WEE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL14 | C2 | sing | 1.74Å | 1.75Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| O24 | C23 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C21 | sing | 1.53Å | 1.55Å | |
| N22 | C21 | sing | 1.47Å | 1.49Å | |
| C4 | F25 | sing | 1.35Å | 1.32Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| N6 | C5 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | O7 | sing | 1.36Å | 1.37Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| O7 | C8 | sing | 1.36Å | 1.39Å | |
| C20 | N18 | sing | 1.46Å | 1.45Å | |
| N19 | N18 | sing | 1.29Å | 1.35Å | Aromatic |
| N19 | C15 | doub | 1.32Å | 1.28Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| N18 | N17 | sing | 1.29Å | 1.35Å | Aromatic |
| C11 | C15 | sing | 1.48Å | 1.50Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.34Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| N17 | N16 | doub | 1.29Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| N22 | H12 | sing | 1.01Å | 1.00Å | |
| N22 | H13 | sing | 1.01Å | 1.00Å | |
| O24 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL14 | C2 | C3 | 122.5° | 120.4° |
| CL14 | C2 | C1 | 118.6° | 120.4° |
| C3 | C2 | C1 | 118.7° | 119.3° |
| C2 | C3 | C4 | 117.9° | 118.5° |
| C2 | C3 | H2 | 121.0° | 120.8° |
| C2 | C1 | N6 | 122.3° | 120.9° |
| C2 | C1 | H1 | 118.8° | 119.6° |
| O24 | C23 | C21 | 102.3° | 109.5° |
| O24 | C23 | H8 | 111.3° | 109.5° |
| O24 | C23 | H9 | 111.3° | 109.4° |
| C23 | O24 | H15 | 109.5° | 114.0° |
| C3 | C4 | F25 | 122.9° | 120.5° |
| C3 | C4 | C5 | 120.6° | 119.1° |
| C4 | C3 | H2 | 121.1° | 120.7° |
| C1 | N6 | C5 | 119.8° | 121.6° |
| N6 | C1 | H1 | 118.8° | 119.6° |
| C23 | C21 | N22 | 109.9° | 109.5° |
| C23 | C21 | C20 | 110.2° | 109.5° |
| C23 | C21 | H7 | 107.9° | 109.5° |
| C21 | C23 | H8 | 111.2° | 109.5° |
| C21 | C23 | H9 | 111.2° | 109.5° |
| N22 | C21 | C20 | 112.2° | 109.5° |
| N22 | C21 | H7 | 108.6° | 109.5° |
| C21 | N22 | H12 | 109.5° | 111.0° |
| C21 | N22 | H13 | 109.5° | 111.0° |
| F25 | C4 | C5 | 116.4° | 120.4° |
| C4 | C5 | N6 | 120.4° | 120.6° |
| C4 | C5 | O7 | 117.9° | 119.7° |
| C21 | C20 | N18 | 111.1° | 109.5° |
| C21 | C20 | H5 | 109.0° | 109.5° |
| C21 | C20 | H6 | 109.1° | 109.5° |
| C20 | C21 | H7 | 108.0° | 109.4° |
| N6 | C5 | O7 | 121.4° | 119.6° |
| C5 | O7 | C8 | 116.8° | 118.1° |
| C12 | C13 | C8 | 119.1° | 120.1° |
| C13 | C12 | C11 | 119.6° | 119.9° |
| C13 | C12 | H3 | 120.2° | 120.1° |
| C12 | C13 | H4 | 120.5° | 119.9° |
| C13 | C8 | O7 | 118.8° | 120.0° |
| C13 | C8 | C9 | 121.5° | 120.1° |
| C8 | C13 | H4 | 120.5° | 120.0° |
| C12 | C11 | C15 | 117.1° | 120.0° |
| C12 | C11 | C10 | 121.6° | 119.9° |
| C11 | C12 | H3 | 120.2° | 120.0° |
| O7 | C8 | C9 | 119.7° | 120.0° |
| C20 | N18 | N19 | 126.2° | 125.3° |
| C20 | N18 | N17 | 124.0° | 125.3° |
| N18 | C20 | H5 | 109.1° | 109.5° |
| N18 | C20 | H6 | 109.0° | 109.5° |
| N18 | N19 | C15 | 106.1° | 107.8° |
| N19 | N18 | N17 | 109.4° | 109.4° |
| N19 | C15 | C11 | 124.1° | 126.7° |
| N19 | C15 | N16 | 112.5° | 106.7° |
| C8 | C9 | C10 | 119.0° | 120.1° |
| C8 | C9 | H10 | 120.5° | 119.9° |
| N18 | N17 | N16 | 109.7° | 108.9° |
| C15 | C11 | C10 | 121.3° | 120.1° |
| C11 | C15 | N16 | 123.3° | 126.6° |
| C11 | C10 | C9 | 118.9° | 119.9° |
| C11 | C10 | H11 | 120.6° | 120.0° |
| C15 | N16 | N17 | 102.1° | 107.2° |
| C10 | C9 | H10 | 120.5° | 120.0° |
| C9 | C10 | H11 | 120.6° | 120.1° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H12 | N22 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL14 | C2 | C3 | C1 | 176.1° | 180.0° |
| CL14 | C2 | C3 | C4 | 178.5° | 179.9° |
| CL14 | C2 | C1 | N6 | 177.8° | 179.9° |
| CL14 | C2 | C1 | H1 | 2.1° | 0.3° |
| CL14 | C2 | C3 | H2 | 1.5° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | N6 | 1.6° | 0.1° |
| C2 | C3 | C4 | F25 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 4.2° | 0.0° |
| C3 | C2 | C1 | H1 | 178.4° | 179.7° |
| C1 | C2 | C3 | C4 | 2.4° | 0.1° |
| C2 | C1 | N6 | H1 | 180.0° | 179.8° |
| C2 | C1 | N6 | C5 | 2.4° | 0.0° |
| C1 | C2 | C3 | H2 | 177.6° | 180.0° |
| O24 | C23 | C21 | H8 | 118.8° | 120.0° |
| O24 | C23 | C21 | H9 | 118.9° | 120.0° |
| O24 | C23 | C21 | N22 | 86.3° | 65.0° |
| O24 | C23 | C21 | C20 | 149.6° | 175.0° |
| O24 | C23 | C21 | H7 | 32.0° | 55.0° |
| O24 | C23 | H8 | H9 | 123.4° | 119.9° |
| C3 | C4 | F25 | C5 | 177.3° | 180.0° |
| C3 | C4 | C5 | N6 | 5.1° | 0.0° |
| C3 | C4 | C5 | O7 | 178.8° | 180.0° |
| C1 | N6 | C5 | C4 | 4.2° | 0.0° |
| C1 | N6 | C5 | O7 | 177.6° | 180.0° |
| C23 | C21 | N22 | C20 | 122.9° | 120.0° |
| C23 | C21 | N22 | H7 | 117.8° | 120.0° |
| C23 | C21 | C20 | H7 | 117.6° | 120.0° |
| C23 | C21 | C20 | N18 | 170.8° | 175.0° |
| C23 | C21 | C20 | H5 | 50.5° | 55.0° |
| C23 | C21 | C20 | H6 | 69.0° | 65.0° |
| C21 | C23 | H8 | H9 | 123.3° | 120.0° |
| C23 | C21 | N22 | H12 | 180.0° | 176.0° |
| C23 | C21 | N22 | H13 | 60.0° | 60.0° |
| C21 | C23 | O24 | H15 | 180.0° | 180.0° |
| N22 | C21 | C20 | H7 | 119.6° | 120.0° |
| N22 | C21 | C20 | N18 | 66.4° | 65.0° |
| N22 | C21 | C20 | H5 | 173.3° | 175.0° |
| N22 | C21 | C20 | H6 | 53.8° | 55.1° |
| N22 | C21 | C23 | H8 | 154.9° | 55.0° |
| N22 | C21 | C23 | H9 | 32.6° | 175.0° |
| C21 | N22 | H12 | H13 | 120.0° | 124.0° |
| F25 | C4 | C5 | N6 | 177.5° | 180.0° |
| F25 | C4 | C5 | O7 | 3.8° | 0.0° |
| F25 | C4 | C3 | H2 | 1.4° | 0.0° |
| C4 | C5 | N6 | O7 | 173.5° | 180.0° |
| C4 | C5 | O7 | C8 | 121.0° | 175.2° |
| C5 | C4 | C3 | H2 | 175.8° | 180.0° |
| C21 | C20 | N18 | H5 | 120.2° | 120.0° |
| C21 | C20 | N18 | H6 | 120.2° | 120.0° |
| C21 | C20 | N18 | N19 | 17.9° | 89.7° |
| C21 | C20 | N18 | N17 | 153.7° | 90.0° |
| C21 | C20 | H5 | H6 | 119.2° | 120.0° |
| C20 | C21 | C23 | H8 | 30.7° | 65.0° |
| C20 | C21 | C23 | H9 | 91.5° | 55.0° |
| C20 | C21 | N22 | H12 | 57.1° | 63.9° |
| C20 | C21 | N22 | H13 | 62.9° | 60.0° |
| N6 | C5 | O7 | C8 | 65.4° | 4.8° |
| C5 | N6 | C1 | H1 | 177.6° | 179.8° |
| C5 | O7 | C8 | C13 | 34.3° | 76.8° |
| C5 | O7 | C8 | C9 | 147.7° | 103.1° |
| C12 | C13 | C8 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C12 | C13 | C8 | O7 | 179.4° | 180.0° |
| C12 | C13 | C8 | C9 | 2.6° | 0.1° |
| C13 | C12 | C11 | C15 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 1.7° | 0.2° |
| C8 | C13 | C12 | C11 | 2.8° | 0.0° |
| C13 | C8 | O7 | C9 | 178.0° | 179.9° |
| C13 | C8 | C9 | C10 | 2.0° | 0.3° |
| C8 | C13 | C12 | H3 | 177.3° | 179.9° |
| C13 | C8 | C9 | H10 | 178.0° | 180.0° |
| C12 | C11 | C15 | N19 | 31.6° | 0.6° |
| C12 | C11 | C15 | C10 | 178.1° | 179.8° |
| C12 | C11 | C15 | N16 | 150.0° | 179.8° |
| C12 | C11 | C10 | C9 | 6.3° | 0.5° |
| C11 | C12 | C13 | H4 | 177.2° | 180.0° |
| C12 | C11 | C10 | H11 | 173.7° | 179.7° |
| O7 | C8 | C9 | C10 | 175.9° | 179.8° |
| O7 | C8 | C13 | H4 | 0.6° | 0.1° |
| O7 | C8 | C9 | H10 | 4.1° | 0.1° |
| C20 | N18 | N19 | N17 | 172.6° | 179.7° |
| C20 | N18 | N19 | C15 | 176.0° | 179.9° |
| C20 | N18 | N17 | N16 | 177.2° | 180.0° |
| N18 | C20 | H5 | H6 | 119.2° | 120.0° |
| N18 | C20 | C21 | H7 | 53.2° | 55.0° |
| N18 | N19 | C15 | C11 | 177.4° | 179.9° |
| N18 | N19 | C15 | N16 | 1.2° | 0.4° |
| N19 | N18 | N17 | N16 | 4.3° | 0.3° |
| N19 | N18 | C20 | H5 | 102.3° | 150.3° |
| N19 | N18 | C20 | H6 | 138.1° | 30.4° |
| C15 | N19 | N18 | N17 | 3.3° | 0.4° |
| N19 | C15 | C11 | N16 | 178.5° | 179.6° |
| N19 | C15 | C11 | C10 | 150.3° | 179.7° |
| N19 | C15 | N16 | N17 | 1.3° | 0.3° |
| C8 | C9 | C10 | C11 | 6.3° | 0.5° |
| C8 | C9 | C10 | H10 | 180.0° | 179.7° |
| C9 | C8 | C13 | H4 | 177.3° | 180.0° |
| C8 | C9 | C10 | H11 | 173.7° | 179.7° |
| N18 | N17 | N16 | C15 | 3.3° | 0.0° |
| N17 | N18 | C20 | H5 | 86.0° | 30.0° |
| N17 | N18 | C20 | H6 | 33.5° | 150.0° |
| C15 | C11 | C10 | C9 | 175.6° | 179.7° |
| C11 | C15 | N16 | N17 | 180.0° | 179.9° |
| C15 | C11 | C12 | H3 | 0.1° | 0.1° |
| C15 | C11 | C10 | H11 | 4.4° | 0.0° |
| C10 | C11 | C15 | N16 | 28.2° | 0.1° |
| C11 | C10 | C9 | H11 | 180.0° | 179.8° |
| C10 | C11 | C12 | H3 | 178.3° | 179.7° |
| C11 | C10 | C9 | H10 | 173.7° | 179.8° |
| H3 | C12 | C13 | H4 | 2.8° | 0.0° |
| H5 | C20 | C21 | H7 | 67.1° | 65.0° |
| H6 | C20 | C21 | H7 | 173.4° | 175.0° |
| H7 | C21 | C23 | H8 | 86.9° | 175.0° |
| H7 | C21 | C23 | H9 | 150.8° | 65.0° |
| H7 | C21 | N22 | H12 | 62.2° | 56.0° |
| H7 | C21 | N22 | H13 | 177.8° | 180.0° |
| H8 | C23 | O24 | H15 | 61.2° | 59.9° |
| H9 | C23 | O24 | H15 | 61.2° | 60.0° |
| H10 | C9 | C10 | H11 | 6.3° | 0.0° |
