07G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | F1 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| F2 | C5 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | C8 | sing | 1.35Å | 1.33Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C8 | O1 | doub | 1.21Å | 1.23Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | N1 | sing | 1.47Å | 1.44Å | |
| C10 | C9 | sing | 1.51Å | 1.48Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| N3 | C10 | sing | 1.35Å | 1.35Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C20 | N3 | sing | 1.47Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | C20 | sing | 1.53Å | 1.53Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | C9 | sing | 1.51Å | 1.53Å | |
| C14 | C11 | sing | 1.42Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| CL1 | C17 | sing | 1.74Å | 1.73Å | |
| C18 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.41Å | 1.38Å | Aromatic |
| N2 | C13 | sing | 1.38Å | 1.34Å | Aromatic |
| N2 | C12 | sing | 1.38Å | 1.34Å | Aromatic |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C19 | C12 | sing | 1.47Å | 1.52Å | |
| C19 | O4 | sing | 1.35Å | 1.24Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å | |
| O3 | C19 | doub | 1.22Å | 1.24Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C3 | C4 | 119.4° | 120.0° |
| H1 | C3 | C2 | 119.4° | 120.0° |
| F1 | C4 | C3 | 121.1° | 120.1° |
| F1 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.2° | 119.9° |
| C4 | C3 | C2 | 121.2° | 120.1° |
| C4 | C5 | F2 | 119.0° | 120.0° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| F2 | C5 | C6 | 120.7° | 120.0° |
| C5 | C6 | C1 | 120.3° | 120.0° |
| C5 | C6 | H2 | 119.8° | 120.1° |
| C1 | C6 | H2 | 119.9° | 120.0° |
| C6 | C1 | C2 | 119.9° | 120.1° |
| C6 | C1 | H3 | 120.1° | 120.0° |
| C2 | C1 | H3 | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.1° | 120.1° |
| C1 | C2 | C7 | 121.6° | 119.9° |
| C3 | C2 | C7 | 119.3° | 120.0° |
| C2 | C7 | H4 | 108.3° | 109.5° |
| C2 | C7 | H5 | 108.3° | 109.5° |
| C2 | C7 | N1 | 114.2° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | N1 | 108.3° | 109.4° |
| H5 | C7 | N1 | 108.3° | 109.5° |
| C8 | N1 | C7 | 122.5° | 120.0° |
| N1 | C8 | O1 | 120.9° | 120.1° |
| N1 | C8 | H6 | 119.6° | 120.0° |
| C8 | N1 | C9 | 127.7° | 120.0° |
| C7 | N1 | C9 | 109.6° | 120.0° |
| O1 | C8 | H6 | 119.6° | 120.0° |
| N1 | C9 | C10 | 120.7° | 109.5° |
| N1 | C9 | C11 | 118.2° | 109.4° |
| N1 | C9 | H7 | 90.1° | 109.5° |
| C9 | C10 | O2 | 114.6° | 120.0° |
| C9 | C10 | N3 | 119.2° | 120.0° |
| C10 | C9 | C11 | 121.1° | 109.5° |
| C10 | C9 | H7 | 90.1° | 109.4° |
| O2 | C10 | N3 | 125.7° | 120.0° |
| C10 | N3 | H8 | 118.1° | 120.0° |
| C10 | N3 | C20 | 123.7° | 120.0° |
| H8 | N3 | C20 | 118.2° | 120.0° |
| N3 | C20 | C21 | 107.1° | 109.5° |
| N3 | C20 | C22 | 112.0° | 109.5° |
| N3 | C20 | C23 | 109.6° | 109.4° |
| C21 | C20 | C22 | 110.1° | 109.4° |
| C21 | C20 | C23 | 108.1° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C22 | H9 | 109.5° | 109.4° |
| C20 | C22 | H10 | 109.5° | 109.5° |
| C20 | C22 | H11 | 109.5° | 109.5° |
| C22 | C20 | C23 | 109.7° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| C20 | C23 | H12 | 109.5° | 109.5° |
| C20 | C23 | H13 | 109.5° | 109.4° |
| C20 | C23 | H14 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.4° | 109.5° |
| H12 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| C9 | C11 | C14 | 115.2° | 126.1° |
| C9 | C11 | C12 | 137.4° | 126.1° |
| C11 | C9 | H7 | 90.1° | 109.5° |
| C11 | C14 | C15 | 132.1° | 133.4° |
| C11 | C14 | C13 | 106.9° | 106.9° |
| C14 | C11 | C12 | 107.1° | 107.8° |
| C14 | C15 | H18 | 120.2° | 120.1° |
| C14 | C15 | C16 | 119.6° | 119.8° |
| C15 | C14 | C13 | 120.9° | 119.7° |
| H18 | C15 | C16 | 120.2° | 120.1° |
| C15 | C16 | H19 | 120.0° | 119.6° |
| C15 | C16 | C17 | 120.0° | 120.7° |
| H19 | C16 | C17 | 120.0° | 119.7° |
| C16 | C17 | CL1 | 120.1° | 119.7° |
| C16 | C17 | C18 | 120.1° | 120.6° |
| CL1 | C17 | C18 | 119.8° | 119.7° |
| C13 | C18 | C17 | 120.3° | 119.8° |
| C13 | C18 | H20 | 119.8° | 120.1° |
| C18 | C13 | C14 | 119.1° | 119.5° |
| C18 | C13 | N2 | 132.6° | 133.1° |
| C17 | C18 | H20 | 119.8° | 120.1° |
| C14 | C13 | N2 | 108.3° | 107.4° |
| C13 | N2 | C12 | 109.5° | 108.8° |
| C13 | N2 | H21 | 125.2° | 125.6° |
| C12 | N2 | H21 | 125.2° | 125.6° |
| N2 | C12 | C11 | 108.1° | 109.1° |
| N2 | C12 | C19 | 121.9° | 125.4° |
| C11 | C12 | C19 | 130.0° | 125.5° |
| C12 | C19 | O4 | 120.2° | 120.0° |
| C12 | C19 | O3 | 114.9° | 119.9° |
| C19 | O4 | H22 | 109.5° | 117.0° |
| O4 | C19 | O3 | 124.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C3 | C4 | F1 | 0.2° | 0.0° |
| H1 | C3 | C4 | C2 | 180.0° | 179.8° |
| H1 | C3 | C4 | C5 | 179.8° | 180.0° |
| H1 | C3 | C2 | C1 | 179.9° | 179.7° |
| H1 | C3 | C2 | C7 | 1.4° | 0.2° |
| F1 | C4 | C3 | C5 | 179.6° | 180.0° |
| F1 | C4 | C5 | F2 | 0.3° | 0.0° |
| F1 | C4 | C5 | C6 | 179.9° | 179.9° |
| F1 | C4 | C3 | C2 | 179.9° | 179.7° |
| C3 | C4 | C5 | F2 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.5° |
| C4 | C3 | C2 | C7 | 178.6° | 180.0° |
| C4 | C5 | F2 | C6 | 179.6° | 179.9° |
| C4 | C5 | C6 | C1 | 0.6° | 0.1° |
| C4 | C5 | C6 | H2 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.2° |
| F2 | C5 | C6 | C1 | 179.8° | 180.0° |
| F2 | C5 | C6 | H2 | 0.3° | 0.1° |
| C5 | C6 | C1 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.5° | 0.3° |
| C5 | C6 | C1 | H3 | 179.5° | 180.0° |
| C6 | C1 | C2 | H3 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.3° | 0.5° |
| C6 | C1 | C2 | C7 | 178.7° | 180.0° |
| H2 | C6 | C1 | C2 | 179.4° | 179.8° |
| H2 | C6 | C1 | H3 | 0.6° | 0.0° |
| C1 | C2 | C3 | C7 | 178.4° | 179.5° |
| C1 | C2 | C7 | H4 | 156.9° | 150.0° |
| C1 | C2 | C7 | H5 | 84.5° | 30.0° |
| C1 | C2 | C7 | N1 | 36.2° | 90.0° |
| H3 | C1 | C2 | C3 | 179.7° | 179.8° |
| H3 | C1 | C2 | C7 | 1.3° | 0.2° |
| C3 | C2 | C7 | H4 | 24.7° | 29.5° |
| C3 | C2 | C7 | H5 | 93.9° | 149.5° |
| C3 | C2 | C7 | N1 | 145.4° | 90.4° |
| C2 | C7 | H4 | H5 | 117.8° | 120.0° |
| C2 | C7 | H4 | N1 | 124.3° | 120.0° |
| C2 | C7 | H5 | N1 | 124.3° | 120.1° |
| C2 | C7 | N1 | C8 | 96.1° | 85.2° |
| C2 | C7 | N1 | C9 | 89.0° | 94.7° |
| H4 | C7 | H5 | N1 | 117.9° | 119.9° |
| H4 | C7 | N1 | C8 | 143.2° | 34.8° |
| H4 | C7 | N1 | C9 | 31.7° | 145.3° |
| H5 | C7 | N1 | C8 | 24.5° | 154.7° |
| H5 | C7 | N1 | C9 | 150.4° | 25.4° |
| C8 | N1 | C7 | C9 | 174.9° | 179.9° |
| N1 | C8 | O1 | H6 | 180.0° | 179.9° |
| C8 | N1 | C9 | C10 | 73.0° | 66.8° |
| C8 | N1 | C9 | C11 | 106.7° | 53.2° |
| C8 | N1 | C9 | H7 | 163.2° | 173.2° |
| C7 | N1 | C8 | O1 | 4.4° | 175.4° |
| C7 | N1 | C8 | H6 | 175.6° | 4.7° |
| C7 | N1 | C9 | C10 | 101.5° | 113.1° |
| C7 | N1 | C9 | C11 | 78.8° | 126.9° |
| C7 | N1 | C9 | H7 | 11.4° | 6.8° |
| O1 | C8 | N1 | C9 | 178.4° | 4.5° |
| H6 | C8 | N1 | C9 | 1.7° | 175.4° |
| N1 | C9 | C10 | C11 | 179.7° | 120.0° |
| N1 | C9 | C10 | H7 | 90.2° | 120.0° |
| N1 | C9 | C10 | O2 | 37.9° | 21.7° |
| N1 | C9 | C10 | N3 | 150.2° | 158.3° |
| N1 | C9 | C11 | H7 | 90.1° | 120.0° |
| N1 | C9 | C11 | C14 | 113.8° | 100.2° |
| N1 | C9 | C11 | C12 | 59.2° | 79.5° |
| C9 | C10 | O2 | N3 | 171.3° | 180.0° |
| C9 | C10 | N3 | H8 | 9.0° | 3.4° |
| C9 | C10 | N3 | C20 | 171.0° | 176.6° |
| C10 | C9 | C11 | H7 | 90.2° | 120.0° |
| C10 | C9 | C11 | C14 | 66.5° | 19.8° |
| C10 | C9 | C11 | C12 | 120.4° | 160.5° |
| O2 | C10 | N3 | H8 | 179.9° | 176.6° |
| O2 | C10 | N3 | C20 | 0.1° | 3.4° |
| O2 | C10 | C9 | C11 | 142.4° | 98.3° |
| O2 | C10 | C9 | H7 | 52.3° | 141.7° |
| C10 | N3 | H8 | C20 | 180.0° | 180.0° |
| C10 | N3 | C20 | C21 | 66.0° | 60.0° |
| C10 | N3 | C20 | C22 | 54.8° | 180.0° |
| C10 | N3 | C20 | C23 | 176.9° | 60.0° |
| N3 | C10 | C9 | C11 | 29.5° | 81.7° |
| N3 | C10 | C9 | H7 | 119.6° | 38.3° |
| H8 | N3 | C20 | C21 | 114.0° | 120.0° |
| H8 | N3 | C20 | C22 | 125.2° | 0.0° |
| H8 | N3 | C20 | C23 | 3.1° | 120.0° |
| N3 | C20 | C21 | C22 | 122.0° | 120.0° |
| N3 | C20 | C21 | C23 | 118.1° | 120.0° |
| N3 | C20 | C22 | C23 | 122.0° | 120.0° |
| N3 | C20 | C22 | H9 | 180.0° | 60.0° |
| N3 | C20 | C22 | H10 | 60.0° | 180.0° |
| N3 | C20 | C22 | H11 | 60.0° | 60.0° |
| N3 | C20 | C23 | H12 | 180.0° | 60.0° |
| N3 | C20 | C23 | H13 | 60.0° | 180.0° |
| N3 | C20 | C23 | H14 | 60.0° | 60.0° |
| N3 | C20 | C21 | H15 | 180.0° | 60.0° |
| N3 | C20 | C21 | H16 | 60.0° | 180.0° |
| N3 | C20 | C21 | H17 | 60.0° | 60.0° |
| C21 | C20 | C22 | C23 | 118.9° | 120.0° |
| C21 | C20 | C22 | H9 | 60.9° | 179.9° |
| C21 | C20 | C22 | H10 | 59.1° | 60.0° |
| C21 | C20 | C22 | H11 | 179.1° | 60.0° |
| C21 | C20 | C23 | H12 | 63.5° | 60.0° |
| C21 | C20 | C23 | H13 | 176.5° | 60.0° |
| C21 | C20 | C23 | H14 | 56.5° | 180.0° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C22 | H9 | H10 | 120.0° | 120.0° |
| C20 | C22 | H9 | H11 | 120.0° | 120.0° |
| C20 | C22 | H10 | H11 | 120.0° | 120.0° |
| C22 | C20 | C23 | H12 | 56.6° | 180.0° |
| C22 | C20 | C23 | H13 | 63.4° | 60.0° |
| C22 | C20 | C23 | H14 | 176.6° | 60.0° |
| C22 | C20 | C21 | H15 | 58.0° | 60.0° |
| C22 | C20 | C21 | H16 | 178.0° | 60.0° |
| C22 | C20 | C21 | H17 | 62.1° | 180.0° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H9 | C22 | C20 | C23 | 58.0° | 60.0° |
| H10 | C22 | C20 | C23 | 178.0° | 60.0° |
| H11 | C22 | C20 | C23 | 62.0° | 179.9° |
| C20 | C23 | H12 | H13 | 120.0° | 120.0° |
| C20 | C23 | H12 | H14 | 120.0° | 120.0° |
| C20 | C23 | H13 | H14 | 120.0° | 120.0° |
| C23 | C20 | C21 | H15 | 61.9° | 180.0° |
| C23 | C20 | C21 | H16 | 58.1° | 60.0° |
| C23 | C20 | C21 | H17 | 178.0° | 60.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| C9 | C11 | C14 | C12 | 175.1° | 179.8° |
| C9 | C11 | C14 | C15 | 4.8° | 0.1° |
| C9 | C11 | C14 | C13 | 177.2° | 180.0° |
| C9 | C11 | C12 | N2 | 175.4° | 179.8° |
| C9 | C11 | C12 | C19 | 5.8° | 0.3° |
| C11 | C14 | C15 | C13 | 177.8° | 179.9° |
| C11 | C14 | C15 | H18 | 1.6° | 0.1° |
| C11 | C14 | C15 | C16 | 178.4° | 179.9° |
| C11 | C14 | C13 | C18 | 178.7° | 179.9° |
| C11 | C14 | C13 | N2 | 1.5° | 0.0° |
| C14 | C11 | C12 | N2 | 2.0° | 0.4° |
| C14 | C11 | C12 | C19 | 179.3° | 180.0° |
| C14 | C11 | C9 | H7 | 23.7° | 139.8° |
| C14 | C15 | H18 | C16 | 180.0° | 180.0° |
| C14 | C15 | C16 | H19 | 179.5° | 179.9° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C15 | C14 | C13 | C18 | 0.5° | 0.0° |
| C15 | C14 | C13 | N2 | 179.8° | 179.9° |
| C15 | C14 | C11 | C12 | 179.9° | 179.6° |
| H18 | C15 | C16 | H19 | 0.5° | 0.1° |
| H18 | C15 | C16 | C17 | 179.6° | 180.0° |
| H18 | C15 | C14 | C13 | 179.4° | 180.0° |
| C15 | C16 | H19 | C17 | 180.0° | 179.9° |
| C15 | C16 | C17 | CL1 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| H19 | C16 | C17 | CL1 | 0.4° | 0.0° |
| H19 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | C17 | CL1 | C18 | 179.4° | 179.9° |
| C16 | C17 | C18 | C13 | 0.0° | 0.1° |
| C16 | C17 | C18 | H20 | 180.0° | 180.0° |
| CL1 | C17 | C18 | C13 | 179.4° | 180.0° |
| CL1 | C17 | C18 | H20 | 0.6° | 0.1° |
| C13 | C18 | C17 | H20 | 180.0° | 179.9° |
| C18 | C13 | C14 | N2 | 179.8° | 179.9° |
| C18 | C13 | N2 | C12 | 180.0° | 179.6° |
| C18 | C13 | N2 | H21 | 0.0° | 0.1° |
| C17 | C18 | C13 | C14 | 0.2° | 0.1° |
| C17 | C18 | C13 | N2 | 179.9° | 180.0° |
| H20 | C18 | C13 | C14 | 179.8° | 179.9° |
| H20 | C18 | C13 | N2 | 0.1° | 0.2° |
| C14 | C13 | N2 | C12 | 0.3° | 0.3° |
| C14 | C13 | N2 | H21 | 179.7° | 179.9° |
| C13 | C14 | C11 | C12 | 2.1° | 0.2° |
| C13 | N2 | C12 | H21 | 180.0° | 179.8° |
| C13 | N2 | C12 | C11 | 1.1° | 0.4° |
| C13 | N2 | C12 | C19 | 180.0° | 180.0° |
| N2 | C12 | C11 | C19 | 178.8° | 179.5° |
| N2 | C12 | C19 | O4 | 169.0° | 5.3° |
| N2 | C12 | C19 | O3 | 9.2° | 174.7° |
| H21 | N2 | C12 | C11 | 179.0° | 179.8° |
| H21 | N2 | C12 | C19 | 0.1° | 0.2° |
| C11 | C12 | C19 | O4 | 12.4° | 175.2° |
| C11 | C12 | C19 | O3 | 169.5° | 4.8° |
| C12 | C11 | C9 | H7 | 149.4° | 40.5° |
| C12 | C19 | O4 | O3 | 177.9° | 180.0° |
| C12 | C19 | O4 | H22 | 178.0° | 180.0° |
| H22 | O4 | C19 | O3 | 0.0° | 0.0° |
