SLG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C12 | doub | 1.21Å | 1.21Å | |
| CL | C13 | sing | 1.74Å | 1.73Å | |
| C12 | O | sing | 1.35Å | 1.29Å | |
| C12 | C11 | sing | 1.48Å | 1.50Å | |
| C13 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C | N | sing | 1.47Å | 1.46Å | |
| F | C5 | sing | 1.35Å | 1.37Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | N | sing | 1.46Å | 1.46Å | |
| N | C15 | sing | 1.35Å | 1.38Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | O2 | doub | 1.22Å | 1.23Å | |
| C15 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | doub | 1.36Å | 1.36Å | Aromatic |
| C16 | N1 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.42Å | 1.43Å | Aromatic |
| N1 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| C18 | C23 | doub | 1.41Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | CL1 | sing | 1.74Å | 1.74Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| O | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C12 | O | 125.0° | 120.0° |
| O1 | C12 | C11 | 120.6° | 120.0° |
| CL | C13 | C11 | 120.7° | 120.0° |
| CL | C13 | C14 | 117.5° | 120.0° |
| O | C12 | C11 | 114.3° | 120.0° |
| C12 | O | H17 | 109.5° | 117.0° |
| C12 | C11 | C13 | 123.4° | 120.1° |
| C12 | C11 | C10 | 118.4° | 120.0° |
| C11 | C13 | C14 | 121.7° | 119.9° |
| C13 | C11 | C10 | 118.3° | 119.9° |
| C13 | C14 | C8 | 120.0° | 120.0° |
| C13 | C14 | H6 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.5° | 119.9° |
| C11 | C10 | H5 | 119.7° | 120.0° |
| C14 | C8 | C9 | 118.7° | 120.1° |
| C14 | C8 | C7 | 119.8° | 120.0° |
| C8 | C14 | H6 | 120.0° | 119.9° |
| C10 | C9 | C8 | 120.8° | 120.1° |
| C10 | C9 | H4 | 119.6° | 119.9° |
| C9 | C10 | H5 | 119.7° | 120.0° |
| C9 | C8 | C7 | 121.5° | 120.0° |
| C8 | C9 | H4 | 119.6° | 120.0° |
| C8 | C7 | C6 | 117.3° | 120.1° |
| C8 | C7 | C2 | 122.7° | 120.1° |
| C6 | C7 | C2 | 120.0° | 119.8° |
| C7 | C6 | C5 | 118.9° | 119.8° |
| C7 | C6 | H15 | 120.6° | 120.1° |
| C7 | C2 | C1 | 121.4° | 120.1° |
| C7 | C2 | C3 | 119.0° | 119.9° |
| C6 | C5 | F | 118.0° | 119.9° |
| C6 | C5 | C4 | 123.0° | 120.1° |
| C5 | C6 | H15 | 120.6° | 120.1° |
| C | N | C1 | 116.2° | 120.0° |
| C | N | C15 | 118.4° | 120.0° |
| N | C | H12 | 109.5° | 109.5° |
| N | C | H13 | 109.5° | 109.5° |
| N | C | H14 | 109.5° | 109.5° |
| F | C5 | C4 | 118.9° | 119.9° |
| C5 | C4 | C3 | 118.3° | 120.2° |
| C5 | C4 | H16 | 120.9° | 119.9° |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C2 | C1 | N | 113.2° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C2 | C3 | C4 | 120.8° | 120.2° |
| C2 | C3 | H3 | 119.6° | 119.9° |
| C1 | N | C15 | 125.4° | 120.0° |
| N | C1 | H1 | 108.5° | 109.4° |
| N | C1 | H2 | 108.5° | 109.5° |
| N | C15 | O2 | 119.9° | 120.0° |
| N | C15 | C16 | 120.6° | 120.1° |
| C4 | C3 | H3 | 119.6° | 119.9° |
| C3 | C4 | H16 | 120.8° | 119.9° |
| O2 | C15 | C16 | 119.5° | 119.9° |
| C15 | C16 | C17 | 135.8° | 125.5° |
| C15 | C16 | N1 | 115.0° | 125.4° |
| C17 | C16 | N1 | 109.0° | 109.1° |
| C16 | C17 | C18 | 107.2° | 107.7° |
| C16 | C17 | H10 | 126.4° | 126.1° |
| C16 | N1 | C23 | 109.2° | 108.8° |
| C16 | N1 | H11 | 125.4° | 125.6° |
| C17 | C18 | C23 | 106.6° | 107.0° |
| C17 | C18 | C19 | 135.1° | 133.3° |
| C18 | C17 | H10 | 126.4° | 126.2° |
| N1 | C23 | C18 | 107.9° | 107.4° |
| N1 | C23 | C22 | 130.7° | 133.2° |
| C23 | N1 | H11 | 125.4° | 125.7° |
| C23 | C18 | C19 | 118.3° | 119.7° |
| C18 | C23 | C22 | 121.4° | 119.4° |
| C18 | C19 | C20 | 121.0° | 119.8° |
| C18 | C19 | H7 | 119.5° | 120.0° |
| C23 | C22 | C21 | 117.7° | 119.8° |
| C23 | C22 | H9 | 121.2° | 120.1° |
| C19 | C20 | C21 | 119.4° | 120.7° |
| C20 | C19 | H7 | 119.5° | 120.2° |
| C19 | C20 | H8 | 120.3° | 119.6° |
| C22 | C21 | C20 | 122.3° | 120.6° |
| C22 | C21 | CL1 | 118.8° | 119.7° |
| C21 | C22 | H9 | 121.2° | 120.1° |
| C20 | C21 | CL1 | 118.9° | 119.7° |
| C21 | C20 | H8 | 120.4° | 119.7° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C12 | O | C11 | 180.0° | 179.9° |
| O1 | C12 | C11 | C13 | 46.1° | 0.0° |
| O1 | C12 | C11 | C10 | 134.1° | 180.0° |
| O1 | C12 | O | H17 | 0.0° | 0.1° |
| CL | C13 | C11 | C12 | 6.7° | 0.0° |
| CL | C13 | C11 | C14 | 175.8° | 179.7° |
| CL | C13 | C11 | C10 | 173.1° | 180.0° |
| CL | C13 | C14 | C8 | 174.3° | 179.7° |
| CL | C13 | C14 | H6 | 5.7° | 0.2° |
| O | C12 | C11 | C13 | 133.9° | 180.0° |
| O | C12 | C11 | C10 | 45.9° | 0.0° |
| C12 | C11 | C13 | C10 | 179.8° | 180.0° |
| C12 | C11 | C13 | C14 | 177.5° | 179.7° |
| C12 | C11 | C10 | C9 | 178.7° | 180.0° |
| C12 | C11 | C10 | H5 | 1.2° | 0.1° |
| C11 | C12 | O | H17 | 180.0° | 180.0° |
| C11 | C13 | C14 | C8 | 1.7° | 0.5° |
| C13 | C11 | C10 | C9 | 1.5° | 0.0° |
| C13 | C11 | C10 | H5 | 178.6° | 180.0° |
| C11 | C13 | C14 | H6 | 178.4° | 180.0° |
| C14 | C13 | C11 | C10 | 2.7° | 0.3° |
| C13 | C14 | C8 | H6 | 180.0° | 179.5° |
| C13 | C14 | C8 | C9 | 0.6° | 0.5° |
| C13 | C14 | C8 | C7 | 177.7° | 179.8° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.8° | 0.0° |
| C11 | C10 | C9 | H4 | 179.2° | 179.9° |
| C14 | C8 | C9 | C10 | 1.8° | 0.3° |
| C14 | C8 | C9 | C7 | 178.3° | 179.7° |
| C14 | C8 | C7 | C6 | 63.6° | 127.1° |
| C14 | C8 | C7 | C2 | 116.9° | 52.9° |
| C14 | C8 | C9 | H4 | 178.1° | 179.8° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 176.5° | 180.0° |
| C9 | C8 | C7 | C6 | 114.7° | 52.6° |
| C9 | C8 | C7 | C2 | 64.8° | 127.4° |
| C8 | C9 | C10 | H5 | 179.2° | 180.0° |
| C9 | C8 | C14 | H6 | 179.3° | 180.0° |
| C8 | C7 | C6 | C2 | 179.5° | 180.0° |
| C8 | C7 | C6 | C5 | 179.8° | 180.0° |
| C8 | C7 | C2 | C1 | 1.4° | 0.0° |
| C8 | C7 | C2 | C3 | 179.2° | 179.8° |
| C7 | C8 | C9 | H4 | 3.6° | 0.1° |
| C7 | C8 | C14 | H6 | 2.3° | 0.3° |
| C8 | C7 | C6 | H15 | 0.2° | 0.0° |
| C7 | C6 | C5 | H15 | 180.0° | 179.9° |
| C7 | C6 | C5 | F | 177.4° | 180.0° |
| C7 | C6 | C5 | C4 | 1.1° | 0.2° |
| C6 | C7 | C2 | C1 | 179.1° | 180.0° |
| C6 | C7 | C2 | C3 | 0.3° | 0.3° |
| C2 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C2 | C1 | C3 | 179.4° | 179.7° |
| C7 | C2 | C1 | N | 138.5° | 174.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C7 | C2 | C1 | H1 | 18.0° | 54.0° |
| C7 | C2 | C1 | H2 | 100.9° | 66.0° |
| C7 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C7 | C6 | H15 | 179.7° | 180.0° |
| C6 | C5 | F | C4 | 178.5° | 179.9° |
| C6 | C5 | C4 | C3 | 1.2° | 0.2° |
| C6 | C5 | C4 | H16 | 178.8° | 179.7° |
| C | N | C1 | C2 | 69.4° | 94.8° |
| C | N | C1 | C15 | 178.8° | 180.0° |
| C | N | C15 | O2 | 13.0° | 175.0° |
| C | N | C15 | C16 | 168.7° | 5.1° |
| C | N | C1 | H1 | 51.1° | 145.2° |
| C | N | C1 | H2 | 170.0° | 25.3° |
| N | C | H12 | H13 | 120.0° | 120.0° |
| N | C | H12 | H14 | 120.0° | 120.0° |
| N | C | H13 | H14 | 120.0° | 120.0° |
| F | C5 | C4 | C3 | 177.3° | 180.0° |
| F | C5 | C6 | H15 | 2.6° | 0.1° |
| F | C5 | C4 | H16 | 2.7° | 0.1° |
| C5 | C4 | C3 | C2 | 0.6° | 0.1° |
| C5 | C4 | C3 | H16 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 179.4° | 179.9° |
| C4 | C5 | C6 | H15 | 178.9° | 179.8° |
| C2 | C1 | N | H1 | 120.6° | 120.0° |
| C2 | C1 | N | H2 | 120.6° | 120.1° |
| C2 | C1 | N | C15 | 109.4° | 85.2° |
| C1 | C2 | C3 | C4 | 179.3° | 180.0° |
| C2 | C1 | H1 | H2 | 118.3° | 120.0° |
| C1 | C2 | C3 | H3 | 0.7° | 0.0° |
| C3 | C2 | C1 | N | 40.8° | 6.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 161.4° | 126.3° |
| C3 | C2 | C1 | H2 | 79.7° | 113.7° |
| C2 | C3 | C4 | H16 | 179.4° | 180.0° |
| C1 | N | C15 | O2 | 168.2° | 5.1° |
| C1 | N | C15 | C16 | 10.1° | 174.9° |
| N | C1 | H1 | H2 | 118.3° | 119.9° |
| C1 | N | C | H12 | 180.0° | 2.3° |
| C1 | N | C | H13 | 60.0° | 122.3° |
| C1 | N | C | H14 | 60.0° | 117.8° |
| N | C15 | O2 | C16 | 178.3° | 180.0° |
| N | C15 | C16 | C17 | 28.9° | 174.2° |
| N | C15 | C16 | N1 | 156.1° | 6.2° |
| C15 | N | C1 | H1 | 130.0° | 34.8° |
| C15 | N | C1 | H2 | 11.2° | 154.7° |
| C15 | N | C | H12 | 1.1° | 177.7° |
| C15 | N | C | H13 | 118.9° | 57.7° |
| C15 | N | C | H14 | 121.1° | 62.3° |
| O2 | C15 | C16 | C17 | 152.9° | 5.8° |
| O2 | C15 | C16 | N1 | 22.2° | 173.8° |
| C15 | C16 | C17 | N1 | 175.3° | 179.7° |
| C15 | C16 | C17 | C18 | 175.4° | 179.9° |
| C15 | C16 | N1 | C23 | 175.8° | 179.9° |
| C15 | C16 | C17 | H10 | 4.6° | 0.0° |
| C15 | C16 | N1 | H11 | 4.2° | 0.1° |
| C16 | C17 | C18 | H10 | 180.0° | 179.9° |
| C17 | C16 | N1 | C23 | 0.6° | 0.3° |
| C16 | C17 | C18 | C23 | 0.7° | 0.1° |
| C16 | C17 | C18 | C19 | 178.4° | 179.8° |
| C17 | C16 | N1 | H11 | 179.4° | 179.8° |
| N1 | C16 | C17 | C18 | 0.1° | 0.2° |
| C16 | N1 | C23 | H11 | 180.0° | 180.0° |
| C16 | N1 | C23 | C18 | 1.0° | 0.2° |
| C16 | N1 | C23 | C22 | 177.0° | 179.8° |
| N1 | C16 | C17 | H10 | 179.9° | 179.7° |
| C17 | C18 | C23 | N1 | 1.1° | 0.0° |
| C17 | C18 | C23 | C19 | 178.1° | 179.9° |
| C17 | C18 | C23 | C22 | 177.1° | 179.9° |
| C17 | C18 | C19 | C20 | 176.6° | 179.9° |
| C17 | C18 | C19 | H7 | 3.4° | 0.2° |
| N1 | C23 | C18 | C22 | 178.2° | 179.9° |
| N1 | C23 | C18 | C19 | 179.2° | 179.9° |
| N1 | C23 | C22 | C21 | 178.2° | 179.9° |
| N1 | C23 | C22 | H9 | 1.8° | 0.1° |
| C23 | C18 | C19 | C20 | 0.9° | 0.1° |
| C18 | C23 | C22 | C21 | 0.4° | 0.0° |
| C23 | C18 | C19 | H7 | 179.1° | 180.0° |
| C18 | C23 | C22 | H9 | 179.6° | 180.0° |
| C23 | C18 | C17 | H10 | 179.3° | 179.8° |
| C18 | C23 | N1 | H11 | 179.0° | 179.9° |
| C19 | C18 | C23 | C22 | 1.0° | 0.0° |
| C18 | C19 | C20 | H7 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C18 | C19 | C20 | H8 | 179.8° | 180.0° |
| C19 | C18 | C17 | H10 | 1.6° | 0.3° |
| C23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C23 | C22 | C21 | CL1 | 179.7° | 180.0° |
| C22 | C23 | N1 | H11 | 3.0° | 0.2° |
| C19 | C20 | C21 | C22 | 0.4° | 0.1° |
| C19 | C20 | C21 | H8 | 180.0° | 179.9° |
| C19 | C20 | C21 | CL1 | 179.6° | 180.0° |
| C22 | C21 | C20 | CL1 | 179.9° | 180.0° |
| C22 | C21 | C20 | H8 | 179.6° | 180.0° |
| C21 | C20 | C19 | H7 | 179.8° | 180.0° |
| C20 | C21 | C22 | H9 | 179.7° | 180.0° |
| CL1 | C21 | C20 | H8 | 0.4° | 0.1° |
| CL1 | C21 | C22 | H9 | 0.3° | 0.0° |
| H3 | C3 | C4 | H16 | 0.6° | 0.0° |
| H4 | C9 | C10 | H5 | 0.8° | 0.0° |
| H7 | C19 | C20 | H8 | 0.2° | 0.1° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
