 109.5° | 109.4° |
| H83 | C08 | H81 | 109.4° | 109.5° |
| H82 | C08 | H81 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C20 | C22 | H22 | 180.0° | 179.9° |
| C20 | C18 | C17 | H18 | 180.0° | 179.9° |
| C18 | C20 | C22 | CL1 | 179.7° | 180.0° |
| C18 | C20 | C22 | C21 | 0.6° | 0.4° |
| C20 | C18 | C17 | C16 | 180.0° | 180.0° |
| C20 | C18 | C17 | C19 | 0.1° | 0.2° |
| C22 | C20 | C18 | C17 | 0.3° | 0.1° |
| C20 | C22 | CL1 | C21 | 179.1° | 179.6° |
| C20 | C22 | C21 | C19 | 0.4° | 0.4° |
| C22 | C20 | C18 | H18 | 179.7° | 180.0° |
| C20 | C22 | C21 | H23 | 179.7° | 179.7° |
| C18 | C17 | C16 | O05 | 43.0° | 22.4° |
| C18 | C17 | C16 | C19 | 179.8° | 179.8° |
| C18 | C17 | C16 | C11 | 137.5° | 157.8° |
| C18 | C17 | C19 | C21 | 0.4° | 0.3° |
| C18 | C17 | C19 | H19 | 179.6° | 179.7° |
| C17 | C18 | C20 | H22 | 179.7° | 180.0° |
| O05 | C16 | C17 | C11 | 179.4° | 179.9° |
| O05 | C16 | C17 | C19 | 137.1° | 157.4° |
| O05 | C16 | C11 | C15 | 25.6° | 22.4° |
| O05 | C16 | C11 | C14 | 152.9° | 157.2° |
| CL1 | C22 | C21 | C19 | 179.5° | 180.0° |
| CL1 | C22 | C20 | H22 | 0.3° | 0.0° |
| CL1 | C22 | C21 | H23 | 0.6° | 0.1° |
| C22 | C21 | C19 | C17 | 0.1° | 0.0° |
| C22 | C21 | C19 | H23 | 180.0° | 179.9° |
| C22 | C21 | C19 | H19 | 179.9° | 180.0° |
| C21 | C22 | C20 | H22 | 179.4° | 179.7° |
| C16 | C17 | C19 | C21 | 179.8° | 180.0° |
| C17 | C16 | C11 | C15 | 153.9° | 157.4° |
| C17 | C16 | C11 | C14 | 27.7° | 22.9° |
| C16 | C17 | C18 | H18 | 0.0° | 0.1° |
| C16 | C17 | C19 | H19 | 0.2° | 0.0° |
| C19 | C17 | C16 | C11 | 42.3° | 22.5° |
| C17 | C19 | C21 | H19 | 180.0° | 180.0° |
| C19 | C17 | C18 | H18 | 179.9° | 179.7° |
| C17 | C19 | C21 | H23 | 179.9° | 180.0° |
| C16 | C11 | C15 | C14 | 178.5° | 179.6° |
| C16 | C11 | C15 | C13 | 178.5° | 180.0° |
| C16 | C11 | C14 | C12 | 178.7° | 180.0° |
| C16 | C11 | C14 | H14 | 1.4° | 0.4° |
| C16 | C11 | C15 | H15 | 1.5° | 0.4° |
| C11 | C15 | C13 | H15 | 180.0° | 179.6° |
| C15 | C11 | C14 | C12 | 0.3° | 0.3° |
| C11 | C15 | C13 | C09 | 0.2° | 0.1° |
| C11 | C15 | C13 | H13 | 179.8° | 180.0° |
| C15 | C11 | C14 | H14 | 179.8° | 180.0° |
| C14 | C11 | C15 | C13 | 0.1° | 0.4° |
| C11 | C14 | C12 | H14 | 180.0° | 179.7° |
| C11 | C14 | C12 | C09 | 0.1° | 0.0° |
| C11 | C14 | C12 | H12 | 179.9° | 180.0° |
| C14 | C11 | C15 | H15 | 179.9° | 180.0° |
| C15 | C13 | C09 | H13 | 180.0° | 179.9° |
| C15 | C13 | C09 | C12 | 0.3° | 0.2° |
| C15 | C13 | C09 | O02 | 178.5° | 179.9° |
| C14 | C12 | C09 | C13 | 0.2° | 0.2° |
| C14 | C12 | C09 | H12 | 180.0° | 180.0° |
| C14 | C12 | C09 | O02 | 178.7° | 179.9° |
| C13 | C09 | C12 | O02 | 178.8° | 179.7° |
| C13 | C09 | O02 | C06 | 117.4° | 5.9° |
| C13 | C09 | C12 | H12 | 179.8° | 179.8° |
| C09 | C13 | C15 | H15 | 179.8° | 179.7° |
| C12 | C09 | O02 | C06 | 63.8° | 174.4° |
| C12 | C09 | C13 | H13 | 179.7° | 179.7° |
| C09 | C12 | C14 | H14 | 179.9° | 179.7° |
| C09 | O02 | C06 | C08 | 43.4° | 178.5° |
| C09 | O02 | C06 | C10 | 81.0° | 61.6° |
| C09 | O02 | C06 | C07 | 164.1° | 58.4° |
| O02 | C09 | C12 | H12 | 1.3° | 0.1° |
| O02 | C09 | C13 | H13 | 1.5° | 0.0° |
| C08 | C06 | O02 | C10 | 124.3° | 120.0° |
| C08 | C06 | O02 | C07 | 120.7° | 120.0° |
| C08 | C06 | C10 | C07 | 117.1° | 120.0° |
| C08 | C06 | C10 | O03 | 145.1° | 120.0° |
| C08 | C06 | C10 | O04 | 34.9° | 60.0° |
| C08 | C06 | C07 | H73 | 180.0° | 66.5° |
| C08 | C06 | C07 | H72 | 60.0° | 53.5° |
| C08 | C06 | C07 | H71 | 60.0° | 173.5° |
| C06 | C08 | H83 | H82 | 120.0° | 120.0° |
| C06 | C08 | H83 | H81 | 120.0° | 120.0° |
| C06 | C08 | H82 | H81 | 120.0° | 120.0° |
| O02 | C06 | C10 | C07 | 116.4° | 120.0° |
| O02 | C06 | C10 | O03 | 18.6° | 0.0° |
| O02 | C06 | C10 | O04 | 161.4° | 180.0° |
| O02 | C06 | C07 | H73 | 55.6° | 173.5° |
| O02 | C06 | C07 | H72 | 175.6° | 66.5° |
| O02 | C06 | C07 | H71 | 64.4° | 53.5° |
| O02 | C06 | C08 | H83 | 180.0° | 55.0° |
| O02 | C06 | C08 | H82 | 60.0° | 64.9° |
| O02 | C06 | C08 | H81 | 60.0° | 175.0° |
| C06 | C10 | O03 | O04 | 179.9° | 180.0° |
| C10 | C06 | C07 | H73 | 61.4° | 53.5° |
| C10 | C06 | C07 | H72 | 58.5° | 173.5° |
| C10 | C06 | C07 | H71 | 178.5° | 66.5° |
| C10 | C06 | C08 | H83 | 56.4° | 64.9° |
| C10 | C06 | C08 | H82 | 63.7° | 175.2° |
| C10 | C06 | C08 | H81 | 176.4° | 55.1° |
| C06 | C10 | O04 | H1 | 179.9° | 180.0° |
| C07 | C06 | C10 | O03 | 97.9° | 120.0° |
| C07 | C06 | C10 | O04 | 82.2° | 60.0° |
| C06 | C07 | H73 | H72 | 120.0° | 120.1° |
| C06 | C07 | H73 | H71 | 120.0° | 120.0° |
| C06 | C07 | H72 | H71 | 120.0° | 120.0° |
| C07 | C06 | C08 | H83 | 59.3° | 175.1° |
| C07 | C06 | C08 | H82 | 179.3° | 55.1° |
| C07 | C06 | C08 | H81 | 60.7° | 65.0° |
| O03 | C10 | O04 | H1 | 0.0° | 0.0° |
| H73 | C07 | H72 | H71 | 120.0° | 119.9° |
| H83 | C08 | H82 | H81 | 120.0° | 120.0° |
| H12 | C12 | C14 | H14 | 0.1° | 0.3° |
| H13 | C13 | C15 | H15 | 0.2° | 0.3° |
| H18 | C18 | C20 | H22 | 0.3° | 0.1° |
| H19 | C19 | C21 | H23 | 0.2° | 0.0° |
