TLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.35Å | 1.37Å | Aromatic |
| N | C2 | sing | 1.38Å | 1.35Å | Aromatic |
| N | C7 | sing | 1.46Å | 1.45Å | |
| C1 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | C5 | sing | 1.51Å | 1.47Å | |
| O1 | C6 | doub | 1.22Å | 1.25Å | |
| C2 | C4 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C6 | sing | 1.46Å | 1.48Å | |
| O2 | C14 | sing | 1.34Å | 1.36Å | |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| O3 | C14 | doub | 1.21Å | 1.22Å | |
| C5 | C14 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.48Å | 1.46Å | |
| C8 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C15 | sing | 1.51Å | 1.50Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | C2 | 107.8° | 108.7° |
| C1 | N | C7 | 124.2° | 125.7° |
| N | C1 | C3 | 108.4° | 108.9° |
| N | C1 | C5 | 121.6° | 125.6° |
| C2 | N | C7 | 128.0° | 125.7° |
| N | C2 | C4 | 110.7° | 107.5° |
| N | C2 | C6 | 124.1° | 126.3° |
| N | C7 | H7 | 109.5° | 109.5° |
| N | C7 | H7A | 109.5° | 109.5° |
| N | C7 | H7B | 109.4° | 109.5° |
| C3 | C1 | C5 | 129.9° | 125.5° |
| C1 | C3 | C4 | 106.7° | 107.9° |
| C1 | C3 | H3 | 126.6° | 126.1° |
| C1 | C5 | C14 | 112.4° | 109.5° |
| C1 | C5 | H5 | 108.5° | 109.5° |
| C1 | C5 | H5A | 108.5° | 109.5° |
| O1 | C6 | C2 | 122.4° | 120.0° |
| O1 | C6 | C8 | 118.2° | 120.0° |
| C4 | C2 | C6 | 125.1° | 126.3° |
| C2 | C4 | C3 | 106.3° | 107.1° |
| C2 | C4 | H4 | 126.9° | 126.4° |
| C2 | C6 | C8 | 119.4° | 120.0° |
| O2 | C14 | O3 | 123.6° | 120.0° |
| O2 | C14 | C5 | 115.0° | 120.1° |
| C14 | O2 | HO2 | 109.5° | 117.1° |
| C4 | C3 | H3 | 126.6° | 126.0° |
| C3 | C4 | H4 | 126.8° | 126.5° |
| O3 | C14 | C5 | 121.4° | 120.0° |
| C14 | C5 | H5 | 108.5° | 109.5° |
| C14 | C5 | H5A | 108.5° | 109.4° |
| C6 | C8 | C9 | 120.4° | 120.2° |
| C6 | C8 | C10 | 120.0° | 120.1° |
| C9 | C8 | C10 | 119.6° | 119.7° |
| C8 | C9 | C12 | 120.3° | 119.9° |
| C8 | C9 | H9 | 119.9° | 120.1° |
| C8 | C10 | C13 | 120.3° | 119.9° |
| C8 | C10 | H10 | 119.9° | 120.1° |
| C9 | C12 | C11 | 119.8° | 120.1° |
| C12 | C9 | H9 | 119.9° | 120.0° |
| C9 | C12 | H12 | 120.1° | 119.9° |
| C10 | C13 | C11 | 120.1° | 120.1° |
| C13 | C10 | H10 | 119.8° | 120.1° |
| C10 | C13 | H13 | 119.9° | 120.0° |
| C12 | C11 | C13 | 119.9° | 120.3° |
| C12 | C11 | C15 | 120.3° | 119.8° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C13 | C11 | C15 | 119.8° | 119.9° |
| C11 | C13 | H13 | 119.9° | 119.9° |
| C11 | C15 | H15 | 109.5° | 109.4° |
| C11 | C15 | H15A | 109.5° | 109.4° |
| C11 | C15 | H15B | 109.5° | 109.5° |
| H5 | C5 | H5A | 110.4° | 109.4° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | C2 | C7 | 179.8° | 179.7° |
| N | C1 | C3 | C5 | 178.8° | 179.9° |
| C1 | N | C2 | C4 | 0.0° | 0.0° |
| C1 | N | C2 | C6 | 179.9° | 180.0° |
| N | C1 | C3 | C4 | 0.3° | 0.1° |
| N | C1 | C5 | C14 | 82.1° | 95.0° |
| N | C1 | C3 | H3 | 179.7° | 180.0° |
| N | C1 | C5 | H5 | 38.0° | 25.1° |
| N | C1 | C5 | H5A | 157.9° | 145.1° |
| C1 | N | C7 | H7 | 180.0° | 90.0° |
| C1 | N | C7 | H7A | 60.0° | 149.9° |
| C1 | N | C7 | H7B | 60.0° | 30.0° |
| C2 | N | C1 | C3 | 0.2° | 0.1° |
| C2 | N | C1 | C5 | 179.1° | 180.0° |
| N | C2 | C6 | O1 | 21.9° | 6.5° |
| N | C2 | C4 | C6 | 179.9° | 180.0° |
| N | C2 | C4 | C3 | 0.1° | 0.0° |
| N | C2 | C6 | C8 | 157.0° | 173.5° |
| N | C2 | C4 | H4 | 179.9° | 180.0° |
| C2 | N | C7 | H7 | 0.2° | 90.3° |
| C2 | N | C7 | H7A | 120.2° | 29.7° |
| C2 | N | C7 | H7B | 119.8° | 149.6° |
| C7 | N | C1 | C3 | 180.0° | 179.8° |
| C7 | N | C1 | C5 | 1.1° | 0.3° |
| C7 | N | C2 | C4 | 179.8° | 179.7° |
| C7 | N | C2 | C6 | 0.1° | 0.3° |
| N | C7 | H7 | H7A | 120.0° | 120.0° |
| N | C7 | H7 | H7B | 120.0° | 120.0° |
| N | C7 | H7A | H7B | 120.0° | 120.0° |
| C1 | C3 | C4 | C2 | 0.3° | 0.1° |
| C1 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C1 | C5 | C14 | 99.3° | 84.9° |
| C1 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C1 | C5 | H5 | 140.7° | 155.0° |
| C3 | C1 | C5 | H5A | 20.7° | 35.1° |
| C1 | C5 | C14 | O2 | 14.9° | 180.0° |
| C5 | C1 | C3 | C4 | 179.1° | 180.0° |
| C1 | C5 | C14 | O3 | 166.0° | 0.0° |
| C1 | C5 | C14 | H5 | 120.0° | 120.1° |
| C1 | C5 | C14 | H5A | 120.0° | 120.0° |
| C5 | C1 | C3 | H3 | 0.9° | 0.2° |
| C1 | C5 | H5 | H5A | 118.8° | 120.0° |
| O1 | C6 | C2 | C4 | 158.0° | 173.5° |
| O1 | C6 | C2 | C8 | 178.9° | 180.0° |
| O1 | C6 | C8 | C9 | 118.6° | 28.0° |
| O1 | C6 | C8 | C10 | 61.2° | 151.8° |
| C2 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C2 | C6 | C8 | 23.1° | 6.5° |
| C2 | C4 | C3 | H3 | 179.7° | 179.9° |
| C6 | C2 | C4 | C3 | 179.9° | 180.0° |
| C2 | C6 | C8 | C9 | 60.3° | 152.0° |
| C2 | C6 | C8 | C10 | 119.9° | 28.2° |
| C6 | C2 | C4 | H4 | 0.1° | 0.0° |
| O2 | C14 | O3 | C5 | 179.1° | 180.0° |
| O2 | C14 | C5 | H5 | 134.9° | 59.9° |
| O2 | C14 | C5 | H5A | 105.1° | 60.0° |
| O3 | C14 | O2 | HO2 | 0.0° | 0.0° |
| O3 | C14 | C5 | H5 | 45.9° | 120.0° |
| O3 | C14 | C5 | H5A | 74.0° | 120.0° |
| C5 | C14 | O2 | HO2 | 179.1° | 180.0° |
| C14 | C5 | H5 | H5A | 118.8° | 119.9° |
| C6 | C8 | C9 | C10 | 179.8° | 179.7° |
| C6 | C8 | C9 | C12 | 180.0° | 180.0° |
| C6 | C8 | C10 | C13 | 179.8° | 180.0° |
| C6 | C8 | C9 | H9 | 0.0° | 0.0° |
| C6 | C8 | C10 | H10 | 0.2° | 0.0° |
| C8 | C9 | C12 | H9 | 180.0° | 180.0° |
| C9 | C8 | C10 | C13 | 0.3° | 0.3° |
| C8 | C9 | C12 | C11 | 0.2° | 0.0° |
| C9 | C8 | C10 | H10 | 179.7° | 179.7° |
| C8 | C9 | C12 | H12 | 179.7° | 180.0° |
| C10 | C8 | C9 | C12 | 0.2° | 0.3° |
| C8 | C10 | C13 | H10 | 180.0° | 180.0° |
| C8 | C10 | C13 | C11 | 0.0° | 0.0° |
| C10 | C8 | C9 | H9 | 179.8° | 179.7° |
| C8 | C10 | C13 | H13 | 179.9° | 179.9° |
| C9 | C12 | C11 | H12 | 180.0° | 180.0° |
| C9 | C12 | C11 | C13 | 0.5° | 0.3° |
| C9 | C12 | C11 | C15 | 179.9° | 180.0° |
| C10 | C13 | C11 | C12 | 0.4° | 0.3° |
| C10 | C13 | C11 | H13 | 180.0° | 179.9° |
| C10 | C13 | C11 | C15 | 179.7° | 180.0° |
| C12 | C11 | C13 | C15 | 179.4° | 179.7° |
| C11 | C12 | C9 | H9 | 179.8° | 180.0° |
| C12 | C11 | C13 | H13 | 179.6° | 179.8° |
| C12 | C11 | C15 | H15 | 89.7° | 90.0° |
| C12 | C11 | C15 | H15A | 150.3° | 150.0° |
| C12 | C11 | C15 | H15B | 30.3° | 30.0° |
| C11 | C13 | C10 | H10 | 179.9° | 180.0° |
| C13 | C11 | C12 | H12 | 179.5° | 179.7° |
| C13 | C11 | C15 | H15 | 89.7° | 89.7° |
| C13 | C11 | C15 | H15A | 30.3° | 30.3° |
| C13 | C11 | C15 | H15B | 150.3° | 150.3° |
| C15 | C11 | C12 | H12 | 0.1° | 0.1° |
| C15 | C11 | C13 | H13 | 0.3° | 0.0° |
| C11 | C15 | H15 | H15A | 120.0° | 119.9° |
| C11 | C15 | H15 | H15B | 120.0° | 120.0° |
| C11 | C15 | H15A | H15B | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.1° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H9 | C9 | C12 | H12 | 0.2° | 0.0° |
| H10 | C10 | C13 | H13 | 0.1° | 0.1° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
