A1L5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.39Å | 1.34Å | |
| N1 | C | doub | 1.30Å | 1.38Å | Aromatic |
| N1 | C1 | sing | 1.33Å | 1.39Å | Aromatic |
| C | S | sing | 1.71Å | 1.79Å | Aromatic |
| N2 | C1 | sing | 1.42Å | 1.33Å | |
| N2 | C2 | sing | 1.35Å | 1.37Å | |
| O | C2 | doub | 1.21Å | 1.25Å | |
| C1 | C11 | doub | 1.35Å | 1.47Å | Aromatic |
| C2 | C3 | sing | 1.50Å | 1.53Å | |
| C11 | S | sing | 1.75Å | 1.73Å | Aromatic |
| C11 | C4 | sing | 1.51Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C5 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | F | sing | 1.35Å | 1.34Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| N | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 124.4° | 124.8° |
| N | C | S | 116.7° | 124.9° |
| C | N | H9 | 109.5° | 120.0° |
| C | N | H10 | 109.5° | 120.0° |
| C | N1 | C1 | 102.6° | 117.4° |
| N1 | C | S | 118.9° | 110.3° |
| N1 | C1 | N2 | 125.9° | 126.5° |
| N1 | C1 | C11 | 122.6° | 113.3° |
| C | S | C11 | 89.9° | 90.3° |
| C1 | N2 | C2 | 124.9° | 118.5° |
| N2 | C1 | C11 | 111.4° | 120.2° |
| C1 | N2 | H6 | 117.6° | 120.8° |
| N2 | C2 | O | 118.1° | 118.9° |
| N2 | C2 | C3 | 125.9° | 122.2° |
| C2 | N2 | H6 | 117.5° | 120.7° |
| O | C2 | C3 | 116.0° | 118.9° |
| C1 | C11 | S | 106.0° | 108.7° |
| C1 | C11 | C4 | 128.8° | 123.5° |
| C2 | C3 | C4 | 110.2° | 110.7° |
| C2 | C3 | H7 | 109.3° | 109.2° |
| C2 | C3 | H8 | 109.3° | 109.2° |
| S | C11 | C4 | 124.0° | 127.8° |
| C11 | C4 | C3 | 111.8° | 108.4° |
| C11 | C4 | C5 | 118.4° | 109.7° |
| C11 | C4 | H1 | 99.6° | 109.7° |
| C3 | C4 | C5 | 121.8° | 109.7° |
| C3 | C4 | H1 | 99.3° | 109.7° |
| C4 | C3 | H7 | 109.3° | 109.2° |
| C4 | C3 | H8 | 109.3° | 109.2° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C6 | C5 | C4 | 124.8° | 120.0° |
| C6 | C5 | C8 | 118.6° | 120.0° |
| C5 | C6 | H2 | 119.5° | 119.9° |
| C6 | C7 | C10 | 119.5° | 119.9° |
| C7 | C6 | H2 | 119.5° | 120.0° |
| C6 | C7 | H3 | 120.2° | 120.0° |
| C4 | C5 | C8 | 116.3° | 120.0° |
| C5 | C4 | H1 | 99.5° | 109.7° |
| C5 | C8 | C9 | 120.1° | 120.0° |
| C5 | C8 | H4 | 119.9° | 120.0° |
| C7 | C10 | F | 119.8° | 120.0° |
| C7 | C10 | C9 | 119.8° | 120.0° |
| C10 | C7 | H3 | 120.3° | 120.0° |
| F | C10 | C9 | 120.4° | 120.1° |
| C10 | C9 | C8 | 120.9° | 120.0° |
| C10 | C9 | H5 | 119.6° | 120.0° |
| C9 | C8 | H4 | 120.0° | 120.0° |
| C8 | C9 | H5 | 119.6° | 120.0° |
| H7 | C3 | H8 | 109.5° | 109.2° |
| H9 | N | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | S | 178.8° | 180.0° |
| N | C | N1 | C1 | 176.0° | 179.8° |
| N | C | S | C11 | 175.5° | 179.9° |
| C | N | H9 | H10 | 120.0° | 180.0° |
| C | N1 | C1 | N2 | 175.0° | 179.8° |
| C | N1 | C1 | C11 | 0.7° | 0.5° |
| N1 | C | S | C11 | 3.3° | 0.1° |
| N1 | C | N | H9 | 0.0° | 0.1° |
| N1 | C | N | H10 | 120.0° | 179.9° |
| C1 | N1 | C | S | 2.8° | 0.2° |
| N1 | C1 | N2 | C11 | 176.2° | 179.2° |
| N1 | C1 | N2 | C2 | 174.0° | 168.7° |
| N1 | C1 | C11 | S | 1.5° | 0.5° |
| N1 | C1 | C11 | C4 | 168.6° | 179.3° |
| N1 | C1 | N2 | H6 | 6.0° | 11.4° |
| C | S | C11 | C1 | 2.3° | 0.3° |
| C | S | C11 | C4 | 170.3° | 179.5° |
| S | C | N | H9 | 178.8° | 180.0° |
| S | C | N | H10 | 61.2° | 0.0° |
| C1 | N2 | C2 | H6 | 180.0° | 180.0° |
| C1 | N2 | C2 | O | 179.4° | 171.5° |
| C1 | N2 | C2 | C3 | 0.3° | 8.6° |
| N2 | C1 | C11 | S | 177.8° | 179.8° |
| N2 | C1 | C11 | C4 | 15.1° | 0.0° |
| N2 | C2 | O | C3 | 179.7° | 179.9° |
| C2 | N2 | C1 | C11 | 2.2° | 12.1° |
| N2 | C2 | C3 | C4 | 15.8° | 38.2° |
| N2 | C2 | C3 | H7 | 135.8° | 158.5° |
| N2 | C2 | C3 | H8 | 104.3° | 82.1° |
| O | C2 | C3 | C4 | 164.5° | 141.9° |
| O | C2 | N2 | H6 | 0.6° | 8.5° |
| O | C2 | C3 | H7 | 44.4° | 21.6° |
| O | C2 | C3 | H8 | 75.4° | 97.9° |
| C1 | C11 | S | C4 | 167.9° | 179.8° |
| C1 | C11 | C4 | C3 | 31.1° | 29.1° |
| C1 | C11 | C4 | C5 | 179.4° | 90.6° |
| C1 | C11 | C4 | H1 | 73.1° | 148.9° |
| C11 | C1 | N2 | H6 | 177.8° | 167.8° |
| C2 | C3 | C4 | C11 | 27.1° | 44.3° |
| C2 | C3 | C4 | H7 | 120.1° | 120.3° |
| C2 | C3 | C4 | H8 | 120.1° | 120.3° |
| C2 | C3 | C4 | C5 | 175.4° | 75.4° |
| C2 | C3 | C4 | H1 | 77.2° | 164.1° |
| C3 | C2 | N2 | H6 | 179.7° | 171.5° |
| C2 | C3 | H7 | H8 | 119.7° | 119.4° |
| S | C11 | C4 | C3 | 163.9° | 151.1° |
| S | C11 | C4 | C5 | 14.4° | 89.2° |
| S | C11 | C4 | H1 | 92.0° | 31.3° |
| C11 | C4 | C3 | C5 | 148.3° | 119.7° |
| C11 | C4 | C3 | H1 | 104.3° | 119.7° |
| C11 | C4 | C5 | C6 | 20.2° | 59.2° |
| C11 | C4 | C5 | H1 | 106.4° | 120.5° |
| C11 | C4 | C5 | C8 | 153.9° | 120.6° |
| C11 | C4 | C3 | H7 | 147.2° | 164.6° |
| C11 | C4 | C3 | H8 | 93.0° | 76.0° |
| C3 | C4 | C5 | C6 | 126.1° | 59.7° |
| C3 | C4 | C5 | H1 | 107.3° | 120.6° |
| C3 | C4 | C5 | C8 | 59.7° | 120.5° |
| C4 | C3 | H7 | H8 | 119.7° | 119.4° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C8 | 174.2° | 179.8° |
| C5 | C6 | C7 | C10 | 1.1° | 0.0° |
| C6 | C5 | C8 | C9 | 3.4° | 0.2° |
| C6 | C5 | C4 | H1 | 126.6° | 179.7° |
| C5 | C6 | C7 | H3 | 178.9° | 180.0° |
| C6 | C5 | C8 | H4 | 176.6° | 179.8° |
| C7 | C6 | C5 | C4 | 177.2° | 180.0° |
| C7 | C6 | C5 | C8 | 3.1° | 0.2° |
| C6 | C7 | C10 | H3 | 180.0° | 180.0° |
| C6 | C7 | C10 | F | 179.6° | 180.0° |
| C6 | C7 | C10 | C9 | 0.5° | 0.3° |
| C4 | C5 | C8 | C9 | 178.0° | 180.0° |
| C4 | C5 | C6 | H2 | 2.8° | 0.0° |
| C4 | C5 | C8 | H4 | 2.0° | 0.0° |
| C5 | C4 | C3 | H7 | 64.5° | 44.9° |
| C5 | C4 | C3 | H8 | 55.3° | 164.3° |
| C5 | C8 | C9 | C10 | 1.9° | 0.1° |
| C5 | C8 | C9 | H4 | 180.0° | 179.9° |
| C8 | C5 | C4 | H1 | 47.5° | 0.1° |
| C8 | C5 | C6 | H2 | 176.9° | 179.8° |
| C5 | C8 | C9 | H5 | 178.1° | 180.0° |
| C7 | C10 | F | C9 | 179.1° | 179.7° |
| C7 | C10 | C9 | C8 | 0.1° | 0.3° |
| C10 | C7 | C6 | H2 | 178.8° | 180.0° |
| C7 | C10 | C9 | H5 | 179.9° | 179.7° |
| F | C10 | C9 | C8 | 179.2° | 180.0° |
| F | C10 | C7 | H3 | 0.4° | 0.0° |
| F | C10 | C9 | H5 | 0.8° | 0.0° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C9 | C10 | C7 | H3 | 179.5° | 179.8° |
| C10 | C9 | C8 | H4 | 178.1° | 180.0° |
| H1 | C4 | C3 | H7 | 42.9° | 75.6° |
| H1 | C4 | C3 | H8 | 162.7° | 43.7° |
| H2 | C6 | C7 | H3 | 1.1° | 0.0° |
| H4 | C8 | C9 | H5 | 1.9° | 0.0° |
