0U7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C21 | sing | 1.74Å | 1.76Å | |
| CL2 | C23 | sing | 1.74Å | 1.76Å | |
| C22 | C21 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.37Å | Aromatic |
| C24 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | C15 | sing | 1.48Å | 1.46Å | |
| C15 | N16 | doub | 1.31Å | 1.34Å | Aromatic |
| C15 | O14 | sing | 1.35Å | 1.36Å | Aromatic |
| N16 | N17 | sing | 1.29Å | 1.41Å | Aromatic |
| O14 | C13 | sing | 1.35Å | 1.37Å | Aromatic |
| N17 | C13 | doub | 1.31Å | 1.35Å | Aromatic |
| C13 | C11 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | S3 | sing | 1.76Å | 1.61Å | |
| S3 | O5 | doub | 1.42Å | 1.43Å | |
| S3 | O4 | doub | 1.42Å | 1.44Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| S3 | F1 | sing | 1.61Å | 1.59Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C21 | C22 | 118.1° | 119.9° |
| CL1 | C21 | C20 | 119.6° | 119.9° |
| CL2 | C23 | C22 | 118.0° | 119.9° |
| CL2 | C23 | C24 | 119.6° | 119.9° |
| C21 | C22 | C23 | 117.6° | 120.3° |
| C22 | C21 | C20 | 122.3° | 120.2° |
| C21 | C22 | H8 | 121.2° | 119.9° |
| C22 | C23 | C24 | 122.4° | 120.1° |
| C23 | C22 | H8 | 121.2° | 119.9° |
| C21 | C20 | C19 | 118.6° | 119.8° |
| C21 | C20 | H7 | 120.7° | 120.1° |
| C23 | C24 | C19 | 118.4° | 119.8° |
| C23 | C24 | H9 | 120.8° | 120.0° |
| C20 | C19 | C24 | 120.6° | 119.8° |
| C20 | C19 | C15 | 119.6° | 120.1° |
| C19 | C20 | H7 | 120.7° | 120.1° |
| C24 | C19 | C15 | 119.7° | 120.1° |
| C19 | C24 | H9 | 120.8° | 120.1° |
| C19 | C15 | N16 | 125.3° | 126.3° |
| C19 | C15 | O14 | 124.2° | 126.3° |
| N16 | C15 | O14 | 110.6° | 107.4° |
| C15 | N16 | N17 | 106.0° | 109.4° |
| C15 | O14 | C13 | 106.7° | 106.3° |
| N16 | N17 | C13 | 107.9° | 109.4° |
| O14 | C13 | N17 | 108.7° | 107.4° |
| O14 | C13 | C11 | 125.0° | 126.3° |
| N17 | C13 | C11 | 126.3° | 126.3° |
| C13 | C11 | C10 | 119.3° | 120.1° |
| C13 | C11 | C12 | 119.4° | 120.1° |
| C11 | C10 | C9 | 119.4° | 119.8° |
| C10 | C11 | C12 | 121.3° | 119.7° |
| C11 | C10 | H5 | 120.3° | 120.1° |
| C10 | C9 | C8 | 119.4° | 120.2° |
| C10 | C9 | H4 | 120.3° | 119.9° |
| C9 | C10 | H5 | 120.3° | 120.1° |
| C11 | C12 | C7 | 119.4° | 119.8° |
| C11 | C12 | H6 | 120.3° | 120.1° |
| C9 | C8 | C7 | 120.9° | 120.3° |
| C9 | C8 | H1 | 119.5° | 119.9° |
| C8 | C9 | H4 | 120.3° | 119.9° |
| C12 | C7 | C8 | 119.5° | 120.1° |
| C12 | C7 | S3 | 119.7° | 119.9° |
| C7 | C12 | H6 | 120.3° | 120.1° |
| C8 | C7 | S3 | 120.8° | 120.0° |
| C7 | C8 | H1 | 119.6° | 119.8° |
| C7 | S3 | O5 | 107.0° | 106.4° |
| C7 | S3 | O4 | 109.4° | 106.4° |
| C7 | S3 | F1 | 63.7° | 107.2° |
| O5 | S3 | O4 | 113.7° | 123.2° |
| O5 | S3 | F1 | 53.0° | 106.4° |
| O4 | S3 | F1 | 156.1° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C21 | C22 | C20 | 179.2° | 179.9° |
| CL1 | C21 | C22 | C23 | 179.8° | 180.0° |
| CL1 | C21 | C20 | C19 | 179.7° | 180.0° |
| CL1 | C21 | C20 | H7 | 0.3° | 0.1° |
| CL1 | C21 | C22 | H8 | 0.2° | 0.1° |
| CL2 | C23 | C22 | C21 | 178.9° | 180.0° |
| CL2 | C23 | C22 | C24 | 179.9° | 179.7° |
| CL2 | C23 | C24 | C19 | 178.4° | 179.7° |
| CL2 | C23 | C22 | H8 | 1.1° | 0.1° |
| CL2 | C23 | C24 | H9 | 1.6° | 0.2° |
| C21 | C22 | C23 | H8 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.2° | 0.3° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H7 | 179.5° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C22 | C23 | C24 | C19 | 1.7° | 0.5° |
| C22 | C23 | C24 | H9 | 178.3° | 180.0° |
| C21 | C20 | C19 | H7 | 180.0° | 179.9° |
| C21 | C20 | C19 | C24 | 1.0° | 0.3° |
| C21 | C20 | C19 | C15 | 179.2° | 180.0° |
| C20 | C21 | C22 | H8 | 179.4° | 180.0° |
| C23 | C24 | C19 | C20 | 1.6° | 0.5° |
| C23 | C24 | C19 | H9 | 180.0° | 179.5° |
| C23 | C24 | C19 | C15 | 179.8° | 179.8° |
| C24 | C23 | C22 | H8 | 178.8° | 179.8° |
| C20 | C19 | C24 | C15 | 178.2° | 179.7° |
| C20 | C19 | C15 | N16 | 21.8° | 0.0° |
| C20 | C19 | C15 | O14 | 157.1° | 179.7° |
| C20 | C19 | C24 | H9 | 178.4° | 180.0° |
| C24 | C19 | C15 | N16 | 159.9° | 179.7° |
| C24 | C19 | C15 | O14 | 21.1° | 0.0° |
| C24 | C19 | C20 | H7 | 179.0° | 179.8° |
| C19 | C15 | N16 | O14 | 179.1° | 179.8° |
| C19 | C15 | N16 | N17 | 179.6° | 180.0° |
| C19 | C15 | O14 | C13 | 179.0° | 179.7° |
| C15 | C19 | C20 | H7 | 0.8° | 0.1° |
| C15 | C19 | C24 | H9 | 0.2° | 0.2° |
| N16 | C15 | O14 | C13 | 0.1° | 0.0° |
| C15 | N16 | N17 | C13 | 1.0° | 0.3° |
| O14 | C15 | N16 | N17 | 0.6° | 0.2° |
| C15 | O14 | C13 | N17 | 0.7° | 0.2° |
| C15 | O14 | C13 | C11 | 179.0° | 180.0° |
| N16 | N17 | C13 | O14 | 1.0° | 0.4° |
| N16 | N17 | C13 | C11 | 178.6° | 179.9° |
| O14 | C13 | N17 | C11 | 179.7° | 179.8° |
| O14 | C13 | C11 | C10 | 28.0° | 0.1° |
| O14 | C13 | C11 | C12 | 154.1° | 179.7° |
| N17 | C13 | C11 | C10 | 151.6° | 179.7° |
| N17 | C13 | C11 | C12 | 26.3° | 0.5° |
| C13 | C11 | C10 | C12 | 177.8° | 179.8° |
| C13 | C11 | C10 | C9 | 178.4° | 180.0° |
| C13 | C11 | C12 | C7 | 179.9° | 179.7° |
| C13 | C11 | C10 | H5 | 1.6° | 0.2° |
| C13 | C11 | C12 | H6 | 0.1° | 0.2° |
| C11 | C10 | C9 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.7° | 0.0° |
| C10 | C11 | C12 | C7 | 2.3° | 0.5° |
| C11 | C10 | C9 | H4 | 179.4° | 179.9° |
| C10 | C11 | C12 | H6 | 177.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.2° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C10 | C9 | C8 | H1 | 179.8° | 180.0° |
| C11 | C12 | C7 | H6 | 180.0° | 179.5° |
| C11 | C12 | C7 | C8 | 2.7° | 0.6° |
| C11 | C12 | C7 | S3 | 179.5° | 179.8° |
| C12 | C11 | C10 | H5 | 179.4° | 180.0° |
| C9 | C8 | C7 | C12 | 1.4° | 0.3° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C9 | C8 | C7 | S3 | 179.3° | 180.0° |
| C8 | C9 | C10 | H5 | 179.3° | 179.7° |
| C12 | C7 | C8 | S3 | 177.8° | 179.7° |
| C12 | C7 | S3 | O5 | 70.3° | 89.7° |
| C12 | C7 | S3 | O4 | 166.1° | 137.4° |
| C12 | C7 | C8 | H1 | 178.6° | 179.7° |
| C12 | C7 | S3 | F1 | 38.8° | 23.9° |
| C8 | C7 | S3 | O5 | 107.5° | 90.0° |
| C8 | C7 | S3 | O4 | 16.1° | 43.0° |
| C7 | C8 | C9 | H4 | 179.8° | 180.0° |
| C8 | C7 | C12 | H6 | 177.4° | 180.0° |
| C8 | C7 | S3 | F1 | 139.0° | 156.5° |
| C7 | S3 | O5 | O4 | 120.9° | 123.0° |
| C7 | S3 | O5 | F1 | 35.8° | 114.1° |
| C7 | S3 | O4 | F1 | 68.5° | 114.1° |
| S3 | C7 | C8 | H1 | 0.7° | 0.0° |
| S3 | C7 | C12 | H6 | 0.5° | 0.3° |
| O5 | S3 | O4 | F1 | 51.1° | 122.9° |
| H1 | C8 | C9 | H4 | 0.2° | 0.0° |
| H4 | C9 | C10 | H5 | 0.6° | 0.3° |
