OJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C15 | sing | 1.40Å | 1.32Å | |
| F2 | C15 | sing | 1.40Å | 1.34Å | |
| F3 | C15 | sing | 1.40Å | 1.35Å | |
| C15 | C12 | sing | 1.51Å | 1.48Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | CL1 | sing | 1.74Å | 1.74Å | |
| N2 | C10 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | C3 | sing | 1.48Å | 1.45Å | |
| C3 | C4 | sing | 1.47Å | 1.44Å | Aromatic |
| C3 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | N1 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C15 | F2 | 106.2° | 109.5° |
| F1 | C15 | F3 | 106.4° | 109.5° |
| F1 | C15 | C12 | 111.4° | 109.5° |
| F2 | C15 | F3 | 106.7° | 109.5° |
| F2 | C15 | C12 | 113.8° | 109.5° |
| F3 | C15 | C12 | 111.9° | 109.4° |
| C15 | C12 | C13 | 119.6° | 120.3° |
| C15 | C12 | C11 | 122.3° | 120.2° |
| C13 | C12 | C11 | 118.1° | 119.4° |
| C12 | C13 | C14 | 119.4° | 118.5° |
| C12 | C13 | H6 | 120.3° | 120.7° |
| C12 | C11 | N2 | 123.4° | 120.9° |
| C12 | C11 | H2 | 118.3° | 119.6° |
| C13 | C14 | C10 | 119.0° | 119.0° |
| C13 | C14 | CL1 | 119.2° | 120.5° |
| C14 | C13 | H6 | 120.3° | 120.8° |
| C11 | N2 | C10 | 118.1° | 121.6° |
| N2 | C11 | H2 | 118.3° | 119.5° |
| C10 | C14 | CL1 | 121.7° | 120.5° |
| C14 | C10 | N2 | 121.9° | 120.5° |
| C14 | C10 | C3 | 123.0° | 119.7° |
| N2 | C10 | C3 | 114.5° | 119.8° |
| C10 | C3 | C4 | 124.9° | 126.7° |
| C10 | C3 | C2 | 126.9° | 126.6° |
| C4 | C3 | C2 | 108.0° | 106.7° |
| C3 | C4 | C9 | 135.6° | 134.0° |
| C3 | C4 | C5 | 105.9° | 106.0° |
| C3 | C2 | C1 | 130.4° | 125.2° |
| C3 | C2 | N1 | 108.4° | 109.8° |
| C4 | C9 | C8 | 118.7° | 119.7° |
| C9 | C4 | C5 | 118.5° | 120.0° |
| C4 | C9 | H5 | 120.7° | 120.1° |
| C9 | C8 | C7 | 121.7° | 120.4° |
| C9 | C8 | H4 | 119.2° | 119.8° |
| C8 | C9 | H5 | 120.7° | 120.2° |
| C4 | C5 | N1 | 107.6° | 107.3° |
| C4 | C5 | C6 | 122.9° | 119.4° |
| C1 | C2 | N1 | 121.2° | 125.1° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | N1 | C5 | 110.0° | 110.2° |
| C2 | N1 | H7 | 125.0° | 125.0° |
| C8 | C7 | C6 | 121.2° | 120.6° |
| C8 | C7 | H3 | 119.4° | 119.7° |
| C7 | C8 | H4 | 119.1° | 119.8° |
| N1 | C5 | C6 | 129.5° | 133.3° |
| C5 | N1 | H7 | 125.0° | 124.8° |
| C5 | C6 | C7 | 117.1° | 120.0° |
| C5 | C6 | H1 | 121.4° | 120.0° |
| C7 | C6 | H1 | 121.5° | 120.0° |
| C6 | C7 | H3 | 119.4° | 119.7° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C15 | F2 | F3 | 113.2° | 120.0° |
| F1 | C15 | F2 | C12 | 122.9° | 120.0° |
| F1 | C15 | F3 | C12 | 121.9° | 120.0° |
| F1 | C15 | C12 | C13 | 49.6° | 90.0° |
| F1 | C15 | C12 | C11 | 131.5° | 89.4° |
| F2 | C15 | F3 | C12 | 125.1° | 120.0° |
| F2 | C15 | C12 | C13 | 169.6° | 150.0° |
| F2 | C15 | C12 | C11 | 11.6° | 30.6° |
| F3 | C15 | C12 | C13 | 69.3° | 30.0° |
| F3 | C15 | C12 | C11 | 109.5° | 150.6° |
| C15 | C12 | C13 | C11 | 178.9° | 179.4° |
| C15 | C12 | C13 | C14 | 178.4° | 180.0° |
| C15 | C12 | C11 | N2 | 179.8° | 179.7° |
| C15 | C12 | C11 | H2 | 0.2° | 0.4° |
| C15 | C12 | C13 | H6 | 1.6° | 0.1° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C13 | C12 | C11 | N2 | 1.0° | 0.9° |
| C12 | C13 | C14 | C10 | 3.1° | 0.1° |
| C12 | C13 | C14 | CL1 | 179.6° | 179.8° |
| C13 | C12 | C11 | H2 | 179.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.4° | 0.6° |
| C12 | C11 | N2 | H2 | 180.0° | 179.3° |
| C12 | C11 | N2 | C10 | 0.4° | 0.6° |
| C11 | C12 | C13 | H6 | 179.6° | 179.5° |
| C13 | C14 | C10 | CL1 | 176.4° | 179.8° |
| C13 | C14 | C10 | N2 | 4.8° | 0.2° |
| C13 | C14 | C10 | C3 | 175.7° | 179.8° |
| C11 | N2 | C10 | C14 | 3.4° | 0.1° |
| C11 | N2 | C10 | C3 | 175.0° | 179.9° |
| C14 | C10 | N2 | C3 | 171.7° | 180.0° |
| C14 | C10 | C3 | C4 | 125.7° | 53.8° |
| C14 | C10 | C3 | C2 | 58.9° | 126.6° |
| C10 | C14 | C13 | H6 | 176.8° | 180.0° |
| CL1 | C14 | C10 | N2 | 178.9° | 180.0° |
| CL1 | C14 | C10 | C3 | 7.9° | 0.0° |
| CL1 | C14 | C13 | H6 | 0.4° | 0.2° |
| N2 | C10 | C3 | C4 | 62.8° | 126.2° |
| N2 | C10 | C3 | C2 | 112.7° | 53.4° |
| C10 | N2 | C11 | H2 | 179.6° | 179.9° |
| C10 | C3 | C4 | C2 | 176.1° | 179.6° |
| C10 | C3 | C4 | C9 | 3.5° | 0.2° |
| C10 | C3 | C4 | C5 | 177.6° | 180.0° |
| C10 | C3 | C2 | C1 | 3.5° | 0.0° |
| C10 | C3 | C2 | N1 | 177.0° | 180.0° |
| C3 | C4 | C9 | C5 | 178.8° | 179.8° |
| C3 | C4 | C9 | C8 | 178.0° | 179.7° |
| C4 | C3 | C2 | C1 | 179.6° | 179.6° |
| C4 | C3 | C2 | N1 | 0.9° | 0.4° |
| C3 | C4 | C5 | N1 | 1.4° | 0.2° |
| C3 | C4 | C5 | C6 | 178.9° | 179.8° |
| C3 | C4 | C9 | H5 | 2.0° | 0.3° |
| C2 | C3 | C4 | C9 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 1.4° | 0.3° |
| C3 | C2 | C1 | N1 | 179.5° | 180.0° |
| C3 | C2 | N1 | C5 | 0.0° | 0.3° |
| C3 | C2 | N1 | H7 | 180.0° | 179.8° |
| C3 | C2 | C1 | H8 | 90.3° | 84.8° |
| C3 | C2 | C1 | H9 | 149.7° | 155.2° |
| C3 | C2 | C1 | H10 | 29.7° | 35.2° |
| C4 | C9 | C8 | H5 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 1.2° | 0.1° |
| C9 | C4 | C5 | N1 | 179.5° | 180.0° |
| C9 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C9 | C8 | H4 | 178.8° | 179.9° |
| C8 | C9 | C4 | C5 | 0.8° | 0.1° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.0° |
| C9 | C8 | C7 | H3 | 179.0° | 179.9° |
| C4 | C5 | N1 | C2 | 0.9° | 0.0° |
| C4 | C5 | N1 | C6 | 179.6° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C5 | C4 | C9 | H5 | 179.2° | 180.0° |
| C4 | C5 | N1 | H7 | 179.1° | 179.9° |
| C1 | C2 | N1 | C5 | 179.6° | 179.7° |
| C1 | C2 | N1 | H7 | 0.4° | 0.2° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | N1 | C5 | H7 | 180.0° | 179.9° |
| C2 | N1 | C5 | C6 | 179.5° | 180.0° |
| N1 | C2 | C1 | H8 | 90.2° | 95.2° |
| N1 | C2 | C1 | H9 | 29.8° | 24.8° |
| N1 | C2 | C1 | H10 | 149.8° | 144.8° |
| C8 | C7 | C6 | C5 | 0.4° | 0.1° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | H1 | 179.6° | 179.9° |
| C7 | C8 | C9 | H5 | 178.8° | 180.0° |
| N1 | C5 | C6 | C7 | 179.6° | 179.9° |
| N1 | C5 | C6 | H1 | 0.4° | 0.0° |
| C5 | C6 | C7 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | H3 | 179.6° | 180.0° |
| C6 | C5 | N1 | H7 | 0.5° | 0.1° |
| C6 | C7 | C8 | H4 | 179.0° | 180.0° |
| H1 | C6 | C7 | H3 | 0.4° | 0.1° |
| H3 | C7 | C8 | H4 | 1.0° | 0.1° |
| H4 | C8 | C9 | H5 | 1.2° | 0.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
