WIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F30 | C27 | sing | 1.35Å | 1.38Å | |
| O21 | C17 | sing | 1.35Å | 1.40Å | |
| C26 | C27 | doub | 1.38Å | 1.53Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.53Å | Aromatic |
| O04 | C02 | doub | 1.22Å | 1.19Å | |
| C27 | C28 | sing | 1.39Å | 1.53Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C17 | N18 | sing | 1.35Å | 1.33Å | Aromatic |
| C17 | C01 | doub | 1.39Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.54Å | Aromatic |
| C02 | C01 | sing | 1.47Å | 1.53Å | |
| C02 | C03 | sing | 1.48Å | 1.53Å | |
| C22 | N18 | sing | 1.46Å | 1.44Å | |
| N18 | N19 | sing | 1.40Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.53Å | Aromatic |
| C01 | C20 | sing | 1.42Å | 1.38Å | Aromatic |
| C09 | C03 | doub | 1.39Å | 1.52Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.57Å | Aromatic |
| O16 | C14 | doub | 1.22Å | 1.18Å | |
| C03 | C05 | sing | 1.40Å | 1.51Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.53Å | Aromatic |
| C24 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C08 | sing | 1.47Å | 1.51Å | |
| C14 | N13 | sing | 1.35Å | 1.47Å | |
| C08 | C07 | doub | 1.41Å | 1.47Å | Aromatic |
| N19 | C20 | doub | 1.30Å | 1.32Å | Aromatic |
| C20 | C23 | sing | 1.51Å | 1.52Å | |
| C05 | C06 | doub | 1.36Å | 1.52Å | Aromatic |
| C15 | N13 | sing | 1.46Å | 1.47Å | |
| N13 | N12 | sing | 1.40Å | 1.49Å | |
| C07 | C06 | sing | 1.40Å | 1.56Å | Aromatic |
| C07 | N11 | sing | 1.36Å | 1.47Å | |
| N12 | N11 | doub | 1.28Å | 1.47Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| O21 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F30 | C27 | C26 | 120.4° | 120.1° |
| F30 | C27 | C28 | 120.9° | 120.0° |
| O21 | C17 | N18 | 125.5° | 126.4° |
| O21 | C17 | C01 | 126.5° | 126.5° |
| C17 | O21 | H11 | 109.5° | 114.0° |
| C27 | C26 | C25 | 120.8° | 120.0° |
| C26 | C27 | C28 | 118.7° | 119.9° |
| C27 | C26 | H9 | 119.6° | 120.0° |
| C26 | C25 | C24 | 120.8° | 120.0° |
| C25 | C26 | H9 | 119.6° | 120.0° |
| C26 | C25 | H17 | 119.6° | 120.1° |
| O04 | C02 | C01 | 119.7° | 120.0° |
| O04 | C02 | C03 | 117.1° | 120.0° |
| C27 | C28 | C29 | 120.8° | 120.0° |
| C27 | C28 | H10 | 119.6° | 120.0° |
| C10 | C09 | C03 | 116.6° | 120.3° |
| C10 | C09 | C08 | 123.8° | 120.3° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.4° | 109.4° |
| N18 | C17 | C01 | 108.0° | 107.1° |
| C17 | N18 | C22 | 126.6° | 125.7° |
| C17 | N18 | N19 | 108.5° | 108.5° |
| C17 | C01 | C02 | 123.4° | 126.5° |
| C17 | C01 | C20 | 107.2° | 107.0° |
| C25 | C24 | C29 | 118.1° | 120.0° |
| C25 | C24 | C15 | 121.4° | 120.0° |
| C24 | C25 | H17 | 119.6° | 119.9° |
| C01 | C02 | C03 | 123.1° | 120.0° |
| C02 | C01 | C20 | 129.4° | 126.5° |
| C02 | C03 | C09 | 120.4° | 119.9° |
| C02 | C03 | C05 | 118.6° | 119.9° |
| C22 | N18 | N19 | 124.9° | 125.7° |
| N18 | C22 | H6 | 109.5° | 109.5° |
| N18 | C22 | H7 | 109.5° | 109.5° |
| N18 | C22 | H8 | 109.5° | 109.5° |
| N18 | N19 | C20 | 108.1° | 109.2° |
| C28 | C29 | C24 | 120.7° | 120.0° |
| C29 | C28 | H10 | 119.6° | 120.0° |
| C28 | C29 | H18 | 119.7° | 120.0° |
| C01 | C20 | N19 | 108.2° | 108.1° |
| C01 | C20 | C23 | 129.2° | 125.9° |
| C03 | C09 | C08 | 119.6° | 119.3° |
| C09 | C03 | C05 | 121.0° | 120.2° |
| C09 | C08 | C14 | 122.0° | 121.6° |
| C09 | C08 | C07 | 119.1° | 120.1° |
| O16 | C14 | C08 | 119.4° | 121.3° |
| O16 | C14 | N13 | 119.4° | 121.3° |
| C03 | C05 | C06 | 119.7° | 120.8° |
| C03 | C05 | H12 | 120.2° | 119.6° |
| C29 | C24 | C15 | 120.4° | 120.0° |
| C24 | C29 | H18 | 119.6° | 120.0° |
| C24 | C15 | N13 | 119.2° | 109.5° |
| C24 | C15 | H4 | 107.0° | 109.4° |
| C24 | C15 | H5 | 107.0° | 109.5° |
| C08 | C14 | N13 | 121.1° | 117.4° |
| C14 | C08 | C07 | 118.8° | 118.2° |
| C14 | N13 | C15 | 124.9° | 120.0° |
| C14 | N13 | N12 | 118.0° | 120.1° |
| C08 | C07 | C06 | 121.2° | 119.5° |
| C08 | C07 | N11 | 120.5° | 119.3° |
| N19 | C20 | C23 | 122.7° | 126.0° |
| C20 | C23 | H14 | 109.5° | 109.5° |
| C20 | C23 | H15 | 109.4° | 109.5° |
| C20 | C23 | H16 | 109.5° | 109.6° |
| C05 | C06 | C07 | 119.4° | 120.0° |
| C06 | C05 | H12 | 120.1° | 119.6° |
| C05 | C06 | H13 | 120.3° | 119.9° |
| C15 | N13 | N12 | 117.1° | 119.9° |
| N13 | C15 | H4 | 107.0° | 109.5° |
| N13 | C15 | H5 | 107.0° | 109.5° |
| N13 | N12 | N11 | 121.6° | 122.9° |
| C06 | C07 | N11 | 118.3° | 121.2° |
| C07 | C06 | H13 | 120.3° | 120.0° |
| C07 | N11 | N12 | 120.0° | 122.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.4° | 109.5° |
| H6 | C22 | H8 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H14 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F30 | C27 | C26 | C28 | 179.7° | 179.7° |
| F30 | C27 | C26 | C25 | 179.3° | 179.9° |
| F30 | C27 | C28 | C29 | 179.7° | 179.8° |
| F30 | C27 | C26 | H9 | 0.7° | 0.3° |
| F30 | C27 | C28 | H10 | 0.3° | 0.3° |
| O21 | C17 | N18 | C01 | 180.0° | 179.7° |
| O21 | C17 | C01 | C02 | 1.2° | 0.3° |
| O21 | C17 | N18 | C22 | 0.0° | 0.3° |
| O21 | C17 | N18 | N19 | 179.8° | 179.7° |
| O21 | C17 | C01 | C20 | 179.9° | 179.7° |
| C27 | C26 | C25 | H9 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 1.5° | 0.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.5° |
| C26 | C27 | C28 | H10 | 179.5° | 180.0° |
| C27 | C26 | C25 | H17 | 178.5° | 180.0° |
| C25 | C26 | C27 | C28 | 1.0° | 0.3° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 1.4° | 0.0° |
| C26 | C25 | C24 | C15 | 179.6° | 179.7° |
| O04 | C02 | C01 | C17 | 5.1° | 85.2° |
| O04 | C02 | C01 | C03 | 175.3° | 179.9° |
| O04 | C02 | C01 | C20 | 176.5° | 94.8° |
| O04 | C02 | C03 | C09 | 73.8° | 6.1° |
| O04 | C02 | C03 | C05 | 104.9° | 173.9° |
| C27 | C28 | C29 | H10 | 180.0° | 179.4° |
| C27 | C28 | C29 | C24 | 0.6° | 0.5° |
| C28 | C27 | C26 | H9 | 179.0° | 180.0° |
| C27 | C28 | C29 | H18 | 179.4° | 179.5° |
| C10 | C09 | C03 | C02 | 1.1° | 0.0° |
| C10 | C09 | C03 | C08 | 179.9° | 180.0° |
| C10 | C09 | C03 | C05 | 179.8° | 180.0° |
| C10 | C09 | C08 | C14 | 0.1° | 0.0° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 119.9° |
| N18 | C17 | C01 | C02 | 178.7° | 180.0° |
| C17 | N18 | C22 | N19 | 179.7° | 180.0° |
| N18 | C17 | C01 | C20 | 0.1° | 0.0° |
| C17 | N18 | N19 | C20 | 0.5° | 0.0° |
| C17 | N18 | C22 | H6 | 179.7° | 90.0° |
| C17 | N18 | C22 | H7 | 59.8° | 150.0° |
| C17 | N18 | C22 | H8 | 60.2° | 30.0° |
| N18 | C17 | O21 | H11 | 179.1° | 95.0° |
| C17 | C01 | C02 | C20 | 178.3° | 180.0° |
| C17 | C01 | C02 | C03 | 170.1° | 94.9° |
| C01 | C17 | N18 | C22 | 180.0° | 180.0° |
| C01 | C17 | N18 | N19 | 0.2° | 0.0° |
| C17 | C01 | C20 | N19 | 0.4° | 0.0° |
| C17 | C01 | C20 | C23 | 179.8° | 180.0° |
| C01 | C17 | O21 | H11 | 0.9° | 84.7° |
| C25 | C24 | C29 | C28 | 1.0° | 0.3° |
| C25 | C24 | C29 | C15 | 178.9° | 179.7° |
| C25 | C24 | C15 | N13 | 64.0° | 89.7° |
| C25 | C24 | C15 | H4 | 57.4° | 30.3° |
| C25 | C24 | C15 | H5 | 174.6° | 150.3° |
| C24 | C25 | C26 | H9 | 178.5° | 179.8° |
| C25 | C24 | C29 | H18 | 179.0° | 179.8° |
| C01 | C02 | C03 | C09 | 110.8° | 173.9° |
| C01 | C02 | C03 | C05 | 70.5° | 6.2° |
| C02 | C01 | C20 | N19 | 178.9° | 180.0° |
| C02 | C01 | C20 | C23 | 1.7° | 0.0° |
| C03 | C02 | C01 | C20 | 8.2° | 85.1° |
| C02 | C03 | C09 | C05 | 178.7° | 180.0° |
| C02 | C03 | C09 | C08 | 178.9° | 180.0° |
| C02 | C03 | C05 | C06 | 178.8° | 180.0° |
| C02 | C03 | C05 | H12 | 1.2° | 0.0° |
| C22 | N18 | N19 | C20 | 179.7° | 180.0° |
| N18 | C22 | H6 | H7 | 120.0° | 120.0° |
| N18 | C22 | H6 | H8 | 120.0° | 120.0° |
| N18 | C22 | H7 | H8 | 120.0° | 120.0° |
| N18 | N19 | C20 | C01 | 0.5° | 0.1° |
| N18 | N19 | C20 | C23 | 180.0° | 180.0° |
| N19 | N18 | C22 | H6 | 0.0° | 90.0° |
| N19 | N18 | C22 | H7 | 120.0° | 30.0° |
| N19 | N18 | C22 | H8 | 120.0° | 150.0° |
| C28 | C29 | C24 | H18 | 180.0° | 180.0° |
| C28 | C29 | C24 | C15 | 179.9° | 179.9° |
| C01 | C20 | N19 | C23 | 179.4° | 180.0° |
| C01 | C20 | C23 | H14 | 179.3° | 90.0° |
| C01 | C20 | C23 | H15 | 60.7° | 150.0° |
| C01 | C20 | C23 | H16 | 59.3° | 30.1° |
| C03 | C09 | C08 | C14 | 179.8° | 180.0° |
| C03 | C09 | C08 | C07 | 0.0° | 0.0° |
| C09 | C03 | C05 | C06 | 0.1° | 0.0° |
| C03 | C09 | C10 | H1 | 90.1° | 87.1° |
| C03 | C09 | C10 | H2 | 150.0° | 152.9° |
| C03 | C09 | C10 | H3 | 30.0° | 32.9° |
| C09 | C03 | C05 | H12 | 179.9° | 180.0° |
| C09 | C08 | C14 | O16 | 0.6° | 0.0° |
| C08 | C09 | C03 | C05 | 0.2° | 0.0° |
| C09 | C08 | C14 | C07 | 179.7° | 180.0° |
| C09 | C08 | C14 | N13 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 0.2° | 0.0° |
| C09 | C08 | C07 | N11 | 179.9° | 180.0° |
| C08 | C09 | C10 | H1 | 90.0° | 92.9° |
| C08 | C09 | C10 | H2 | 29.9° | 27.1° |
| C08 | C09 | C10 | H3 | 149.9° | 147.1° |
| O16 | C14 | C08 | N13 | 179.3° | 179.9° |
| O16 | C14 | C08 | C07 | 179.7° | 180.0° |
| O16 | C14 | N13 | C15 | 0.1° | 0.0° |
| O16 | C14 | N13 | N12 | 179.5° | 180.0° |
| C03 | C05 | C06 | H12 | 180.0° | 180.0° |
| C03 | C05 | C06 | C07 | 0.2° | 0.0° |
| C03 | C05 | C06 | H13 | 179.8° | 180.0° |
| C29 | C24 | C15 | N13 | 117.1° | 90.0° |
| C29 | C24 | C15 | H4 | 121.5° | 150.0° |
| C29 | C24 | C15 | H5 | 4.3° | 30.1° |
| C24 | C29 | C28 | H10 | 179.5° | 180.0° |
| C29 | C24 | C25 | H17 | 178.6° | 180.0° |
| C24 | C15 | N13 | C14 | 7.4° | 90.0° |
| C24 | C15 | N13 | H4 | 121.4° | 120.0° |
| C24 | C15 | N13 | H5 | 121.4° | 120.0° |
| C24 | C15 | N13 | N12 | 173.1° | 90.0° |
| C24 | C15 | H4 | H5 | 115.6° | 120.0° |
| C15 | C24 | C25 | H17 | 0.3° | 0.3° |
| C15 | C24 | C29 | H18 | 0.1° | 0.1° |
| C08 | C14 | N13 | C15 | 179.4° | 180.0° |
| C08 | C14 | N13 | N12 | 0.2° | 0.1° |
| C14 | C08 | C07 | C06 | 179.6° | 180.0° |
| C14 | C08 | C07 | N11 | 0.4° | 0.0° |
| N13 | C14 | C08 | C07 | 0.4° | 0.0° |
| C14 | N13 | C15 | N12 | 179.6° | 180.0° |
| C14 | N13 | N12 | N11 | 0.0° | 0.0° |
| C14 | N13 | C15 | H4 | 128.8° | 30.0° |
| C14 | N13 | C15 | H5 | 114.0° | 150.0° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C08 | C07 | C06 | N11 | 179.9° | 180.0° |
| C08 | C07 | N11 | N12 | 0.2° | 0.0° |
| C08 | C07 | C06 | H13 | 179.7° | 180.0° |
| N19 | C20 | C23 | H14 | 0.0° | 90.0° |
| N19 | C20 | C23 | H15 | 120.0° | 30.0° |
| N19 | C20 | C23 | H16 | 120.0° | 150.0° |
| C20 | C23 | H14 | H15 | 120.0° | 120.0° |
| C20 | C23 | H14 | H16 | 120.0° | 120.1° |
| C20 | C23 | H15 | H16 | 120.0° | 120.1° |
| C05 | C06 | C07 | H13 | 180.0° | 180.0° |
| C05 | C06 | C07 | N11 | 179.8° | 180.0° |
| C15 | N13 | N12 | N11 | 179.6° | 180.0° |
| N13 | C15 | H4 | H5 | 115.6° | 120.0° |
| N13 | N12 | N11 | C07 | 0.0° | 0.0° |
| N12 | N13 | C15 | H4 | 51.7° | 150.0° |
| N12 | N13 | C15 | H5 | 65.6° | 30.0° |
| C06 | C07 | N11 | N12 | 179.8° | 180.0° |
| C07 | C06 | C05 | H12 | 179.8° | 180.0° |
| N11 | C07 | C06 | H13 | 0.2° | 0.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H9 | C26 | C25 | H17 | 1.4° | 0.2° |
| H10 | C28 | C29 | H18 | 0.5° | 0.1° |
| H12 | C05 | C06 | H13 | 0.2° | 0.0° |
| H14 | C23 | H15 | H16 | 120.0° | 119.9° |
