W5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.22Å | 1.18Å | |
| F25 | C23 | sing | 1.40Å | 1.36Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.53Å | |
| C15 | N14 | sing | 1.35Å | 1.45Å | |
| C03 | N04 | sing | 1.47Å | 1.48Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| N04 | C05 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | CL27 | sing | 1.74Å | 1.78Å | |
| C19 | C23 | sing | 1.51Å | 1.52Å | |
| F24 | C23 | sing | 1.40Å | 1.36Å | |
| C23 | F26 | sing | 1.40Å | 1.36Å | |
| C05 | C07 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | N14 | sing | 1.46Å | 1.45Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.48Å | |
| C01 | C06 | sing | 1.53Å | 1.48Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| N04 | H19 | sing | 1.01Å | 1.00Å | |
| N14 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C17 | 120.4° | 120.0° |
| O16 | C15 | N14 | 120.2° | 120.0° |
| F25 | C23 | C19 | 109.4° | 109.5° |
| F25 | C23 | F24 | 109.6° | 109.5° |
| F25 | C23 | F26 | 109.5° | 109.5° |
| C21 | C22 | C17 | 120.0° | 119.9° |
| C22 | C21 | C20 | 119.9° | 120.2° |
| C21 | C22 | H5 | 120.0° | 120.1° |
| C22 | C21 | H18 | 120.0° | 119.9° |
| C22 | C17 | C15 | 119.4° | 120.1° |
| C22 | C17 | C18 | 120.1° | 119.7° |
| C17 | C22 | H5 | 120.0° | 120.0° |
| C17 | C15 | N14 | 119.4° | 120.0° |
| C15 | C17 | C18 | 120.5° | 120.1° |
| C15 | N14 | C07 | 120.3° | 120.0° |
| C15 | N14 | H21 | 119.8° | 120.0° |
| N04 | C03 | C02 | 112.6° | 109.5° |
| C03 | N04 | C05 | 110.6° | 111.2° |
| N04 | C03 | H10 | 108.7° | 109.4° |
| N04 | C03 | H11 | 108.7° | 109.5° |
| C03 | N04 | H19 | 109.2° | 111.0° |
| C03 | C02 | C01 | 113.6° | 109.3° |
| C03 | C02 | H8 | 108.4° | 109.5° |
| C03 | C02 | H9 | 108.4° | 109.5° |
| C02 | C03 | H10 | 108.7° | 109.5° |
| C02 | C03 | H11 | 108.7° | 109.5° |
| C21 | C20 | C19 | 120.0° | 120.3° |
| C21 | C20 | H4 | 120.0° | 119.8° |
| C20 | C21 | H18 | 120.1° | 119.9° |
| C17 | C18 | C19 | 119.8° | 119.8° |
| C17 | C18 | CL27 | 120.2° | 120.1° |
| N04 | C05 | C07 | 111.2° | 109.5° |
| N04 | C05 | C06 | 111.3° | 109.5° |
| N04 | C05 | H12 | 108.1° | 109.4° |
| C05 | N04 | H19 | 109.2° | 111.0° |
| C20 | C19 | C18 | 120.2° | 120.2° |
| C20 | C19 | C23 | 119.9° | 119.9° |
| C19 | C20 | H4 | 120.0° | 119.9° |
| C19 | C18 | CL27 | 120.0° | 120.1° |
| C18 | C19 | C23 | 120.0° | 119.9° |
| C19 | C23 | F24 | 109.1° | 109.5° |
| C19 | C23 | F26 | 109.4° | 109.4° |
| F24 | C23 | F26 | 109.8° | 109.4° |
| C07 | C05 | C06 | 111.0° | 109.5° |
| C05 | C07 | N14 | 107.8° | 109.5° |
| C05 | C07 | C08 | 112.2° | 109.5° |
| C07 | C05 | H12 | 107.4° | 109.5° |
| C05 | C07 | H15 | 108.6° | 109.4° |
| C05 | C06 | C01 | 110.5° | 109.3° |
| C06 | C05 | H12 | 107.6° | 109.5° |
| C05 | C06 | H13 | 109.2° | 109.6° |
| C05 | C06 | H14 | 109.2° | 109.5° |
| N14 | C07 | C08 | 109.8° | 109.5° |
| N14 | C07 | H15 | 109.7° | 109.5° |
| C07 | N14 | H21 | 119.8° | 120.0° |
| C07 | C08 | C09 | 120.6° | 120.0° |
| C07 | C08 | C13 | 119.8° | 120.0° |
| C08 | C07 | H15 | 108.7° | 109.5° |
| C02 | C01 | C06 | 112.6° | 109.1° |
| C02 | C01 | H6 | 108.7° | 109.6° |
| C02 | C01 | H7 | 108.7° | 109.5° |
| C01 | C02 | H8 | 108.4° | 109.5° |
| C01 | C02 | H9 | 108.4° | 109.5° |
| C06 | C01 | H6 | 108.7° | 109.5° |
| C06 | C01 | H7 | 108.7° | 109.5° |
| C01 | C06 | H13 | 109.2° | 109.5° |
| C01 | C06 | H14 | 109.2° | 109.5° |
| C09 | C08 | C13 | 119.6° | 120.0° |
| C08 | C09 | C10 | 120.1° | 120.0° |
| C08 | C09 | H16 | 119.9° | 120.1° |
| C08 | C13 | C12 | 120.3° | 120.0° |
| C08 | C13 | H17 | 119.8° | 120.1° |
| C09 | C10 | C11 | 120.1° | 120.0° |
| C09 | C10 | H1 | 119.9° | 120.0° |
| C10 | C09 | H16 | 119.9° | 119.9° |
| C13 | C12 | C11 | 120.1° | 120.0° |
| C13 | C12 | H3 | 120.0° | 120.0° |
| C12 | C13 | H17 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H2 | 120.1° | 120.0° |
| C12 | C11 | H2 | 120.1° | 120.0° |
| C11 | C12 | H3 | 120.0° | 120.0° |
| H6 | C01 | H7 | 109.4° | 109.6° |
| H8 | C02 | H9 | 109.4° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H13 | C06 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C17 | C22 | 105.2° | 179.7° |
| O16 | C15 | C17 | N14 | 179.5° | 180.0° |
| O16 | C15 | C17 | C18 | 74.6° | 0.0° |
| O16 | C15 | N14 | C07 | 0.1° | 0.0° |
| O16 | C15 | N14 | H21 | 180.0° | 180.0° |
| F25 | C23 | C19 | C20 | 132.5° | 120.0° |
| F25 | C23 | C19 | C18 | 47.3° | 60.1° |
| F25 | C23 | C19 | F24 | 119.9° | 120.0° |
| F25 | C23 | C19 | F26 | 119.9° | 120.0° |
| F25 | C23 | F24 | F26 | 120.2° | 120.0° |
| C21 | C22 | C17 | H5 | 180.0° | 180.0° |
| C21 | C22 | C17 | C15 | 179.9° | 179.7° |
| C22 | C21 | C20 | H18 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.2° | 0.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C22 | C21 | C20 | H4 | 179.9° | 180.0° |
| C22 | C17 | C15 | C18 | 179.8° | 179.7° |
| C22 | C17 | C15 | N14 | 74.3° | 0.3° |
| C17 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C17 | C18 | C19 | 0.3° | 0.0° |
| C22 | C17 | C18 | CL27 | 180.0° | 180.0° |
| C17 | C22 | C21 | H18 | 180.0° | 180.0° |
| C15 | C17 | C18 | C19 | 180.0° | 179.7° |
| C15 | C17 | C18 | CL27 | 0.2° | 0.3° |
| C17 | C15 | N14 | C07 | 179.5° | 180.0° |
| C15 | C17 | C22 | H5 | 0.1° | 0.3° |
| C17 | C15 | N14 | H21 | 0.5° | 0.0° |
| N14 | C15 | C17 | C18 | 106.0° | 180.0° |
| C15 | N14 | C07 | C05 | 108.9° | 155.0° |
| C15 | N14 | C07 | H21 | 180.0° | 180.0° |
| C15 | N14 | C07 | C08 | 128.7° | 85.0° |
| C15 | N14 | C07 | H15 | 9.3° | 35.0° |
| N04 | C03 | C02 | H10 | 120.5° | 120.0° |
| N04 | C03 | C02 | H11 | 120.5° | 120.0° |
| C03 | N04 | C05 | H19 | 120.2° | 124.1° |
| C03 | N04 | C05 | C07 | 177.3° | 178.3° |
| C03 | N04 | C05 | C06 | 58.4° | 61.8° |
| N04 | C03 | C02 | C01 | 48.5° | 59.2° |
| N04 | C03 | C02 | H8 | 72.2° | 179.1° |
| N04 | C03 | C02 | H9 | 169.1° | 60.8° |
| N04 | C03 | H10 | H11 | 118.6° | 120.0° |
| C03 | N04 | C05 | H12 | 59.5° | 58.3° |
| C02 | C03 | N04 | C05 | 53.0° | 61.7° |
| C03 | C02 | C01 | H8 | 120.6° | 119.9° |
| C03 | C02 | C01 | H9 | 120.6° | 120.0° |
| C03 | C02 | C01 | C06 | 48.5° | 57.7° |
| C03 | C02 | C01 | H6 | 169.0° | 177.6° |
| C03 | C02 | C01 | H7 | 72.0° | 62.2° |
| C03 | C02 | H8 | H9 | 118.1° | 120.1° |
| C02 | C03 | H10 | H11 | 118.6° | 120.0° |
| C02 | C03 | N04 | H19 | 173.1° | 174.2° |
| C21 | C20 | C19 | H4 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.1° |
| C21 | C20 | C19 | C23 | 180.0° | 180.0° |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.1° |
| C17 | C18 | C19 | CL27 | 179.7° | 180.0° |
| C17 | C18 | C19 | C23 | 179.9° | 180.0° |
| C18 | C17 | C22 | H5 | 179.9° | 180.0° |
| N04 | C05 | C07 | C06 | 124.5° | 120.0° |
| N04 | C05 | C07 | H12 | 118.1° | 119.9° |
| N04 | C05 | C06 | H12 | 118.3° | 120.0° |
| N04 | C05 | C07 | N14 | 162.2° | 60.1° |
| N04 | C05 | C07 | C08 | 76.9° | 60.0° |
| N04 | C05 | C06 | C01 | 58.5° | 59.2° |
| C05 | N04 | C03 | H10 | 173.4° | 58.3° |
| C05 | N04 | C03 | H11 | 67.5° | 178.3° |
| N04 | C05 | C06 | H13 | 178.7° | 60.8° |
| N04 | C05 | C06 | H14 | 61.7° | 179.1° |
| N04 | C05 | C07 | H15 | 43.3° | 179.9° |
| C20 | C19 | C18 | C23 | 179.8° | 179.9° |
| C20 | C19 | C18 | CL27 | 180.0° | 179.9° |
| C20 | C19 | C23 | F24 | 12.6° | 120.0° |
| C20 | C19 | C23 | F26 | 107.6° | 0.0° |
| C19 | C20 | C21 | H18 | 180.0° | 179.9° |
| C18 | C19 | C23 | F24 | 167.2° | 59.9° |
| C18 | C19 | C23 | F26 | 72.7° | 179.9° |
| C18 | C19 | C20 | H4 | 179.8° | 179.9° |
| CL27 | C18 | C19 | C23 | 0.2° | 0.0° |
| C19 | C23 | F24 | F26 | 119.9° | 119.9° |
| C23 | C19 | C20 | H4 | 0.0° | 0.0° |
| C07 | C05 | C06 | H12 | 117.3° | 120.0° |
| C05 | C07 | N14 | C08 | 122.5° | 120.0° |
| C05 | C07 | N14 | H15 | 118.1° | 120.0° |
| C05 | C07 | C08 | H15 | 120.2° | 120.0° |
| C07 | C05 | C06 | C01 | 177.1° | 179.2° |
| C05 | C07 | C08 | C09 | 67.0° | 100.0° |
| C05 | C07 | C08 | C13 | 114.0° | 80.6° |
| C07 | C05 | C06 | H13 | 56.9° | 59.2° |
| C07 | C05 | C06 | H14 | 62.7° | 60.9° |
| C07 | C05 | N04 | H19 | 57.1° | 54.1° |
| C05 | C07 | N14 | H21 | 71.2° | 25.0° |
| C06 | C05 | C07 | N14 | 73.3° | 59.9° |
| C06 | C05 | C07 | C08 | 47.6° | 180.0° |
| C05 | C06 | C01 | C02 | 52.9° | 57.7° |
| C05 | C06 | C01 | H13 | 120.2° | 120.0° |
| C05 | C06 | C01 | H14 | 120.2° | 119.9° |
| C05 | C06 | C01 | H6 | 173.4° | 177.6° |
| C05 | C06 | C01 | H7 | 67.6° | 62.2° |
| C05 | C06 | H13 | H14 | 119.5° | 120.1° |
| C06 | C05 | C07 | H15 | 167.8° | 60.1° |
| C06 | C05 | N04 | H19 | 178.6° | 174.1° |
| N14 | C07 | C08 | H15 | 120.0° | 120.0° |
| N14 | C07 | C08 | C09 | 173.2° | 140.0° |
| N14 | C07 | C08 | C13 | 5.8° | 39.4° |
| N14 | C07 | C05 | H12 | 44.0° | 180.0° |
| C07 | C08 | C09 | C13 | 179.0° | 179.4° |
| C07 | C08 | C09 | C10 | 179.8° | 180.0° |
| C07 | C08 | C13 | C12 | 179.7° | 179.7° |
| C08 | C07 | C05 | H12 | 165.0° | 60.0° |
| C07 | C08 | C09 | H16 | 0.2° | 0.6° |
| C07 | C08 | C13 | H17 | 0.3° | 0.6° |
| C08 | C07 | N14 | H21 | 51.3° | 95.0° |
| C02 | C01 | C06 | H6 | 120.5° | 119.9° |
| C02 | C01 | C06 | H7 | 120.5° | 119.9° |
| C02 | C01 | H6 | H7 | 118.6° | 120.2° |
| C01 | C02 | H8 | H9 | 118.1° | 120.0° |
| C01 | C02 | C03 | H10 | 168.9° | 60.8° |
| C01 | C02 | C03 | H11 | 72.0° | 179.2° |
| C02 | C01 | C06 | H13 | 173.1° | 62.4° |
| C02 | C01 | C06 | H14 | 67.3° | 177.5° |
| C06 | C01 | H6 | H7 | 118.6° | 120.1° |
| C06 | C01 | C02 | H8 | 72.1° | 177.6° |
| C06 | C01 | C02 | H9 | 169.2° | 62.4° |
| C01 | C06 | C05 | H12 | 59.8° | 60.8° |
| C01 | C06 | H13 | H14 | 119.5° | 120.1° |
| C08 | C09 | C10 | H16 | 180.0° | 179.4° |
| C09 | C08 | C13 | C12 | 0.7° | 0.9° |
| C08 | C09 | C10 | C11 | 0.5° | 0.0° |
| C08 | C09 | C10 | H1 | 179.5° | 179.7° |
| C09 | C08 | C07 | H15 | 53.2° | 20.0° |
| C09 | C08 | C13 | H17 | 179.3° | 180.0° |
| C13 | C08 | C09 | C10 | 0.8° | 0.6° |
| C08 | C13 | C12 | H17 | 180.0° | 179.1° |
| C08 | C13 | C12 | C11 | 0.3° | 0.6° |
| C08 | C13 | C12 | H3 | 179.7° | 179.5° |
| C13 | C08 | C07 | H15 | 125.8° | 159.4° |
| C13 | C08 | C09 | H16 | 179.2° | 180.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | H2 | 179.9° | 179.7° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C13 | C12 | C11 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | H3 | 180.0° | 179.9° |
| C11 | C10 | C09 | H16 | 179.5° | 179.4° |
| C12 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C12 | C13 | H17 | 179.7° | 179.7° |
| H1 | C10 | C11 | H2 | 0.1° | 0.0° |
| H1 | C10 | C09 | H16 | 0.5° | 0.4° |
| H2 | C11 | C12 | H3 | 0.0° | 0.0° |
| H3 | C12 | C13 | H17 | 0.3° | 0.4° |
| H4 | C20 | C21 | H18 | 0.0° | 0.0° |
| H5 | C22 | C21 | H18 | 0.0° | 0.1° |
| H6 | C01 | C02 | H8 | 48.4° | 62.5° |
| H6 | C01 | C02 | H9 | 70.4° | 57.6° |
| H6 | C01 | C06 | H13 | 66.4° | 57.6° |
| H6 | C01 | C06 | H14 | 53.2° | 62.5° |
| H7 | C01 | C02 | H8 | 167.4° | 57.7° |
| H7 | C01 | C02 | H9 | 48.7° | 177.8° |
| H7 | C01 | C06 | H13 | 52.6° | 177.8° |
| H7 | C01 | C06 | H14 | 172.3° | 57.6° |
| H8 | C02 | C03 | H10 | 48.3° | 59.2° |
| H8 | C02 | C03 | H11 | 167.4° | 60.9° |
| H9 | C02 | C03 | H10 | 70.5° | 179.2° |
| H9 | C02 | C03 | H11 | 48.6° | 59.2° |
| H10 | C03 | N04 | H19 | 66.4° | 65.8° |
| H11 | C03 | N04 | H19 | 52.7° | 54.2° |
| H12 | C05 | C06 | H13 | 60.4° | 179.2° |
| H12 | C05 | C06 | H14 | 180.0° | 59.1° |
| H12 | C05 | C07 | H15 | 74.8° | 60.0° |
| H12 | C05 | N04 | H19 | 60.6° | 65.8° |
| H15 | C07 | N14 | H21 | 170.7° | 145.0° |






