0NJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C3 | sing | 1.35Å | 1.40Å | Aromatic |
| N9 | C8 | doub | 1.29Å | 1.34Å | Aromatic |
| C10 | C8 | sing | 1.48Å | 1.49Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | S7 | sing | 1.76Å | 1.72Å | Aromatic |
| C11 | F16 | sing | 1.35Å | 1.33Å | |
| C2 | S7 | sing | 1.76Å | 1.75Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | O17 | sing | 1.36Å | 1.38Å | |
| O17 | C18 | sing | 1.43Å | 1.38Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 121.0° | 120.2° |
| C14 | C15 | C10 | 119.9° | 119.8° |
| C15 | C14 | H3 | 119.5° | 119.9° |
| C14 | C15 | H4 | 120.0° | 120.1° |
| C14 | C13 | C12 | 119.1° | 120.3° |
| C14 | C13 | H2 | 120.4° | 119.9° |
| C13 | C14 | H3 | 119.5° | 119.9° |
| C15 | C10 | C8 | 119.8° | 120.1° |
| C15 | C10 | C11 | 119.8° | 119.7° |
| C10 | C15 | H4 | 120.1° | 120.1° |
| C13 | C12 | C11 | 120.1° | 120.1° |
| C13 | C12 | H1 | 120.0° | 119.9° |
| C12 | C13 | H2 | 120.4° | 119.8° |
| C3 | C4 | C5 | 120.2° | 120.6° |
| C4 | C3 | N9 | 124.4° | 128.7° |
| C4 | C3 | C2 | 121.7° | 118.4° |
| C3 | C4 | H5 | 119.9° | 119.7° |
| C4 | C5 | C6 | 119.1° | 120.7° |
| C5 | C4 | H5 | 119.9° | 119.7° |
| C4 | C5 | H6 | 120.4° | 119.6° |
| C3 | N9 | C8 | 116.5° | 117.9° |
| N9 | C3 | C2 | 113.9° | 112.9° |
| N9 | C8 | C10 | 122.1° | 124.8° |
| N9 | C8 | S7 | 107.6° | 110.4° |
| C8 | C10 | C11 | 120.3° | 120.2° |
| C10 | C8 | S7 | 130.1° | 124.8° |
| C10 | C11 | C12 | 120.1° | 119.8° |
| C10 | C11 | F16 | 119.1° | 120.1° |
| C12 | C11 | F16 | 120.8° | 120.1° |
| C11 | C12 | H1 | 120.0° | 120.0° |
| C3 | C2 | S7 | 106.1° | 108.4° |
| C3 | C2 | C1 | 117.5° | 120.4° |
| C5 | C6 | C1 | 120.0° | 119.9° |
| C5 | C6 | O17 | 119.0° | 120.0° |
| C6 | C5 | H6 | 120.5° | 119.7° |
| C8 | S7 | C2 | 95.8° | 90.4° |
| S7 | C2 | C1 | 136.5° | 131.3° |
| C2 | C1 | C6 | 121.6° | 120.0° |
| C2 | C1 | H7 | 119.2° | 120.0° |
| C1 | C6 | O17 | 121.1° | 120.0° |
| C6 | C1 | H7 | 119.2° | 120.0° |
| C6 | O17 | C18 | 120.9° | 117.0° |
| O17 | C18 | H8 | 109.5° | 109.4° |
| O17 | C18 | H9 | 109.5° | 109.5° |
| O17 | C18 | H10 | 109.5° | 109.4° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H3 | 180.0° | 179.7° |
| C14 | C15 | C10 | H4 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C14 | C15 | C10 | C8 | 176.8° | 180.0° |
| C14 | C15 | C10 | C11 | 0.8° | 0.6° |
| C15 | C14 | C13 | H2 | 179.6° | 180.0° |
| C13 | C14 | C15 | C10 | 0.3° | 0.3° |
| C14 | C13 | C12 | H2 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.2° | 0.0° |
| C14 | C13 | C12 | H1 | 178.8° | 180.0° |
| C13 | C14 | C15 | H4 | 179.7° | 180.0° |
| C15 | C10 | C8 | N9 | 11.1° | 0.2° |
| C15 | C10 | C8 | C11 | 176.0° | 179.4° |
| C15 | C10 | C11 | C12 | 1.5° | 0.6° |
| C15 | C10 | C8 | S7 | 175.2° | 180.0° |
| C15 | C10 | C11 | F16 | 179.2° | 179.8° |
| C10 | C15 | C14 | H3 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 1.7° | 0.3° |
| C13 | C12 | C11 | H1 | 180.0° | 179.9° |
| C13 | C12 | C11 | F16 | 179.0° | 180.0° |
| C12 | C13 | C14 | H3 | 179.5° | 179.7° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C3 | N9 | C2 | 179.2° | 179.6° |
| C4 | C3 | N9 | C8 | 178.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C4 | C3 | C2 | S7 | 179.8° | 179.8° |
| C4 | C3 | C2 | C1 | 0.9° | 0.1° |
| C3 | C4 | C5 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | N9 | 178.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.4° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.9° |
| C4 | C5 | C6 | O17 | 179.5° | 180.0° |
| C3 | N9 | C8 | C10 | 178.5° | 179.8° |
| C3 | N9 | C8 | S7 | 3.5° | 0.5° |
| N9 | C3 | C2 | S7 | 0.6° | 0.2° |
| N9 | C3 | C2 | C1 | 178.4° | 179.8° |
| N9 | C3 | C4 | H5 | 1.3° | 0.1° |
| N9 | C8 | C10 | S7 | 173.7° | 179.7° |
| N9 | C8 | C10 | C11 | 165.0° | 179.2° |
| C8 | N9 | C3 | C2 | 2.8° | 0.4° |
| N9 | C8 | S7 | C2 | 2.6° | 0.3° |
| C8 | C10 | C11 | C12 | 177.5° | 180.0° |
| C8 | C10 | C11 | F16 | 3.1° | 0.4° |
| C10 | C8 | S7 | C2 | 177.1° | 180.0° |
| C8 | C10 | C15 | H4 | 3.1° | 0.3° |
| C10 | C11 | C12 | F16 | 179.3° | 179.6° |
| C11 | C10 | C8 | S7 | 8.8° | 0.6° |
| C10 | C11 | C12 | H1 | 178.3° | 179.8° |
| C11 | C10 | C15 | H4 | 179.2° | 179.7° |
| C11 | C12 | C13 | H2 | 178.8° | 180.0° |
| C3 | C2 | S7 | C8 | 1.2° | 0.1° |
| C3 | C2 | S7 | C1 | 178.6° | 179.9° |
| C3 | C2 | C1 | C6 | 0.9° | 0.7° |
| C2 | C3 | C4 | H5 | 179.5° | 179.5° |
| C3 | C2 | C1 | H7 | 179.1° | 180.0° |
| C5 | C6 | C1 | C2 | 0.5° | 1.2° |
| C5 | C6 | C1 | O17 | 179.5° | 179.0° |
| C5 | C6 | O17 | C18 | 157.9° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C5 | C6 | C1 | H7 | 179.5° | 179.4° |
| C8 | S7 | C2 | C1 | 179.8° | 180.0° |
| F16 | C11 | C12 | H1 | 1.0° | 0.1° |
| S7 | C2 | C1 | C6 | 179.4° | 179.4° |
| S7 | C2 | C1 | H7 | 0.6° | 0.1° |
| C2 | C1 | C6 | H7 | 180.0° | 179.4° |
| C2 | C1 | C6 | O17 | 179.0° | 179.8° |
| C1 | C6 | O17 | C18 | 22.6° | 179.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.1° |
| O17 | C6 | C5 | H6 | 0.5° | 0.0° |
| O17 | C6 | C1 | H7 | 1.0° | 0.4° |
| C6 | O17 | C18 | H8 | 180.0° | 60.1° |
| C6 | O17 | C18 | H9 | 60.0° | 59.9° |
| C6 | O17 | C18 | H10 | 60.0° | 180.0° |
| O17 | C18 | H8 | H9 | 120.0° | 120.0° |
| O17 | C18 | H8 | H10 | 120.0° | 119.9° |
| O17 | C18 | H9 | H10 | 120.0° | 120.0° |
| H1 | C12 | C13 | H2 | 1.2° | 0.1° |
| H2 | C13 | C14 | H3 | 0.5° | 0.3° |
| H3 | C14 | C15 | H4 | 0.3° | 0.3° |
| H5 | C4 | C5 | H6 | 0.0° | 0.0° |
| H8 | C18 | H9 | H10 | 120.0° | 120.1° |
