WI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| O23 | C19 | sing | 1.35Å | 1.40Å | |
| O15 | C13 | doub | 1.22Å | 1.19Å | |
| C26 | O17 | sing | 1.43Å | 1.41Å | |
| C18 | C06 | sing | 1.51Å | 1.53Å | |
| C19 | N20 | sing | 1.35Å | 1.33Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.55Å | |
| C13 | C01 | sing | 1.48Å | 1.52Å | |
| C24 | N20 | sing | 1.46Å | 1.45Å | |
| N20 | N21 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C22 | sing | 1.42Å | 1.38Å | Aromatic |
| O17 | C16 | sing | 1.43Å | 1.41Å | |
| C06 | C01 | doub | 1.39Å | 1.53Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.55Å | Aromatic |
| O12 | C10 | doub | 1.22Å | 1.19Å | |
| C01 | C02 | sing | 1.40Å | 1.52Å | Aromatic |
| C16 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C05 | sing | 1.47Å | 1.53Å | |
| C10 | N09 | sing | 1.35Å | 1.47Å | |
| C05 | C04 | doub | 1.41Å | 1.48Å | Aromatic |
| N21 | C22 | doub | 1.30Å | 1.32Å | Aromatic |
| C22 | C25 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.36Å | 1.52Å | Aromatic |
| C11 | N09 | sing | 1.47Å | 1.47Å | |
| N09 | C08 | sing | 1.36Å | 1.51Å | |
| C04 | C03 | sing | 1.40Å | 1.55Å | Aromatic |
| C04 | N07 | sing | 1.35Å | 1.45Å | |
| C08 | N07 | doub | 1.30Å | 1.48Å | |
| C08 | C28 | sing | 1.51Å | 1.51Å | |
| F31 | C28 | sing | 1.40Å | 1.36Å | |
| C28 | F29 | sing | 1.40Å | 1.36Å | |
| C28 | F30 | sing | 1.40Å | 1.36Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| O23 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | O17 | 109.2° | 109.5° |
| C27 | C26 | H4 | 109.5° | 109.5° |
| C27 | C26 | H5 | 109.5° | 109.4° |
| C26 | C27 | H19 | 109.5° | 109.5° |
| C26 | C27 | H20 | 109.5° | 109.5° |
| C26 | C27 | H21 | 109.5° | 109.5° |
| O23 | C19 | N20 | 127.6° | 126.4° |
| O23 | C19 | C14 | 124.6° | 126.4° |
| C19 | O23 | H10 | 109.5° | 114.0° |
| O15 | C13 | C14 | 122.6° | 120.0° |
| O15 | C13 | C01 | 115.7° | 120.0° |
| C26 | O17 | C16 | 115.1° | 114.0° |
| O17 | C26 | H4 | 109.5° | 109.5° |
| O17 | C26 | H5 | 109.6° | 109.5° |
| C18 | C06 | C01 | 118.4° | 120.3° |
| C18 | C06 | C05 | 123.7° | 120.4° |
| C06 | C18 | H13 | 109.5° | 109.5° |
| C06 | C18 | H14 | 109.5° | 109.4° |
| C06 | C18 | H15 | 109.5° | 109.5° |
| N20 | C19 | C14 | 107.9° | 107.2° |
| C19 | N20 | C24 | 127.3° | 125.8° |
| C19 | N20 | N21 | 108.3° | 108.5° |
| C19 | C14 | C13 | 122.6° | 126.5° |
| C19 | C14 | C22 | 107.9° | 107.0° |
| C14 | C13 | C01 | 121.4° | 120.0° |
| C13 | C14 | C22 | 129.5° | 126.5° |
| C13 | C01 | C06 | 120.0° | 119.9° |
| C13 | C01 | C02 | 116.6° | 119.9° |
| C24 | N20 | N21 | 124.3° | 125.7° |
| N20 | C24 | H1 | 109.5° | 109.5° |
| N20 | C24 | H2 | 109.4° | 109.5° |
| N20 | C24 | H3 | 109.4° | 109.4° |
| N20 | N21 | C22 | 108.3° | 109.2° |
| C14 | C22 | N21 | 107.6° | 108.1° |
| C14 | C22 | C25 | 129.5° | 125.9° |
| O17 | C16 | C11 | 105.9° | 109.5° |
| O17 | C16 | H11 | 110.4° | 109.5° |
| O17 | C16 | H12 | 110.3° | 109.5° |
| C01 | C06 | C05 | 117.9° | 119.3° |
| C06 | C01 | C02 | 123.3° | 120.2° |
| C06 | C05 | C10 | 122.2° | 121.9° |
| C06 | C05 | C04 | 118.2° | 120.2° |
| O12 | C10 | C05 | 120.6° | 121.3° |
| O12 | C10 | N09 | 119.9° | 121.3° |
| C01 | C02 | C03 | 118.6° | 120.8° |
| C01 | C02 | H6 | 120.7° | 119.6° |
| C16 | C11 | N09 | 112.6° | 109.5° |
| C16 | C11 | H8 | 108.7° | 109.4° |
| C16 | C11 | H9 | 108.7° | 109.5° |
| C11 | C16 | H11 | 110.3° | 109.5° |
| C11 | C16 | H12 | 110.4° | 109.4° |
| C05 | C10 | N09 | 119.5° | 117.4° |
| C10 | C05 | C04 | 119.6° | 118.0° |
| C10 | N09 | C11 | 121.3° | 119.7° |
| C10 | N09 | C08 | 118.8° | 120.6° |
| C05 | C04 | C03 | 124.3° | 119.5° |
| C05 | C04 | N07 | 120.9° | 119.0° |
| N21 | C22 | C25 | 122.9° | 125.9° |
| C22 | C25 | H16 | 109.5° | 109.5° |
| C22 | C25 | H17 | 109.5° | 109.4° |
| C22 | C25 | H18 | 109.5° | 109.5° |
| C02 | C03 | C04 | 117.7° | 120.0° |
| C03 | C02 | H6 | 120.7° | 119.6° |
| C02 | C03 | H7 | 121.1° | 120.0° |
| C11 | N09 | C08 | 120.0° | 119.7° |
| N09 | C11 | H8 | 108.7° | 109.5° |
| N09 | C11 | H9 | 108.7° | 109.5° |
| N09 | C08 | N07 | 121.4° | 123.4° |
| N09 | C08 | C28 | 124.4° | 118.3° |
| C03 | C04 | N07 | 114.8° | 121.5° |
| C04 | C03 | H7 | 121.2° | 120.0° |
| C04 | N07 | C08 | 119.9° | 121.7° |
| N07 | C08 | C28 | 114.3° | 118.3° |
| C08 | C28 | F31 | 106.8° | 109.5° |
| C08 | C28 | F29 | 111.9° | 109.5° |
| C08 | C28 | F30 | 107.6° | 109.5° |
| F31 | C28 | F29 | 112.3° | 109.4° |
| F31 | C28 | F30 | 108.3° | 109.5° |
| F29 | C28 | F30 | 109.8° | 109.4° |
| H1 | C24 | H2 | 109.5° | 109.5° |
| H1 | C24 | H3 | 109.5° | 109.5° |
| H2 | C24 | H3 | 109.5° | 109.4° |
| H4 | C26 | H5 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H13 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.4° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.4° |
| H19 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | O17 | H4 | 120.0° | 120.0° |
| C27 | C26 | O17 | H5 | 119.9° | 120.0° |
| C27 | C26 | O17 | C16 | 102.9° | 180.0° |
| C27 | C26 | H4 | H5 | 120.1° | 119.9° |
| C26 | C27 | H19 | H20 | 120.0° | 120.0° |
| C26 | C27 | H19 | H21 | 120.0° | 120.0° |
| C26 | C27 | H20 | H21 | 120.0° | 120.0° |
| O23 | C19 | N20 | C14 | 179.8° | 179.7° |
| O23 | C19 | C14 | C13 | 1.0° | 0.3° |
| O23 | C19 | N20 | C24 | 0.0° | 0.2° |
| O23 | C19 | N20 | N21 | 179.9° | 180.0° |
| O23 | C19 | C14 | C22 | 179.7° | 179.8° |
| O15 | C13 | C14 | C19 | 6.2° | 94.6° |
| O15 | C13 | C14 | C01 | 174.6° | 180.0° |
| O15 | C13 | C14 | C22 | 175.4° | 85.3° |
| O15 | C13 | C01 | C06 | 72.9° | 0.3° |
| O15 | C13 | C01 | C02 | 105.6° | 179.8° |
| C26 | O17 | C16 | C11 | 165.4° | 180.0° |
| O17 | C26 | H4 | H5 | 120.2° | 120.1° |
| C26 | O17 | C16 | H11 | 75.1° | 59.9° |
| C26 | O17 | C16 | H12 | 46.0° | 60.0° |
| O17 | C26 | C27 | H19 | 180.0° | 60.0° |
| O17 | C26 | C27 | H20 | 60.0° | 60.0° |
| O17 | C26 | C27 | H21 | 60.0° | 180.0° |
| C18 | C06 | C01 | C13 | 1.5° | 0.0° |
| C18 | C06 | C01 | C05 | 179.3° | 180.0° |
| C18 | C06 | C01 | C02 | 179.9° | 180.0° |
| C18 | C06 | C05 | C10 | 0.7° | 0.0° |
| C18 | C06 | C05 | C04 | 180.0° | 180.0° |
| C06 | C18 | H13 | H14 | 120.0° | 120.0° |
| C06 | C18 | H13 | H15 | 120.0° | 120.0° |
| C06 | C18 | H14 | H15 | 120.0° | 120.0° |
| N20 | C19 | C14 | C13 | 178.8° | 180.0° |
| C19 | N20 | C24 | N21 | 179.9° | 179.8° |
| N20 | C19 | C14 | C22 | 0.0° | 0.0° |
| C19 | N20 | N21 | C22 | 0.3° | 0.4° |
| C19 | N20 | C24 | H1 | 179.9° | 90.0° |
| C19 | N20 | C24 | H2 | 60.1° | 150.0° |
| C19 | N20 | C24 | H3 | 59.9° | 30.0° |
| N20 | C19 | O23 | H10 | 178.9° | 94.9° |
| C19 | C14 | C13 | C22 | 178.4° | 179.9° |
| C19 | C14 | C13 | C01 | 168.4° | 85.4° |
| C14 | C19 | N20 | C24 | 179.8° | 180.0° |
| C14 | C19 | N20 | N21 | 0.1° | 0.2° |
| C19 | C14 | C22 | N21 | 0.2° | 0.2° |
| C19 | C14 | C22 | C25 | 179.5° | 180.0° |
| C14 | C19 | O23 | H10 | 1.4° | 84.8° |
| C14 | C13 | C01 | C06 | 112.1° | 179.7° |
| C14 | C13 | C01 | C02 | 69.4° | 0.2° |
| C13 | C14 | C22 | N21 | 178.8° | 179.8° |
| C13 | C14 | C22 | C25 | 1.9° | 0.0° |
| C01 | C13 | C14 | C22 | 10.0° | 94.7° |
| C13 | C01 | C06 | C02 | 178.4° | 179.9° |
| C13 | C01 | C06 | C05 | 179.3° | 180.0° |
| C13 | C01 | C02 | C03 | 179.1° | 180.0° |
| C13 | C01 | C02 | H6 | 0.9° | 0.1° |
| C24 | N20 | N21 | C22 | 179.7° | 179.8° |
| N20 | C24 | H1 | H2 | 120.0° | 120.0° |
| N20 | C24 | H1 | H3 | 120.0° | 120.0° |
| N20 | C24 | H2 | H3 | 120.0° | 119.9° |
| N20 | N21 | C22 | C14 | 0.3° | 0.3° |
| N20 | N21 | C22 | C25 | 179.6° | 179.9° |
| N21 | N20 | C24 | H1 | 0.0° | 89.8° |
| N21 | N20 | C24 | H2 | 120.0° | 30.3° |
| N21 | N20 | C24 | H3 | 120.0° | 150.2° |
| C14 | C22 | N21 | C25 | 179.4° | 179.8° |
| C14 | C22 | C25 | H16 | 179.2° | 90.0° |
| C14 | C22 | C25 | H17 | 60.8° | 150.0° |
| C14 | C22 | C25 | H18 | 59.2° | 30.0° |
| O17 | C16 | C11 | H11 | 119.4° | 120.1° |
| O17 | C16 | C11 | H12 | 119.4° | 120.0° |
| O17 | C16 | C11 | N09 | 96.1° | 65.8° |
| C16 | O17 | C26 | H4 | 17.0° | 60.0° |
| C16 | O17 | C26 | H5 | 137.1° | 60.0° |
| O17 | C16 | C11 | H8 | 143.5° | 54.2° |
| O17 | C16 | C11 | H9 | 24.4° | 174.2° |
| O17 | C16 | H11 | H12 | 121.6° | 120.0° |
| C01 | C06 | C05 | C10 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C06 | C01 | C02 | C03 | 0.7° | 0.1° |
| C06 | C01 | C02 | H6 | 179.4° | 180.0° |
| C01 | C06 | C18 | H13 | 89.7° | 83.7° |
| C01 | C06 | C18 | H14 | 150.4° | 156.3° |
| C01 | C06 | C18 | H15 | 30.4° | 36.4° |
| C06 | C05 | C10 | O12 | 0.8° | 0.3° |
| C05 | C06 | C01 | C02 | 0.9° | 0.0° |
| C06 | C05 | C10 | C04 | 179.3° | 180.0° |
| C06 | C05 | C10 | N09 | 179.5° | 180.0° |
| C06 | C05 | C04 | C03 | 0.5° | 0.1° |
| C06 | C05 | C04 | N07 | 180.0° | 180.0° |
| C05 | C06 | C18 | H13 | 89.5° | 96.3° |
| C05 | C06 | C18 | H14 | 30.4° | 23.7° |
| C05 | C06 | C18 | H15 | 150.4° | 143.7° |
| O12 | C10 | C05 | N09 | 179.7° | 179.8° |
| O12 | C10 | C05 | C04 | 179.9° | 179.7° |
| O12 | C10 | N09 | C11 | 0.4° | 0.2° |
| O12 | C10 | N09 | C08 | 179.2° | 179.8° |
| C01 | C02 | C03 | H6 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.1° |
| C01 | C02 | C03 | H7 | 179.7° | 180.0° |
| C16 | C11 | N09 | C10 | 54.6° | 83.2° |
| C16 | C11 | N09 | H8 | 120.5° | 119.9° |
| C16 | C11 | N09 | H9 | 120.5° | 120.1° |
| C16 | C11 | N09 | C08 | 126.6° | 96.7° |
| C16 | C11 | H8 | H9 | 118.5° | 120.0° |
| C11 | C16 | H11 | H12 | 121.6° | 119.9° |
| C05 | C10 | N09 | C11 | 179.3° | 180.0° |
| C05 | C10 | N09 | C08 | 0.5° | 0.0° |
| C10 | C05 | C04 | C03 | 179.8° | 179.9° |
| C10 | C05 | C04 | N07 | 0.7° | 0.0° |
| N09 | C10 | C05 | C04 | 0.2° | 0.0° |
| C10 | N09 | C11 | C08 | 178.8° | 180.0° |
| C10 | N09 | C08 | N07 | 0.8° | 0.0° |
| C10 | N09 | C08 | C28 | 179.3° | 180.0° |
| C10 | N09 | C11 | H8 | 175.1° | 36.7° |
| C10 | N09 | C11 | H9 | 65.9° | 156.7° |
| C05 | C04 | C03 | C02 | 0.3° | 0.1° |
| C05 | C04 | C03 | N07 | 179.6° | 179.9° |
| C05 | C04 | N07 | C08 | 0.4° | 0.0° |
| C05 | C04 | C03 | H7 | 179.7° | 180.0° |
| N21 | C22 | C25 | H16 | 0.0° | 90.3° |
| N21 | C22 | C25 | H17 | 120.0° | 29.7° |
| N21 | C22 | C25 | H18 | 120.0° | 149.7° |
| C22 | C25 | H16 | H17 | 120.0° | 120.0° |
| C22 | C25 | H16 | H18 | 120.0° | 120.0° |
| C22 | C25 | H17 | H18 | 120.0° | 120.0° |
| C02 | C03 | C04 | H7 | 180.0° | 179.9° |
| C02 | C03 | C04 | N07 | 179.8° | 180.0° |
| C11 | N09 | C08 | N07 | 179.6° | 180.0° |
| C11 | N09 | C08 | C28 | 1.9° | 0.0° |
| N09 | C11 | H8 | H9 | 118.6° | 120.0° |
| N09 | C11 | C16 | H11 | 23.4° | 174.2° |
| N09 | C11 | C16 | H12 | 144.5° | 54.2° |
| N09 | C08 | N07 | C04 | 0.3° | 0.0° |
| N09 | C08 | N07 | C28 | 178.6° | 180.0° |
| N09 | C08 | C28 | F31 | 70.5° | 64.9° |
| N09 | C08 | C28 | F29 | 52.8° | 175.2° |
| N09 | C08 | C28 | F30 | 173.4° | 55.2° |
| C08 | N09 | C11 | H8 | 6.1° | 143.3° |
| C08 | N09 | C11 | H9 | 112.9° | 23.3° |
| C03 | C04 | N07 | C08 | 180.0° | 179.9° |
| C04 | C03 | C02 | H6 | 179.7° | 180.0° |
| C04 | N07 | C08 | C28 | 179.0° | 180.0° |
| N07 | C04 | C03 | H7 | 0.2° | 0.1° |
| N07 | C08 | C28 | F31 | 108.1° | 115.2° |
| N07 | C08 | C28 | F29 | 128.6° | 4.8° |
| N07 | C08 | C28 | F30 | 8.0° | 124.7° |
| C08 | C28 | F31 | F29 | 123.0° | 120.0° |
| C08 | C28 | F31 | F30 | 115.6° | 120.1° |
| C08 | C28 | F29 | F30 | 119.3° | 120.0° |
| F31 | C28 | F29 | F30 | 120.6° | 120.0° |
| H1 | C24 | H2 | H3 | 120.0° | 120.0° |
| H4 | C26 | C27 | H19 | 60.1° | 180.0° |
| H4 | C26 | C27 | H20 | 60.0° | 60.0° |
| H4 | C26 | C27 | H21 | 179.9° | 60.0° |
| H5 | C26 | C27 | H19 | 60.0° | 60.1° |
| H5 | C26 | C27 | H20 | 180.0° | 180.0° |
| H5 | C26 | C27 | H21 | 60.0° | 59.9° |
| H6 | C02 | C03 | H7 | 0.3° | 0.0° |
| H8 | C11 | C16 | H11 | 97.1° | 65.9° |
| H8 | C11 | C16 | H12 | 24.0° | 174.2° |
| H9 | C11 | C16 | H11 | 143.9° | 54.1° |
| H9 | C11 | C16 | H12 | 95.0° | 65.8° |
| H13 | C18 | H14 | H15 | 120.0° | 120.1° |
| H16 | C25 | H17 | H18 | 120.0° | 120.0° |
| H19 | C27 | H20 | H21 | 120.0° | 120.0° |
