4QG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL21 | C20 | sing | 1.74Å | 1.73Å | |
| C20 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | O3 | sing | 1.35Å | 1.34Å | Aromatic |
| C8 | N4 | sing | 1.34Å | 1.34Å | Aromatic |
| O3 | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| N4 | C1 | doub | 1.31Å | 1.32Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.47Å | |
| C2 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C9 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.48Å | |
| O19 | C15 | doub | 1.22Å | 1.22Å | |
| C15 | N18 | sing | 1.35Å | 1.35Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| N18 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL21 | C20 | C16 | 119.9° | 119.8° |
| CL21 | C20 | C17 | 119.4° | 119.9° |
| C16 | C20 | C17 | 120.7° | 120.3° |
| C20 | C16 | C13 | 120.4° | 120.1° |
| C20 | C16 | H5 | 119.8° | 120.0° |
| C20 | C17 | C14 | 119.6° | 120.1° |
| C20 | C17 | H9 | 120.2° | 120.0° |
| C16 | C13 | C11 | 119.0° | 119.9° |
| C16 | C13 | H3 | 120.5° | 120.1° |
| C13 | C16 | H5 | 119.8° | 119.9° |
| C17 | C14 | C11 | 120.1° | 119.8° |
| C17 | C14 | H8 | 120.0° | 120.1° |
| C14 | C17 | H9 | 120.2° | 119.9° |
| C13 | C11 | C14 | 120.2° | 119.8° |
| C13 | C11 | C7 | 121.6° | 120.1° |
| C11 | C13 | H3 | 120.5° | 120.1° |
| C14 | C11 | C7 | 118.2° | 120.1° |
| C11 | C14 | H8 | 120.0° | 120.1° |
| C11 | C7 | C8 | 130.1° | 126.5° |
| C11 | C7 | O3 | 122.7° | 126.5° |
| C8 | C7 | O3 | 107.2° | 107.0° |
| C7 | C8 | N4 | 107.2° | 107.7° |
| C7 | C8 | H4 | 126.5° | 126.2° |
| C7 | O3 | C1 | 108.2° | 107.7° |
| C8 | N4 | C1 | 108.7° | 108.9° |
| N4 | C8 | H4 | 126.4° | 126.2° |
| O3 | C1 | N4 | 108.7° | 108.8° |
| O3 | C1 | C2 | 121.7° | 125.6° |
| N4 | C1 | C2 | 129.5° | 125.6° |
| C1 | C2 | C6 | 117.8° | 120.0° |
| C1 | C2 | C5 | 122.2° | 120.0° |
| C6 | C2 | C5 | 120.0° | 120.0° |
| C2 | C6 | C10 | 120.3° | 120.0° |
| C2 | C6 | H1 | 119.9° | 120.0° |
| C2 | C5 | C9 | 119.7° | 120.0° |
| C2 | C5 | H6 | 120.1° | 119.9° |
| C6 | C10 | C12 | 119.7° | 120.0° |
| C10 | C6 | H1 | 119.8° | 120.0° |
| C6 | C10 | H7 | 120.1° | 120.0° |
| C5 | C9 | C12 | 120.1° | 120.0° |
| C5 | C9 | H2 | 119.9° | 119.9° |
| C9 | C5 | H6 | 120.2° | 120.1° |
| C10 | C12 | C9 | 120.1° | 120.0° |
| C10 | C12 | C15 | 119.2° | 120.0° |
| C12 | C10 | H7 | 120.2° | 119.9° |
| C9 | C12 | C15 | 120.7° | 120.0° |
| C12 | C9 | H2 | 119.9° | 120.0° |
| C12 | C15 | O19 | 120.4° | 120.0° |
| C12 | C15 | N18 | 119.5° | 120.0° |
| O19 | C15 | N18 | 120.0° | 120.0° |
| C15 | N18 | H10 | 120.0° | 120.0° |
| C15 | N18 | H11 | 120.0° | 120.0° |
| H10 | N18 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL21 | C20 | C16 | C17 | 179.5° | 179.5° |
| CL21 | C20 | C16 | C13 | 179.4° | 180.0° |
| CL21 | C20 | C17 | C14 | 179.4° | 179.8° |
| CL21 | C20 | C16 | H5 | 0.6° | 0.0° |
| CL21 | C20 | C17 | H9 | 0.6° | 0.5° |
| C20 | C16 | C13 | H5 | 180.0° | 180.0° |
| C16 | C20 | C17 | C14 | 0.1° | 0.7° |
| C20 | C16 | C13 | C11 | 0.8° | 0.1° |
| C20 | C16 | C13 | H3 | 179.2° | 179.7° |
| C16 | C20 | C17 | H9 | 179.9° | 180.0° |
| C17 | C20 | C16 | C13 | 0.2° | 0.5° |
| C20 | C17 | C14 | H9 | 180.0° | 179.3° |
| C20 | C17 | C14 | C11 | 0.8° | 0.4° |
| C17 | C20 | C16 | H5 | 179.8° | 179.5° |
| C20 | C17 | C14 | H8 | 179.3° | 179.4° |
| C16 | C13 | C11 | H3 | 180.0° | 179.8° |
| C16 | C13 | C11 | C14 | 1.5° | 0.2° |
| C16 | C13 | C11 | C7 | 178.3° | 179.8° |
| C17 | C14 | C11 | C13 | 1.5° | 0.1° |
| C17 | C14 | C11 | H8 | 180.0° | 179.9° |
| C17 | C14 | C11 | C7 | 178.4° | 179.9° |
| C13 | C11 | C14 | C7 | 177.0° | 180.0° |
| C13 | C11 | C7 | C8 | 15.6° | 180.0° |
| C13 | C11 | C7 | O3 | 164.2° | 0.3° |
| C11 | C13 | C16 | H5 | 179.2° | 180.0° |
| C13 | C11 | C14 | H8 | 178.6° | 179.9° |
| C14 | C11 | C7 | C8 | 167.5° | 0.0° |
| C14 | C11 | C7 | O3 | 12.7° | 179.7° |
| C14 | C11 | C13 | H3 | 178.5° | 180.0° |
| C11 | C14 | C17 | H9 | 179.2° | 179.7° |
| C11 | C7 | C8 | O3 | 179.8° | 179.7° |
| C11 | C7 | C8 | N4 | 179.4° | 179.7° |
| C11 | C7 | O3 | C1 | 179.9° | 179.7° |
| C7 | C11 | C13 | H3 | 1.7° | 0.0° |
| C11 | C7 | C8 | H4 | 0.6° | 0.4° |
| C7 | C11 | C14 | H8 | 1.6° | 0.1° |
| C7 | C8 | N4 | H4 | 180.0° | 179.9° |
| C8 | C7 | O3 | C1 | 0.3° | 0.0° |
| C7 | C8 | N4 | C1 | 1.0° | 0.0° |
| O3 | C7 | C8 | N4 | 0.4° | 0.0° |
| C7 | O3 | C1 | N4 | 0.9° | 0.0° |
| C7 | O3 | C1 | C2 | 179.8° | 180.0° |
| O3 | C7 | C8 | H4 | 179.6° | 180.0° |
| C8 | N4 | C1 | O3 | 1.1° | 0.0° |
| C8 | N4 | C1 | C2 | 179.9° | 180.0° |
| O3 | C1 | N4 | C2 | 178.8° | 180.0° |
| O3 | C1 | C2 | C6 | 19.1° | 180.0° |
| O3 | C1 | C2 | C5 | 158.2° | 0.0° |
| N4 | C1 | C2 | C6 | 162.3° | 0.0° |
| N4 | C1 | C2 | C5 | 20.4° | 180.0° |
| C1 | N4 | C8 | H4 | 179.0° | 179.9° |
| C1 | C2 | C6 | C5 | 177.4° | 180.0° |
| C1 | C2 | C6 | C10 | 178.2° | 180.0° |
| C1 | C2 | C5 | C9 | 178.5° | 180.0° |
| C1 | C2 | C6 | H1 | 1.8° | 0.3° |
| C1 | C2 | C5 | H6 | 1.5° | 0.1° |
| C2 | C6 | C10 | H1 | 180.0° | 179.7° |
| C6 | C2 | C5 | C9 | 1.2° | 0.1° |
| C2 | C6 | C10 | C12 | 0.1° | 0.2° |
| C6 | C2 | C5 | H6 | 178.8° | 180.0° |
| C2 | C6 | C10 | H7 | 179.9° | 179.7° |
| C5 | C2 | C6 | C10 | 0.8° | 0.0° |
| C2 | C5 | C9 | H6 | 180.0° | 179.9° |
| C2 | C5 | C9 | C12 | 1.0° | 0.3° |
| C5 | C2 | C6 | H1 | 179.2° | 179.7° |
| C2 | C5 | C9 | H2 | 179.0° | 179.7° |
| C6 | C10 | C12 | H7 | 180.0° | 180.0° |
| C6 | C10 | C12 | C9 | 0.2° | 0.5° |
| C6 | C10 | C12 | C15 | 178.6° | 180.0° |
| C5 | C9 | C12 | C10 | 0.3° | 0.5° |
| C5 | C9 | C12 | H2 | 180.0° | 179.4° |
| C5 | C9 | C12 | C15 | 178.1° | 179.9° |
| C10 | C12 | C9 | C15 | 178.4° | 179.6° |
| C10 | C12 | C15 | O19 | 30.0° | 179.5° |
| C10 | C12 | C15 | N18 | 147.4° | 0.4° |
| C12 | C10 | C6 | H1 | 179.9° | 179.9° |
| C10 | C12 | C9 | H2 | 179.7° | 179.9° |
| C9 | C12 | C15 | O19 | 151.6° | 0.1° |
| C9 | C12 | C15 | N18 | 31.0° | 180.0° |
| C12 | C9 | C5 | H6 | 179.0° | 179.8° |
| C9 | C12 | C10 | H7 | 179.9° | 179.5° |
| C12 | C15 | O19 | N18 | 177.4° | 179.9° |
| C15 | C12 | C9 | H2 | 1.9° | 0.5° |
| C15 | C12 | C10 | H7 | 1.5° | 0.1° |
| C12 | C15 | N18 | H10 | 177.5° | 0.1° |
| C12 | C15 | N18 | H11 | 2.6° | 180.0° |
| O19 | C15 | N18 | H10 | 0.0° | 180.0° |
| O19 | C15 | N18 | H11 | 180.0° | 0.1° |
| C15 | N18 | H10 | H11 | 180.0° | 179.9° |
| H1 | C6 | C10 | H7 | 0.1° | 0.0° |
| H2 | C9 | C5 | H6 | 1.0° | 0.4° |
| H3 | C13 | C16 | H5 | 0.8° | 0.2° |
| H8 | C14 | C17 | H9 | 0.8° | 0.1° |
