TN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | N17 | sing | 1.22Å | 1.22Å | |
| N17 | O18 | doub | 1.22Å | 1.22Å | |
| N17 | C14 | sing | 1.48Å | 1.41Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | CL12 | sing | 1.74Å | 1.78Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | O9 | sing | 1.36Å | 1.36Å | |
| O9 | C6 | sing | 1.36Å | 1.36Å | |
| C6 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | O5 | sing | 1.36Å | 1.37Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | CL20 | sing | 1.74Å | 1.79Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | N17 | O18 | 118.3° | 120.0° |
| O19 | N17 | C14 | 119.7° | 120.0° |
| O18 | N17 | C14 | 121.9° | 120.0° |
| N17 | C14 | C13 | 120.5° | 119.9° |
| N17 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | C15 | 119.3° | 120.1° |
| C14 | C13 | C11 | 118.3° | 120.0° |
| C14 | C13 | H13 | 120.8° | 120.0° |
| C14 | C15 | C16 | 122.0° | 120.1° |
| C14 | C15 | H15 | 119.0° | 119.9° |
| C11 | C13 | H13 | 120.8° | 120.0° |
| C13 | C11 | CL12 | 119.6° | 120.1° |
| C13 | C11 | C10 | 122.2° | 119.9° |
| CL12 | C11 | C10 | 118.2° | 120.0° |
| C11 | C10 | C16 | 120.2° | 119.9° |
| C11 | C10 | O9 | 118.4° | 120.1° |
| C16 | C15 | H15 | 119.0° | 120.0° |
| C15 | C16 | C10 | 118.0° | 119.9° |
| C15 | C16 | H16 | 121.0° | 120.0° |
| C10 | C16 | H16 | 121.0° | 120.1° |
| C16 | C10 | O9 | 121.3° | 120.0° |
| C10 | O9 | C6 | 124.2° | 106.8° |
| O9 | C6 | C4 | 118.9° | 120.1° |
| O9 | C6 | C7 | 119.9° | 120.0° |
| C4 | C6 | C7 | 121.2° | 119.9° |
| C6 | C4 | O5 | 121.5° | 120.0° |
| C6 | C4 | C3 | 118.6° | 119.9° |
| C6 | C7 | C8 | 119.8° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| O5 | C4 | C3 | 119.9° | 120.1° |
| C4 | O5 | HO5 | 109.5° | 106.7° |
| C4 | C3 | C2 | 120.6° | 120.0° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C3 | C2 | C8 | 120.7° | 120.1° |
| C3 | C2 | CL20 | 118.4° | 119.9° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | C2 | 119.0° | 120.2° |
| C7 | C8 | H8 | 120.5° | 119.9° |
| C2 | C8 | H8 | 120.5° | 119.9° |
| C8 | C2 | CL20 | 120.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | N17 | O18 | C14 | 176.5° | 180.0° |
| O19 | N17 | C14 | C13 | 8.9° | 180.0° |
| O19 | N17 | C14 | C15 | 168.3° | 0.1° |
| O18 | N17 | C14 | C13 | 174.6° | 0.0° |
| O18 | N17 | C14 | C15 | 8.2° | 180.0° |
| N17 | C14 | C13 | C15 | 177.2° | 180.0° |
| N17 | C14 | C13 | C11 | 178.0° | 179.6° |
| N17 | C14 | C13 | H13 | 2.0° | 0.0° |
| N17 | C14 | C15 | C16 | 178.7° | 180.0° |
| N17 | C14 | C15 | H15 | 1.3° | 0.1° |
| C14 | C13 | C11 | H13 | 180.0° | 179.7° |
| C14 | C13 | C11 | CL12 | 179.2° | 180.0° |
| C14 | C13 | C11 | C10 | 0.4° | 0.7° |
| C13 | C14 | C15 | C16 | 1.4° | 0.1° |
| C13 | C14 | C15 | H15 | 178.5° | 180.0° |
| C15 | C14 | C13 | C11 | 0.8° | 0.3° |
| C15 | C14 | C13 | H13 | 179.2° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C10 | 0.9° | 0.1° |
| C14 | C15 | C16 | H16 | 179.1° | 180.0° |
| C13 | C11 | CL12 | C10 | 178.8° | 179.3° |
| C13 | C11 | C10 | C16 | 1.0° | 0.6° |
| C13 | C11 | C10 | O9 | 179.9° | 179.7° |
| H13 | C13 | C11 | CL12 | 0.8° | 0.3° |
| H13 | C13 | C11 | C10 | 179.6° | 179.6° |
| CL12 | C11 | C10 | C16 | 179.8° | 180.0° |
| CL12 | C11 | C10 | O9 | 1.3° | 0.3° |
| C11 | C10 | C16 | C15 | 0.4° | 0.3° |
| C11 | C10 | C16 | O9 | 178.9° | 179.7° |
| C11 | C10 | C16 | H16 | 179.6° | 179.7° |
| C11 | C10 | O9 | C6 | 154.4° | 174.1° |
| C15 | C16 | C10 | H16 | 180.0° | 179.9° |
| C15 | C16 | C10 | O9 | 179.2° | 179.9° |
| H15 | C15 | C16 | C10 | 179.1° | 180.0° |
| H15 | C15 | C16 | H16 | 0.9° | 0.1° |
| C16 | C10 | O9 | C6 | 26.7° | 6.2° |
| H16 | C16 | C10 | O9 | 0.8° | 0.0° |
| C10 | O9 | C6 | C4 | 102.7° | 80.7° |
| C10 | O9 | C6 | C7 | 79.0° | 98.9° |
| O9 | C6 | C4 | C7 | 178.3° | 179.6° |
| O9 | C6 | C4 | O5 | 1.0° | 0.3° |
| O9 | C6 | C4 | C3 | 179.3° | 180.0° |
| O9 | C6 | C7 | C8 | 179.6° | 180.0° |
| O9 | C6 | C7 | H7 | 0.4° | 0.2° |
| C6 | C4 | O5 | C3 | 179.7° | 179.7° |
| C6 | C4 | O5 | HO5 | 68.0° | 90.3° |
| C6 | C4 | C3 | C2 | 0.2° | 0.2° |
| C6 | C4 | C3 | H3 | 179.8° | 179.8° |
| C4 | C6 | C7 | C8 | 1.4° | 0.4° |
| C4 | C6 | C7 | H7 | 178.6° | 179.8° |
| C7 | C6 | C4 | O5 | 179.3° | 179.8° |
| C7 | C6 | C4 | C3 | 1.0° | 0.5° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | C2 | 0.8° | 0.2° |
| C6 | C7 | C8 | H8 | 179.2° | 179.7° |
| O5 | C4 | C3 | C2 | 179.9° | 180.0° |
| O5 | C4 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | O5 | HO5 | 112.3° | 90.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C8 | 0.4° | 0.0° |
| C4 | C3 | C2 | CL20 | 179.3° | 180.0° |
| C3 | C2 | C8 | C7 | 0.1° | 0.1° |
| C3 | C2 | C8 | CL20 | 179.7° | 179.9° |
| C3 | C2 | C8 | H8 | 179.9° | 180.0° |
| H3 | C3 | C2 | C8 | 179.6° | 180.0° |
| H3 | C3 | C2 | CL20 | 0.7° | 0.0° |
| C7 | C8 | C2 | H8 | 180.0° | 179.9° |
| C7 | C8 | C2 | CL20 | 179.6° | 180.0° |
| H7 | C7 | C8 | C2 | 179.2° | 180.0° |
| H7 | C7 | C8 | H8 | 0.8° | 0.1° |
| H8 | C8 | C2 | CL20 | 0.4° | 0.1° |
