7SU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C22 | sing | 1.74Å | 1.74Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | CL | sing | 1.74Å | 1.73Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | CL2 | sing | 1.74Å | 1.73Å | |
| N1 | C18 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | O2 | sing | 1.21Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.48Å | |
| C18 | C13 | sing | 1.48Å | 1.42Å | Aromatic |
| O2 | C14 | sing | 1.33Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | F | sing | 1.40Å | 1.39Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | O3 | doub | 1.22Å | 1.22Å | |
| C12 | N | sing | 1.35Å | 1.40Å | |
| N | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| N | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C9 | doub | 1.34Å | 1.35Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | sing | 1.46Å | 1.50Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | doub | 1.35Å | 1.32Å | |
| C1 | C | sing | 1.42Å | 1.49Å | |
| C | O1 | sing | 1.35Å | 1.31Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C22 | C21 | 119.1° | 119.9° |
| CL1 | C22 | C23 | 119.1° | 119.9° |
| C21 | C22 | C23 | 121.8° | 120.3° |
| C22 | C21 | C20 | 118.4° | 120.1° |
| C22 | C21 | H16 | 120.8° | 120.0° |
| C22 | C23 | C24 | 118.4° | 120.1° |
| C22 | C23 | H17 | 120.8° | 119.9° |
| C21 | C20 | CL | 118.5° | 120.1° |
| C21 | C20 | C19 | 122.2° | 119.8° |
| C20 | C21 | H16 | 120.8° | 119.9° |
| C23 | C24 | C19 | 121.9° | 119.8° |
| C23 | C24 | CL2 | 117.8° | 120.1° |
| C24 | C23 | H17 | 120.7° | 120.0° |
| CL | C20 | C19 | 119.3° | 120.1° |
| C20 | C19 | C24 | 117.2° | 119.8° |
| C20 | C19 | C18 | 120.7° | 120.1° |
| C19 | C24 | CL2 | 120.2° | 120.1° |
| C24 | C19 | C18 | 122.0° | 120.1° |
| C18 | N1 | O2 | 105.6° | 112.1° |
| N1 | C18 | C19 | 120.9° | 127.5° |
| N1 | C18 | C13 | 112.2° | 105.1° |
| N1 | O2 | C14 | 107.8° | 113.5° |
| C19 | C18 | C13 | 126.5° | 127.5° |
| C18 | C13 | C14 | 104.4° | 102.8° |
| C18 | C13 | C12 | 129.3° | 128.6° |
| O2 | C14 | C13 | 110.0° | 106.6° |
| O2 | C14 | C15 | 116.1° | 126.7° |
| C14 | C13 | C12 | 126.2° | 128.6° |
| C13 | C14 | C15 | 133.9° | 126.7° |
| C13 | C12 | O3 | 119.0° | 120.0° |
| C13 | C12 | N | 121.2° | 119.9° |
| C14 | C15 | C16 | 110.1° | 109.5° |
| C14 | C15 | F | 109.0° | 109.5° |
| C14 | C15 | C17 | 111.0° | 109.5° |
| C16 | C15 | F | 108.6° | 109.4° |
| C16 | C15 | C17 | 109.2° | 109.5° |
| C15 | C16 | H11 | 109.5° | 109.4° |
| C15 | C16 | H12 | 109.4° | 109.5° |
| C15 | C16 | H10 | 109.4° | 109.4° |
| F | C15 | C17 | 108.7° | 109.5° |
| C15 | C17 | H14 | 109.5° | 109.5° |
| C15 | C17 | H15 | 109.4° | 109.5° |
| C15 | C17 | H13 | 109.5° | 109.5° |
| O3 | C12 | N | 119.7° | 120.0° |
| C12 | N | C11 | 126.3° | 125.2° |
| C12 | N | C7 | 125.4° | 125.1° |
| C11 | N | C7 | 108.3° | 109.7° |
| N | C11 | C9 | 111.5° | 109.8° |
| N | C11 | H9 | 124.3° | 125.1° |
| N | C7 | C6 | 127.9° | 133.3° |
| N | C7 | C8 | 108.7° | 107.1° |
| C11 | C9 | C10 | 124.8° | 126.4° |
| C11 | C9 | C8 | 106.3° | 107.2° |
| C9 | C11 | H9 | 124.3° | 125.1° |
| C6 | C7 | C8 | 123.3° | 119.6° |
| C7 | C6 | C5 | 119.0° | 120.3° |
| C7 | C6 | H5 | 120.5° | 119.9° |
| C7 | C8 | C9 | 105.2° | 106.3° |
| C7 | C8 | C3 | 116.1° | 119.8° |
| C10 | C9 | C8 | 128.9° | 126.4° |
| C9 | C10 | H6 | 109.5° | 109.5° |
| C9 | C10 | H7 | 109.5° | 109.4° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| C9 | C8 | C3 | 138.6° | 133.9° |
| C6 | C5 | C4 | 120.1° | 120.8° |
| C6 | C5 | H4 | 119.9° | 119.6° |
| C5 | C6 | H5 | 120.5° | 119.8° |
| C8 | C3 | C4 | 119.3° | 119.2° |
| C8 | C3 | C2 | 126.8° | 120.4° |
| C5 | C4 | C3 | 122.1° | 120.2° |
| C5 | C4 | H3 | 119.0° | 119.9° |
| C4 | C5 | H4 | 119.9° | 119.6° |
| C4 | C3 | C2 | 113.8° | 120.4° |
| C3 | C4 | H3 | 119.0° | 119.9° |
| C3 | C2 | C1 | 134.3° | 120.0° |
| C3 | C2 | H2 | 112.8° | 120.0° |
| C2 | C1 | C | 120.4° | 120.0° |
| C1 | C2 | H2 | 112.8° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C | O1 | 118.5° | 120.0° |
| C1 | C | O | 120.0° | 120.0° |
| C | C1 | H1 | 119.8° | 120.0° |
| O1 | C | O | 121.4° | 120.1° |
| C | O1 | H | 109.5° | 114.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.4° | 109.5° |
| H11 | C16 | H10 | 109.5° | 109.5° |
| H12 | C16 | H10 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H14 | C17 | H13 | 109.4° | 109.4° |
| H15 | C17 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C22 | C21 | C23 | 179.4° | 179.9° |
| CL1 | C22 | C21 | C20 | 178.8° | 180.0° |
| CL1 | C22 | C23 | C24 | 179.1° | 179.7° |
| CL1 | C22 | C21 | H16 | 1.2° | 0.0° |
| CL1 | C22 | C23 | H17 | 0.9° | 0.0° |
| C22 | C21 | C20 | H16 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.4° |
| C22 | C21 | C20 | CL | 179.1° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C21 | C22 | C23 | H17 | 179.6° | 180.0° |
| C23 | C22 | C21 | C20 | 0.7° | 0.1° |
| C22 | C23 | C24 | H17 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.5° | 0.6° |
| C22 | C23 | C24 | CL2 | 178.8° | 180.0° |
| C23 | C22 | C21 | H16 | 179.3° | 179.9° |
| C21 | C20 | CL | C19 | 179.2° | 179.9° |
| C21 | C20 | C19 | C24 | 0.8° | 0.4° |
| C21 | C20 | C19 | C18 | 174.8° | 180.0° |
| C23 | C24 | C19 | C20 | 1.1° | 0.6° |
| C23 | C24 | C19 | CL2 | 179.3° | 179.4° |
| C23 | C24 | C19 | C18 | 174.4° | 179.7° |
| CL | C20 | C19 | C24 | 180.0° | 179.7° |
| CL | C20 | C19 | C18 | 4.4° | 0.1° |
| CL | C20 | C21 | H16 | 0.9° | 0.0° |
| C20 | C19 | C24 | C18 | 175.5° | 179.6° |
| C20 | C19 | C24 | CL2 | 178.2° | 180.0° |
| C20 | C19 | C18 | N1 | 103.7° | 121.2° |
| C20 | C19 | C18 | C13 | 68.8° | 58.7° |
| C19 | C20 | C21 | H16 | 179.9° | 179.9° |
| C24 | C19 | C18 | N1 | 81.0° | 59.1° |
| C24 | C19 | C18 | C13 | 106.6° | 120.9° |
| C19 | C24 | C23 | H17 | 179.5° | 179.7° |
| CL2 | C24 | C19 | C18 | 6.3° | 0.3° |
| CL2 | C24 | C23 | H17 | 1.2° | 0.3° |
| N1 | C18 | C19 | C13 | 172.4° | 180.0° |
| C18 | N1 | O2 | C14 | 0.3° | 0.0° |
| N1 | C18 | C13 | C14 | 0.9° | 0.0° |
| N1 | C18 | C13 | C12 | 179.1° | 180.0° |
| O2 | N1 | C18 | C19 | 172.7° | 180.0° |
| O2 | N1 | C18 | C13 | 0.7° | 0.0° |
| N1 | O2 | C14 | C13 | 0.3° | 0.1° |
| N1 | O2 | C14 | C15 | 178.2° | 180.0° |
| C19 | C18 | C13 | C14 | 172.1° | 180.0° |
| C19 | C18 | C13 | C12 | 6.1° | 0.0° |
| C18 | C13 | C14 | O2 | 0.7° | 0.1° |
| C18 | C13 | C14 | C12 | 178.2° | 180.0° |
| C18 | C13 | C14 | C15 | 177.4° | 180.0° |
| C18 | C13 | C12 | O3 | 109.2° | 94.4° |
| C18 | C13 | C12 | N | 70.4° | 85.5° |
| O2 | C14 | C13 | C15 | 178.1° | 179.9° |
| O2 | C14 | C13 | C12 | 178.9° | 180.0° |
| O2 | C14 | C15 | C16 | 71.0° | 114.9° |
| O2 | C14 | C15 | F | 48.1° | 125.1° |
| O2 | C14 | C15 | C17 | 167.9° | 5.1° |
| C13 | C14 | C15 | C16 | 107.0° | 65.0° |
| C13 | C14 | C15 | F | 133.9° | 55.0° |
| C13 | C14 | C15 | C17 | 14.1° | 175.0° |
| C14 | C13 | C12 | O3 | 68.6° | 85.6° |
| C14 | C13 | C12 | N | 111.8° | 94.5° |
| C12 | C13 | C14 | C15 | 0.8° | 0.0° |
| C13 | C12 | O3 | N | 179.6° | 179.9° |
| C13 | C12 | N | C11 | 16.9° | 4.9° |
| C13 | C12 | N | C7 | 163.0° | 175.0° |
| C14 | C15 | C16 | F | 119.4° | 120.0° |
| C14 | C15 | C16 | C17 | 122.2° | 120.0° |
| C14 | C15 | F | C17 | 121.2° | 120.0° |
| C14 | C15 | C16 | H11 | 180.0° | 60.0° |
| C14 | C15 | C16 | H12 | 60.0° | 180.0° |
| C14 | C15 | C16 | H10 | 60.0° | 60.0° |
| C14 | C15 | C17 | H14 | 180.0° | 60.0° |
| C14 | C15 | C17 | H15 | 60.0° | 180.0° |
| C14 | C15 | C17 | H13 | 60.0° | 60.0° |
| C16 | C15 | F | C17 | 118.8° | 120.0° |
| C15 | C16 | H11 | H12 | 120.0° | 120.0° |
| C15 | C16 | H11 | H10 | 120.0° | 119.9° |
| C15 | C16 | H12 | H10 | 119.9° | 120.0° |
| C16 | C15 | C17 | H14 | 58.4° | 180.0° |
| C16 | C15 | C17 | H15 | 61.7° | 60.0° |
| C16 | C15 | C17 | H13 | 178.4° | 60.0° |
| F | C15 | C16 | H11 | 60.6° | 180.0° |
| F | C15 | C16 | H12 | 59.4° | 60.0° |
| F | C15 | C16 | H10 | 179.4° | 60.0° |
| F | C15 | C17 | H14 | 60.0° | 60.0° |
| F | C15 | C17 | H15 | 180.0° | 60.0° |
| F | C15 | C17 | H13 | 60.0° | 180.0° |
| C17 | C15 | C16 | H11 | 57.8° | 60.1° |
| C17 | C15 | C16 | H12 | 177.8° | 60.0° |
| C17 | C15 | C16 | H10 | 62.2° | 180.0° |
| C15 | C17 | H14 | H15 | 120.0° | 120.1° |
| C15 | C17 | H14 | H13 | 120.0° | 120.0° |
| C15 | C17 | H15 | H13 | 120.0° | 120.1° |
| O3 | C12 | N | C11 | 163.5° | 175.0° |
| O3 | C12 | N | C7 | 16.6° | 5.1° |
| C12 | N | C11 | C7 | 179.9° | 179.9° |
| C12 | N | C11 | C9 | 179.6° | 179.9° |
| C12 | N | C7 | C6 | 1.3° | 0.3° |
| C12 | N | C7 | C8 | 179.9° | 179.9° |
| C12 | N | C11 | H9 | 0.4° | 0.0° |
| N | C11 | C9 | H9 | 180.0° | 180.0° |
| C11 | N | C7 | C6 | 178.6° | 179.8° |
| C11 | N | C7 | C8 | 0.2° | 0.0° |
| N | C11 | C9 | C10 | 178.6° | 180.0° |
| N | C11 | C9 | C8 | 0.6° | 0.0° |
| C7 | N | C11 | C9 | 0.5° | 0.0° |
| N | C7 | C6 | C8 | 178.6° | 179.8° |
| N | C7 | C8 | C9 | 0.2° | 0.0° |
| N | C7 | C6 | C5 | 178.3° | 180.0° |
| N | C7 | C8 | C3 | 178.5° | 179.7° |
| C7 | N | C11 | H9 | 179.5° | 179.9° |
| N | C7 | C6 | H5 | 1.7° | 0.1° |
| C11 | C9 | C8 | C7 | 0.4° | 0.0° |
| C11 | C9 | C10 | C8 | 178.9° | 180.0° |
| C11 | C9 | C8 | C3 | 177.7° | 179.6° |
| C11 | C9 | C10 | H6 | 89.5° | 96.2° |
| C11 | C9 | C10 | H7 | 150.5° | 143.8° |
| C11 | C9 | C10 | H8 | 30.5° | 23.8° |
| C6 | C7 | C8 | C9 | 179.0° | 179.8° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 0.4° | 0.5° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H4 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 178.6° | 180.0° |
| C7 | C8 | C9 | C3 | 178.1° | 179.6° |
| C8 | C7 | C6 | C5 | 0.3° | 0.2° |
| C7 | C8 | C3 | C4 | 0.2° | 0.5° |
| C7 | C8 | C3 | C2 | 174.6° | 179.7° |
| C8 | C7 | C6 | H5 | 179.7° | 179.7° |
| C10 | C9 | C8 | C3 | 3.2° | 0.4° |
| C9 | C10 | H6 | H7 | 120.0° | 120.0° |
| C9 | C10 | H6 | H8 | 120.0° | 120.0° |
| C9 | C10 | H7 | H8 | 120.0° | 120.0° |
| C10 | C9 | C11 | H9 | 1.4° | 0.0° |
| C9 | C8 | C3 | C4 | 178.2° | 179.9° |
| C9 | C8 | C3 | C2 | 3.4° | 0.2° |
| C8 | C9 | C10 | H6 | 89.4° | 83.8° |
| C8 | C9 | C10 | H7 | 30.6° | 36.2° |
| C8 | C9 | C10 | H8 | 150.6° | 156.1° |
| C8 | C9 | C11 | H9 | 179.5° | 179.9° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H3 | 179.9° | 179.9° |
| C8 | C3 | C4 | C5 | 0.1° | 0.3° |
| C8 | C3 | C4 | C2 | 175.4° | 179.7° |
| C8 | C3 | C2 | C1 | 8.2° | 174.8° |
| C8 | C3 | C2 | H2 | 171.8° | 5.2° |
| C8 | C3 | C4 | H3 | 179.9° | 179.8° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 175.5° | 180.0° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C4 | C3 | C2 | C1 | 176.8° | 5.0° |
| C4 | C3 | C2 | H2 | 3.2° | 175.0° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 163.0° | 180.0° |
| C3 | C2 | C1 | H1 | 17.0° | 0.0° |
| C2 | C3 | C4 | H3 | 4.5° | 0.1° |
| C2 | C1 | C | H1 | 180.0° | 180.0° |
| C2 | C1 | C | O1 | 8.7° | 180.0° |
| C2 | C1 | C | O | 167.8° | 0.0° |
| C1 | C | O1 | O | 176.4° | 180.0° |
| C | C1 | C2 | H2 | 17.0° | 0.0° |
| C1 | C | O1 | H | 176.4° | 180.0° |
| O1 | C | C1 | H1 | 171.4° | 0.0° |
| O | C | C1 | H1 | 12.2° | 180.0° |
| O | C | O1 | H | 0.0° | 0.0° |
| H2 | C2 | C1 | H1 | 163.0° | NaN° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H11 | C16 | H12 | H10 | 120.0° | 120.1° |
| H14 | C17 | H15 | H13 | 120.0° | 119.9° |
| H3 | C4 | C5 | H4 | 0.1° | 0.1° |
| H4 | C5 | C6 | H5 | 0.1° | 0.1° |
