245
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL7 | C7 | sing | 1.74Å | 1.73Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C8 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| C1 | N9 | sing | 1.35Å | 1.33Å | |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| C10 | N9 | sing | 1.40Å | 1.33Å | |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.40Å | 1.33Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL7 | C7 | C8 | 119.8° | 119.6° |
| CL7 | C7 | N6 | 119.7° | 119.6° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | C10 | 120.2° | 119.9° |
| C12 | C11 | H11 | 119.9° | 120.1° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C8 | C7 | N6 | 120.4° | 120.8° |
| C7 | C8 | C3 | 119.2° | 119.1° |
| C7 | C8 | H8 | 120.4° | 120.5° |
| C7 | N6 | C5 | 121.7° | 121.9° |
| C11 | C10 | N9 | 121.3° | 120.1° |
| C11 | C10 | C15 | 119.7° | 119.8° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.1° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| C13 | C14 | H14 | 120.1° | 119.9° |
| O1 | C1 | N9 | 122.1° | 120.0° |
| O1 | C1 | N2 | 122.0° | 120.0° |
| C8 | C3 | N2 | 121.9° | 120.8° |
| C8 | C3 | C4 | 118.6° | 118.3° |
| C3 | C8 | H8 | 120.4° | 120.5° |
| N6 | C5 | C4 | 120.6° | 120.8° |
| N6 | C5 | H5 | 119.7° | 119.6° |
| N9 | C1 | N2 | 115.8° | 120.0° |
| C1 | N9 | C10 | 123.0° | 120.1° |
| C1 | N9 | HN9 | 118.5° | 120.0° |
| C1 | N2 | C3 | 123.3° | 120.0° |
| C1 | N2 | HN2 | 118.3° | 120.0° |
| N9 | C10 | C15 | 118.9° | 120.1° |
| C10 | N9 | HN9 | 118.5° | 120.0° |
| C10 | C15 | C14 | 120.3° | 120.0° |
| C10 | C15 | H15 | 119.9° | 120.0° |
| N2 | C3 | C4 | 119.5° | 120.9° |
| C3 | N2 | HN2 | 118.4° | 120.0° |
| C3 | C4 | C5 | 119.5° | 119.2° |
| C3 | C4 | H4 | 120.3° | 120.4° |
| C5 | C4 | H4 | 120.2° | 120.5° |
| C4 | C5 | H5 | 119.7° | 119.6° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL7 | C7 | C8 | N6 | 179.6° | 179.5° |
| CL7 | C7 | C8 | C3 | 179.4° | 180.0° |
| CL7 | C7 | N6 | C5 | 179.5° | 179.7° |
| CL7 | C7 | C8 | H8 | 0.6° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C10 | N9 | 178.1° | 180.0° |
| C12 | C11 | C10 | C15 | 0.1° | 0.2° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.9° |
| C7 | C8 | C3 | H8 | 180.0° | 180.0° |
| C8 | C7 | N6 | C5 | 0.0° | 0.2° |
| C7 | C8 | C3 | N2 | 176.6° | 179.8° |
| C7 | C8 | C3 | C4 | 0.3° | 0.5° |
| N6 | C7 | C8 | C3 | 0.2° | 0.5° |
| C7 | N6 | C5 | C4 | 0.0° | 0.1° |
| C7 | N6 | C5 | H5 | 180.0° | 180.0° |
| N6 | C7 | C8 | H8 | 179.8° | 179.5° |
| C11 | C10 | N9 | C1 | 1.8° | 36.3° |
| C11 | C10 | N9 | C15 | 178.2° | 179.8° |
| C11 | C10 | C15 | C14 | 0.0° | 0.5° |
| C11 | C10 | N9 | HN9 | 178.2° | 143.7° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C10 | C15 | H15 | 180.0° | 179.7° |
| C13 | C14 | C15 | C10 | 0.1° | 0.5° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.9° | 179.7° |
| O1 | C1 | N9 | N2 | 178.3° | 179.8° |
| O1 | C1 | N9 | C10 | 2.6° | 4.2° |
| O1 | C1 | N2 | C3 | 2.9° | 4.4° |
| O1 | C1 | N2 | HN2 | 177.2° | 175.6° |
| O1 | C1 | N9 | HN9 | 177.4° | 175.8° |
| C8 | C3 | N2 | C1 | 3.6° | 145.3° |
| C8 | C3 | N2 | C4 | 176.8° | 179.6° |
| C8 | C3 | C4 | C5 | 0.2° | 0.3° |
| C8 | C3 | N2 | HN2 | 176.4° | 34.7° |
| C8 | C3 | C4 | H4 | 179.8° | 179.8° |
| N6 | C5 | C4 | C3 | 0.1° | 0.0° |
| N6 | C5 | C4 | H5 | 180.0° | 179.9° |
| N6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C1 | N9 | C10 | HN9 | 180.0° | 180.0° |
| C1 | N9 | C10 | C15 | 180.0° | 143.9° |
| N9 | C1 | N2 | C3 | 178.8° | 175.4° |
| N9 | C1 | N2 | HN2 | 1.1° | 4.6° |
| N2 | C1 | N9 | C10 | 179.1° | 175.6° |
| C1 | N2 | C3 | HN2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 173.2° | 34.3° |
| N2 | C1 | N9 | HN9 | 0.9° | 4.4° |
| N9 | C10 | C15 | C14 | 178.2° | 179.7° |
| N9 | C10 | C11 | H11 | 1.9° | 0.0° |
| N9 | C10 | C15 | H15 | 1.8° | 0.1° |
| C10 | C15 | C14 | H15 | 180.0° | 179.8° |
| C15 | C10 | N9 | HN9 | 0.0° | 36.1° |
| C15 | C10 | C11 | H11 | 179.9° | 179.8° |
| C10 | C15 | C14 | H14 | 179.9° | 179.7° |
| N2 | C3 | C4 | C5 | 176.7° | 179.9° |
| N2 | C3 | C4 | H4 | 3.3° | 0.1° |
| N2 | C3 | C8 | H8 | 3.4° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | N2 | HN2 | 6.8° | 145.6° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C8 | H8 | 179.7° | 179.4° |
| C15 | C14 | C13 | H13 | 179.9° | 179.8° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.1° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
