C7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C7 | C6 | sing | 1.52Å | 1.57Å | |
| F | C3 | sing | 1.35Å | 1.34Å | |
| C8 | S | sing | 1.81Å | 1.77Å | |
| C15 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C4 | sing | 1.51Å | 1.53Å | |
| C6 | N | sing | 1.45Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.50Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| S | C9 | sing | 1.76Å | 1.68Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| N | C9 | doub | 1.28Å | 1.27Å | |
| C9 | N1 | sing | 1.38Å | 1.33Å | |
| C5 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.40Å | Aromatic |
| C | N2 | sing | 1.40Å | 1.37Å | |
| N2 | C10 | sing | 1.35Å | 1.34Å | |
| O | C10 | doub | 1.22Å | 1.22Å | |
| C10 | C11 | sing | 1.48Å | 1.50Å | |
| C11 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C14 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C12 | doub | 1.31Å | 1.35Å | Aromatic |
| N4 | C13 | doub | 1.33Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | O1 | sing | 1.35Å | 1.37Å | |
| O1 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | F1 | sing | 1.40Å | 1.37Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C20 | C21 | H18 | 120.2° | 120.0° |
| C21 | C20 | H19 | 119.8° | 120.0° |
| C21 | C22 | C16 | 121.4° | 120.0° |
| C21 | C22 | H17 | 119.3° | 120.0° |
| C22 | C21 | H18 | 120.2° | 120.0° |
| C20 | C19 | C18 | 119.7° | 120.0° |
| C19 | C20 | H19 | 119.9° | 120.0° |
| C20 | C19 | H20 | 120.1° | 120.0° |
| C22 | C16 | C18 | 118.3° | 120.0° |
| C22 | C16 | C7 | 119.5° | 120.0° |
| C16 | C22 | H17 | 119.3° | 120.0° |
| C19 | C18 | C16 | 120.7° | 120.0° |
| C18 | C19 | H20 | 120.2° | 120.0° |
| C19 | C18 | H21 | 119.6° | 120.0° |
| C18 | C16 | C7 | 122.2° | 120.0° |
| C16 | C18 | H21 | 119.7° | 120.0° |
| C16 | C7 | C8 | 110.0° | 109.6° |
| C16 | C7 | C6 | 114.2° | 109.5° |
| C16 | C7 | H4 | 106.2° | 109.6° |
| C8 | C7 | C6 | 114.2° | 109.0° |
| C7 | C8 | S | 111.2° | 107.9° |
| C8 | C7 | H4 | 105.9° | 109.6° |
| C7 | C8 | H8 | 109.0° | 109.8° |
| C7 | C8 | H9 | 109.0° | 109.8° |
| C7 | C6 | C15 | 109.2° | 108.8° |
| C7 | C6 | C4 | 109.5° | 108.9° |
| C7 | C6 | N | 114.4° | 112.7° |
| C6 | C7 | H4 | 105.6° | 109.6° |
| F | C3 | C4 | 120.2° | 120.0° |
| F | C3 | C2 | 119.1° | 119.9° |
| C8 | S | C9 | 108.4° | 99.7° |
| S | C8 | H8 | 109.0° | 109.8° |
| S | C8 | H9 | 109.0° | 109.8° |
| C15 | C6 | C4 | 113.3° | 108.8° |
| C15 | C6 | N | 101.4° | 108.8° |
| C6 | C15 | H12 | 109.5° | 109.5° |
| C6 | C15 | H13 | 109.4° | 109.4° |
| C6 | C15 | H14 | 109.5° | 109.4° |
| C4 | C6 | N | 109.0° | 108.8° |
| C6 | C4 | C3 | 124.7° | 119.9° |
| C6 | C4 | C5 | 120.0° | 120.0° |
| C6 | N | C9 | 129.0° | 128.5° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C3 | C4 | C5 | 115.3° | 120.0° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| S | C9 | N | 122.9° | 124.0° |
| S | C9 | N1 | 119.3° | 118.0° |
| C4 | C5 | C | 123.3° | 119.9° |
| C4 | C5 | H3 | 118.3° | 120.0° |
| C2 | C1 | C | 120.4° | 119.9° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 119.9° | 119.9° |
| N | C9 | N1 | 117.7° | 118.0° |
| C9 | N1 | H5 | 120.0° | 120.0° |
| C9 | N1 | H6 | 120.0° | 119.9° |
| C5 | C | C1 | 120.1° | 119.9° |
| C5 | C | N2 | 115.4° | 120.0° |
| C | C5 | H3 | 118.3° | 120.1° |
| C1 | C | N2 | 124.4° | 120.1° |
| C | C1 | H1 | 119.8° | 120.0° |
| C | N2 | C10 | 129.9° | 120.0° |
| C | N2 | H7 | 115.0° | 120.0° |
| N2 | C10 | O | 124.4° | 120.0° |
| N2 | C10 | C11 | 117.0° | 120.0° |
| C10 | N2 | H7 | 115.0° | 120.0° |
| O | C10 | C11 | 118.6° | 120.0° |
| C10 | C11 | C14 | 120.5° | 120.0° |
| C10 | C11 | N3 | 119.7° | 120.0° |
| C14 | C11 | N3 | 119.8° | 119.9° |
| C11 | C14 | N4 | 119.1° | 119.9° |
| C11 | C14 | H11 | 120.4° | 120.1° |
| C11 | N3 | C12 | 121.0° | 120.0° |
| C14 | N4 | C13 | 121.3° | 120.0° |
| N4 | C14 | H11 | 120.5° | 120.0° |
| N3 | C12 | C13 | 119.2° | 120.0° |
| N3 | C12 | H10 | 120.4° | 120.0° |
| N4 | C13 | C12 | 119.6° | 120.0° |
| N4 | C13 | O1 | 121.4° | 120.0° |
| C12 | C13 | O1 | 118.9° | 120.0° |
| C13 | C12 | H10 | 120.4° | 120.0° |
| C13 | O1 | C17 | 122.7° | 117.0° |
| O1 | C17 | F1 | 109.5° | 109.5° |
| O1 | C17 | H15 | 109.5° | 109.5° |
| O1 | C17 | H16 | 109.5° | 109.5° |
| F1 | C17 | H15 | 109.5° | 109.4° |
| F1 | C17 | H16 | 109.5° | 109.5° |
| H5 | N1 | H6 | 120.0° | 120.1° |
| H8 | C8 | H9 | 109.5° | 109.8° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H12 | C15 | H14 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C21 | C22 | C16 | 0.4° | 0.1° |
| C21 | C20 | C19 | C18 | 0.4° | 0.0° |
| C20 | C21 | C22 | H17 | 179.6° | 180.0° |
| C21 | C20 | C19 | H20 | 179.5° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C22 | C16 | H17 | 180.0° | 179.9° |
| C21 | C22 | C16 | C18 | 0.2° | 0.0° |
| C21 | C22 | C16 | C7 | 179.8° | 179.8° |
| C22 | C21 | C20 | H19 | 179.9° | 180.0° |
| C20 | C19 | C18 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | C16 | 0.6° | 0.1° |
| C19 | C20 | C21 | H18 | 179.9° | 180.0° |
| C20 | C19 | C18 | H21 | 179.4° | 179.7° |
| C22 | C16 | C18 | C19 | 0.3° | 0.0° |
| C22 | C16 | C18 | C7 | 179.6° | 179.7° |
| C22 | C16 | C7 | C8 | 141.3° | 99.0° |
| C22 | C16 | C7 | C6 | 88.7° | 20.5° |
| C22 | C16 | C7 | H4 | 27.2° | 140.7° |
| C16 | C22 | C21 | H18 | 179.6° | 180.0° |
| C22 | C16 | C18 | H21 | 179.7° | 179.7° |
| C19 | C18 | C16 | H21 | 180.0° | 179.7° |
| C19 | C18 | C16 | C7 | 179.3° | 179.7° |
| C18 | C19 | C20 | H19 | 179.6° | 179.9° |
| C18 | C16 | C7 | C8 | 39.1° | 81.2° |
| C18 | C16 | C7 | C6 | 90.9° | 159.3° |
| C18 | C16 | C7 | H4 | 153.2° | 39.0° |
| C18 | C16 | C22 | H17 | 179.8° | 179.9° |
| C16 | C18 | C19 | H20 | 179.4° | 179.9° |
| C16 | C7 | C8 | C6 | 129.9° | 119.8° |
| C16 | C7 | C8 | H4 | 114.3° | 120.3° |
| C16 | C7 | C6 | H4 | 116.3° | 120.3° |
| C16 | C7 | C8 | S | 178.6° | 48.8° |
| C16 | C7 | C6 | C15 | 75.5° | 175.3° |
| C16 | C7 | C6 | C4 | 49.1° | 56.8° |
| C16 | C7 | C6 | N | 171.7° | 64.0° |
| C16 | C7 | C8 | H8 | 61.2° | 70.8° |
| C16 | C7 | C8 | H9 | 58.3° | 168.5° |
| C7 | C16 | C22 | H17 | 0.2° | 0.3° |
| C7 | C16 | C18 | H21 | 0.7° | 0.0° |
| C8 | C7 | C6 | H4 | 115.9° | 119.9° |
| C7 | C8 | S | H8 | 120.3° | 119.6° |
| C7 | C8 | S | H9 | 120.3° | 119.6° |
| C8 | C7 | C6 | C15 | 156.7° | 64.9° |
| C8 | C7 | C6 | C4 | 78.8° | 176.7° |
| C8 | C7 | C6 | N | 43.9° | 55.9° |
| C7 | C8 | S | C9 | 30.8° | 47.3° |
| C7 | C8 | H8 | H9 | 119.2° | 120.8° |
| C6 | C7 | C8 | S | 51.5° | 71.0° |
| C7 | C6 | C15 | C4 | 122.3° | 118.5° |
| C7 | C6 | C15 | N | 121.1° | 123.1° |
| C7 | C6 | C4 | N | 125.8° | 123.2° |
| C7 | C6 | C4 | C3 | 84.3° | 56.8° |
| C7 | C6 | C4 | C5 | 92.7° | 123.1° |
| C7 | C6 | N | C9 | 13.0° | 19.8° |
| C6 | C7 | C8 | H8 | 68.8° | 169.4° |
| C6 | C7 | C8 | H9 | 171.8° | 48.6° |
| C7 | C6 | C15 | H12 | 180.0° | 178.4° |
| C7 | C6 | C15 | H13 | 60.0° | 61.6° |
| C7 | C6 | C15 | H14 | 60.0° | 58.4° |
| F | C3 | C4 | C6 | 2.2° | 0.0° |
| F | C3 | C4 | C2 | 179.8° | 179.9° |
| F | C3 | C4 | C5 | 179.3° | 180.0° |
| F | C3 | C2 | C1 | 179.8° | 180.0° |
| F | C3 | C2 | H2 | 0.3° | 0.0° |
| C8 | S | C9 | N | 2.6° | 14.9° |
| C8 | S | C9 | N1 | 177.0° | 165.0° |
| S | C8 | C7 | H4 | 64.2° | 169.1° |
| S | C8 | H8 | H9 | 119.2° | 120.8° |
| C15 | C6 | C4 | N | 112.1° | 118.4° |
| C15 | C6 | C4 | C3 | 37.8° | 61.6° |
| C15 | C6 | C4 | C5 | 145.2° | 118.5° |
| C15 | C6 | N | C9 | 130.4° | 101.0° |
| C15 | C6 | C7 | H4 | 40.8° | 55.0° |
| C6 | C15 | H12 | H13 | 120.0° | 120.0° |
| C6 | C15 | H12 | H14 | 120.0° | 120.0° |
| C6 | C15 | H13 | H14 | 120.0° | 119.9° |
| C6 | C4 | C3 | C5 | 177.1° | 180.0° |
| C6 | C4 | C3 | C2 | 178.1° | 179.9° |
| C4 | C6 | N | C9 | 109.9° | 140.6° |
| C6 | C4 | C5 | C | 177.8° | 180.0° |
| C6 | C4 | C5 | H3 | 2.2° | 0.0° |
| C4 | C6 | C7 | H4 | 165.4° | 63.5° |
| C4 | C6 | C15 | H12 | 57.7° | 60.0° |
| C4 | C6 | C15 | H13 | 177.7° | 180.0° |
| C4 | C6 | C15 | H14 | 62.3° | 60.1° |
| N | C6 | C4 | C3 | 149.9° | 180.0° |
| C6 | N | C9 | S | 6.8° | 1.5° |
| N | C6 | C4 | C5 | 33.1° | 0.1° |
| C6 | N | C9 | N1 | 173.6° | 178.5° |
| N | C6 | C7 | H4 | 72.0° | 175.7° |
| N | C6 | C15 | H12 | 58.9° | 58.4° |
| N | C6 | C15 | H13 | 61.0° | 61.6° |
| N | C6 | C15 | H14 | 178.9° | 178.5° |
| C4 | C3 | C2 | C1 | 0.5° | 0.1° |
| C3 | C4 | C5 | C | 0.6° | 0.0° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C3 | C4 | C5 | H3 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.4° | 0.1° |
| C3 | C2 | C1 | H1 | 179.6° | 179.8° |
| S | C9 | N | N1 | 179.6° | 179.9° |
| S | C9 | N1 | H5 | 0.0° | 180.0° |
| S | C9 | N1 | H6 | 180.0° | 0.1° |
| C9 | S | C8 | H8 | 89.5° | 166.9° |
| C9 | S | C8 | H9 | 151.1° | 72.3° |
| C4 | C5 | C | H3 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 0.3° | 0.0° |
| C4 | C5 | C | N2 | 179.0° | 179.8° |
| C2 | C1 | C | C5 | 0.8° | 0.0° |
| C2 | C1 | C | H1 | 180.0° | 179.9° |
| C2 | C1 | C | N2 | 179.4° | 179.8° |
| N | C9 | N1 | H5 | 179.6° | 0.1° |
| N | C9 | N1 | H6 | 0.4° | 180.0° |
| C9 | N1 | H5 | H6 | 180.0° | 180.0° |
| C5 | C | C1 | N2 | 178.6° | 179.8° |
| C5 | C | N2 | C10 | 165.2° | 146.1° |
| C5 | C | C1 | H1 | 179.2° | 179.8° |
| C5 | C | N2 | H7 | 14.8° | 34.0° |
| C1 | C | N2 | C10 | 16.2° | 34.2° |
| C | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C | C5 | H3 | 179.7° | 180.0° |
| C1 | C | N2 | H7 | 163.8° | 145.8° |
| C | N2 | C10 | H7 | 180.0° | 179.9° |
| C | N2 | C10 | O | 7.7° | 5.3° |
| C | N2 | C10 | C11 | 171.1° | 174.7° |
| N2 | C | C1 | H1 | 0.6° | 0.1° |
| N2 | C | C5 | H3 | 1.0° | 0.2° |
| N2 | C10 | O | C11 | 178.8° | 180.0° |
| N2 | C10 | C11 | C14 | 161.7° | 180.0° |
| N2 | C10 | C11 | N3 | 18.4° | 0.0° |
| O | C10 | C11 | C14 | 19.5° | 0.0° |
| O | C10 | C11 | N3 | 160.4° | 180.0° |
| O | C10 | N2 | H7 | 172.3° | 174.8° |
| C10 | C11 | C14 | N3 | 179.9° | 179.9° |
| C10 | C11 | C14 | N4 | 179.4° | 180.0° |
| C10 | C11 | N3 | C12 | 179.8° | 180.0° |
| C11 | C10 | N2 | H7 | 8.9° | 5.2° |
| C10 | C11 | C14 | H11 | 0.6° | 0.1° |
| C11 | C14 | N4 | H11 | 180.0° | 179.9° |
| C14 | C11 | N3 | C12 | 0.1° | 0.0° |
| C11 | C14 | N4 | C13 | 0.4° | 0.1° |
| N3 | C11 | C14 | N4 | 0.5° | 0.0° |
| C11 | N3 | C12 | C13 | 0.3° | 0.1° |
| C11 | N3 | C12 | H10 | 179.7° | 180.0° |
| N3 | C11 | C14 | H11 | 179.5° | 179.9° |
| C14 | N4 | C13 | C12 | 0.1° | 0.1° |
| C14 | N4 | C13 | O1 | 180.0° | 180.0° |
| N3 | C12 | C13 | N4 | 0.5° | 0.1° |
| N3 | C12 | C13 | H10 | 180.0° | 179.9° |
| N3 | C12 | C13 | O1 | 179.6° | 180.0° |
| N4 | C13 | C12 | O1 | 179.9° | 180.0° |
| N4 | C13 | O1 | C17 | 13.5° | 0.0° |
| N4 | C13 | C12 | H10 | 179.5° | 180.0° |
| C13 | N4 | C14 | H11 | 179.6° | 180.0° |
| C12 | C13 | O1 | C17 | 166.6° | 179.9° |
| C13 | O1 | C17 | F1 | 59.3° | 75.0° |
| O1 | C13 | C12 | H10 | 0.4° | 0.1° |
| C13 | O1 | C17 | H15 | 60.6° | 165.0° |
| C13 | O1 | C17 | H16 | 179.4° | 45.0° |
| O1 | C17 | F1 | H15 | 120.0° | 120.0° |
| O1 | C17 | F1 | H16 | 120.0° | 120.1° |
| O1 | C17 | H15 | H16 | 120.0° | 120.0° |
| F1 | C17 | H15 | H16 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.2° |
| H4 | C7 | C8 | H8 | 175.5° | 49.5° |
| H4 | C7 | C8 | H9 | 56.1° | 71.2° |
| H12 | C15 | H13 | H14 | 120.0° | 120.0° |
| H17 | C22 | C21 | H18 | 0.4° | 0.1° |
| H18 | C21 | C20 | H19 | 0.1° | 0.0° |
| H19 | C20 | C19 | H20 | 0.5° | 0.1° |
| H20 | C19 | C18 | H21 | 0.6° | 0.2° |
