C0J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.52Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.32Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.52Å | Aromatic |
| C | F | sing | 1.35Å | 1.36Å | |
| C | C12 | doub | 1.40Å | 1.51Å | Aromatic |
| C4 | C12 | sing | 1.40Å | 1.34Å | Aromatic |
| C4 | N | sing | 1.39Å | 1.43Å | |
| C12 | C13 | sing | 1.43Å | 1.55Å | |
| N | C5 | sing | 1.46Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C13 | N2 | trip | 1.14Å | 1.15Å | |
| N1 | C11 | doub | 1.32Å | 1.49Å | Aromatic |
| N1 | C7 | sing | 1.32Å | 1.31Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.38Å | 1.32Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.52Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.50Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.29Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.8° | 120.4° |
| C2 | C1 | C | 118.6° | 120.4° |
| C1 | C2 | H1 | 119.6° | 119.8° |
| C2 | C1 | H | 120.7° | 119.8° |
| C2 | C3 | C4 | 119.2° | 120.1° |
| C2 | C3 | H2 | 120.4° | 119.9° |
| C3 | C2 | H1 | 119.6° | 119.8° |
| C1 | C | F | 118.3° | 120.1° |
| C1 | C | C12 | 122.0° | 119.8° |
| C | C1 | H | 120.7° | 119.8° |
| C3 | C4 | C12 | 119.8° | 119.7° |
| C3 | C4 | N | 119.1° | 120.1° |
| C4 | C3 | H2 | 120.4° | 120.0° |
| F | C | C12 | 119.6° | 120.1° |
| C | C12 | C4 | 119.5° | 119.5° |
| C | C12 | C13 | 116.4° | 120.2° |
| C12 | C4 | N | 121.1° | 120.2° |
| C4 | C12 | C13 | 124.0° | 120.2° |
| C4 | N | C5 | 122.8° | 120.0° |
| C4 | N | H3 | 106.1° | 120.0° |
| C12 | C13 | N2 | 178.5° | 180.0° |
| N | C5 | C6 | 109.2° | 109.5° |
| N | C5 | H5 | 109.5° | 109.5° |
| N | C5 | H4 | 109.6° | 109.5° |
| C5 | N | H3 | 106.1° | 120.0° |
| C5 | C6 | C7 | 107.9° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C6 | C5 | H4 | 109.5° | 109.4° |
| C5 | C6 | H6 | 109.9° | 109.5° |
| C5 | C6 | H7 | 109.9° | 109.5° |
| C11 | N1 | C7 | 119.0° | 121.7° |
| N1 | C11 | C10 | 120.7° | 120.8° |
| N1 | C11 | H11 | 119.7° | 119.6° |
| N1 | C7 | C6 | 120.3° | 119.6° |
| N1 | C7 | C8 | 120.4° | 120.8° |
| C6 | C7 | C8 | 119.2° | 119.6° |
| C7 | C6 | H6 | 109.9° | 109.5° |
| C7 | C6 | H7 | 109.9° | 109.4° |
| C11 | C10 | C9 | 120.1° | 119.2° |
| C10 | C11 | H11 | 119.6° | 119.7° |
| C11 | C10 | H10 | 119.9° | 120.4° |
| C7 | C8 | C9 | 120.2° | 119.2° |
| C7 | C8 | H8 | 119.9° | 120.4° |
| C10 | C9 | C8 | 119.5° | 118.4° |
| C9 | C10 | H10 | 119.9° | 120.4° |
| C10 | C9 | H9 | 120.2° | 120.8° |
| C8 | C9 | H9 | 120.2° | 120.8° |
| C9 | C8 | H8 | 119.9° | 120.4° |
| H5 | C5 | H4 | 109.4° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H1 | 180.0° | 179.6° |
| C2 | C1 | C | H | 180.0° | 179.6° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C | F | 179.6° | 180.0° |
| C2 | C1 | C | C12 | 1.2° | 0.6° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C3 | C2 | C1 | C | 0.3° | 0.4° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C12 | 0.9° | 0.0° |
| C2 | C3 | C4 | N | 179.6° | 180.0° |
| C3 | C2 | C1 | H | 179.7° | 180.0° |
| C1 | C | F | C12 | 179.2° | 179.4° |
| C1 | C | C12 | C4 | 2.0° | 0.6° |
| C1 | C | C12 | C13 | 178.1° | 179.7° |
| C | C1 | C2 | H1 | 179.7° | 180.0° |
| C3 | C4 | C12 | C | 1.8° | 0.3° |
| C3 | C4 | C12 | N | 179.5° | 179.9° |
| C3 | C4 | C12 | C13 | 177.6° | 180.0° |
| C3 | C4 | N | C5 | 16.3° | 0.1° |
| C4 | C3 | C2 | H1 | 179.9° | 179.7° |
| C3 | C4 | N | H3 | 138.1° | 179.9° |
| F | C | C12 | C4 | 178.9° | 180.0° |
| F | C | C12 | C13 | 2.7° | 0.3° |
| F | C | C1 | H | 0.3° | 0.3° |
| C | C12 | C4 | C13 | 175.8° | 179.7° |
| C | C12 | C4 | N | 178.8° | 179.8° |
| C | C12 | C13 | N2 | 20.3° | 113.7° |
| C12 | C | C1 | H | 178.8° | 179.7° |
| C12 | C4 | N | C5 | 164.3° | 180.0° |
| C4 | C12 | C13 | N2 | 163.7° | 66.6° |
| C12 | C4 | C3 | H2 | 179.1° | 180.0° |
| C12 | C4 | N | H3 | 42.4° | 0.0° |
| N | C4 | C12 | C13 | 3.0° | 0.0° |
| C4 | N | C5 | H3 | 121.8° | 180.0° |
| C4 | N | C5 | C6 | 163.3° | 180.0° |
| C4 | N | C5 | H5 | 76.7° | 60.0° |
| C4 | N | C5 | H4 | 43.3° | 60.0° |
| N | C4 | C3 | H2 | 0.3° | 0.1° |
| N | C5 | C6 | H5 | 120.0° | 120.1° |
| N | C5 | C6 | H4 | 120.0° | 120.0° |
| N | C5 | C6 | C7 | 159.5° | 180.0° |
| N | C5 | H5 | H4 | 120.1° | 120.0° |
| N | C5 | C6 | H6 | 39.8° | 59.9° |
| N | C5 | C6 | H7 | 80.7° | 60.0° |
| C5 | C6 | C7 | N1 | 51.1° | 54.8° |
| C5 | C6 | C7 | H6 | 119.8° | 120.1° |
| C5 | C6 | C7 | H7 | 119.8° | 120.0° |
| C5 | C6 | C7 | C8 | 128.3° | 125.0° |
| C6 | C5 | H5 | H4 | 120.1° | 119.9° |
| C5 | C6 | H6 | H7 | 120.7° | 120.0° |
| C6 | C5 | N | H3 | 41.5° | 0.0° |
| C11 | N1 | C7 | C6 | 179.5° | 179.7° |
| N1 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | N1 | C7 | C8 | 0.1° | 0.5° |
| N1 | C11 | C10 | C9 | 0.7° | 0.2° |
| N1 | C11 | C10 | H10 | 179.3° | 179.7° |
| N1 | C7 | C6 | C8 | 179.4° | 179.8° |
| C7 | N1 | C11 | C10 | 0.5° | 0.5° |
| N1 | C7 | C8 | C9 | 0.1° | 0.2° |
| C7 | N1 | C11 | H11 | 179.4° | 179.8° |
| N1 | C7 | C8 | H8 | 179.9° | 179.8° |
| N1 | C7 | C6 | H6 | 170.8° | 65.2° |
| N1 | C7 | C6 | H7 | 68.7° | 174.8° |
| C6 | C7 | C8 | C9 | 179.2° | 180.0° |
| C6 | C7 | C8 | H8 | 0.7° | 0.0° |
| C7 | C6 | C5 | H5 | 80.5° | 59.9° |
| C7 | C6 | C5 | H4 | 39.5° | 60.0° |
| C7 | C6 | H6 | H7 | 120.7° | 120.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.4° | 0.1° |
| C11 | C10 | C9 | H9 | 179.6° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | H6 | 8.6° | 114.9° |
| C8 | C7 | C6 | H7 | 111.9° | 5.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 179.3° | 179.9° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C8 | C9 | C10 | H10 | 179.6° | 180.0° |
| H11 | C11 | C10 | H10 | 0.7° | 0.0° |
| H10 | C10 | C9 | H9 | 0.4° | 0.1° |
| H9 | C9 | C8 | H8 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 159.7° | 180.0° |
| H5 | C5 | C6 | H7 | 39.2° | 60.0° |
| H5 | C5 | N | H3 | 161.4° | 120.0° |
| H4 | C5 | C6 | H6 | 80.2° | 60.1° |
| H4 | C5 | C6 | H7 | 159.3° | 180.0° |
| H4 | C5 | N | H3 | 78.5° | 120.0° |
| H2 | C3 | C2 | H1 | 0.1° | 0.3° |
| H1 | C2 | C1 | H | 0.3° | 0.4° |
