A1L8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.46Å | 1.48Å | |
| C6 | N1 | sing | 1.40Å | 1.43Å | |
| C6 | C7 | doub | 1.39Å | 1.44Å | Aromatic |
| N1 | C4 | sing | 1.39Å | 1.44Å | |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | doub | 1.30Å | 1.38Å | Aromatic |
| C4 | S1 | sing | 1.71Å | 1.78Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| S1 | C3 | sing | 1.76Å | 1.78Å | Aromatic |
| C2 | C3 | doub | 1.33Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.8° | 120.0° |
| C10 | C11 | C6 | 119.3° | 120.0° |
| C11 | C10 | H11 | 119.6° | 120.0° |
| C10 | C11 | H12 | 120.3° | 120.0° |
| C10 | C9 | C8 | 120.9° | 120.2° |
| C9 | C10 | H11 | 119.6° | 119.9° |
| C10 | C9 | H10 | 119.6° | 119.9° |
| C11 | C6 | N1 | 120.6° | 120.1° |
| C11 | C6 | C7 | 119.1° | 119.8° |
| C6 | C11 | H12 | 120.3° | 120.0° |
| C9 | C8 | C7 | 119.6° | 120.1° |
| C9 | C8 | H9 | 120.2° | 120.0° |
| C8 | C9 | H10 | 119.5° | 120.0° |
| C5 | N1 | C6 | 115.6° | 120.0° |
| C5 | N1 | C4 | 122.3° | 120.0° |
| N1 | C5 | H7 | 109.5° | 109.5° |
| N1 | C5 | H5 | 109.5° | 109.5° |
| N1 | C5 | H6 | 109.5° | 109.5° |
| N1 | C6 | C7 | 120.3° | 120.1° |
| C6 | N1 | C4 | 121.9° | 120.0° |
| C6 | C7 | C8 | 120.3° | 119.9° |
| C6 | C7 | H8 | 119.9° | 120.0° |
| N1 | C4 | N2 | 123.6° | 124.9° |
| N1 | C4 | S1 | 129.6° | 125.0° |
| C8 | C7 | H8 | 119.8° | 120.0° |
| C7 | C8 | H9 | 120.2° | 119.9° |
| N2 | C4 | S1 | 106.8° | 110.1° |
| C4 | N2 | C2 | 116.6° | 116.9° |
| C4 | S1 | C3 | 90.9° | 90.4° |
| N2 | C2 | C3 | 112.3° | 114.6° |
| N2 | C2 | C1 | 114.7° | 122.7° |
| S1 | C3 | C2 | 109.7° | 108.1° |
| S1 | C3 | H4 | 125.1° | 125.9° |
| C3 | C2 | C1 | 132.9° | 122.7° |
| C2 | C3 | H4 | 125.1° | 126.0° |
| C2 | C1 | O1 | 100.4° | 109.5° |
| C2 | C1 | H3 | 111.7° | 109.4° |
| C2 | C1 | H13 | 111.7° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| O1 | C1 | H3 | 111.7° | 109.5° |
| O1 | C1 | H13 | 111.7° | 109.5° |
| H7 | C5 | H5 | 109.5° | 109.4° |
| H7 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H3 | C1 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H11 | 180.0° | 179.4° |
| C10 | C11 | C6 | H12 | 180.0° | 179.5° |
| C11 | C10 | C9 | C8 | 1.6° | 0.2° |
| C10 | C11 | C6 | N1 | 179.3° | 179.7° |
| C10 | C11 | C6 | C7 | 0.0° | 0.5° |
| C11 | C10 | C9 | H10 | 178.4° | 180.0° |
| C9 | C10 | C11 | C6 | 0.8° | 0.5° |
| C10 | C9 | C8 | H10 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 1.4° | 0.1° |
| C10 | C9 | C8 | H9 | 178.6° | 180.0° |
| C9 | C10 | C11 | H12 | 179.2° | 180.0° |
| C11 | C6 | N1 | C5 | 53.8° | 88.8° |
| C11 | C6 | N1 | C7 | 179.3° | 179.8° |
| C11 | C6 | N1 | C4 | 130.3° | 90.8° |
| C11 | C6 | C7 | C8 | 0.2° | 0.2° |
| C11 | C6 | C7 | H8 | 179.8° | 179.8° |
| C6 | C11 | C10 | H11 | 179.2° | 179.9° |
| C9 | C8 | C7 | C6 | 0.5° | 0.1° |
| C9 | C8 | C7 | H9 | 180.0° | 179.9° |
| C9 | C8 | C7 | H8 | 179.5° | 180.0° |
| C8 | C9 | C10 | H11 | 178.4° | 179.7° |
| C5 | N1 | C6 | C4 | 175.9° | 179.7° |
| C5 | N1 | C6 | C7 | 125.4° | 90.9° |
| C5 | N1 | C4 | N2 | 0.4° | 5.2° |
| C5 | N1 | C4 | S1 | 178.7° | 175.1° |
| N1 | C5 | H7 | H5 | 120.0° | 120.0° |
| N1 | C5 | H7 | H6 | 120.0° | 120.1° |
| N1 | C5 | H5 | H6 | 120.0° | 120.0° |
| N1 | C6 | C7 | C8 | 179.5° | 180.0° |
| C6 | N1 | C4 | N2 | 176.0° | 174.5° |
| C6 | N1 | C4 | S1 | 3.1° | 5.2° |
| C6 | N1 | C5 | H7 | 180.0° | 89.7° |
| C6 | N1 | C5 | H5 | 60.0° | 30.3° |
| C6 | N1 | C5 | H6 | 60.0° | 150.3° |
| N1 | C6 | C7 | H8 | 0.5° | 0.0° |
| N1 | C6 | C11 | H12 | 0.7° | 0.2° |
| C7 | C6 | N1 | C4 | 50.4° | 89.4° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | H9 | 179.5° | 180.0° |
| C7 | C6 | C11 | H12 | 180.0° | 180.0° |
| N1 | C4 | N2 | S1 | 179.3° | 179.8° |
| N1 | C4 | N2 | C2 | 162.2° | 180.0° |
| N1 | C4 | S1 | C3 | 163.3° | 180.0° |
| C4 | N1 | C5 | H7 | 4.1° | 90.0° |
| C4 | N1 | C5 | H5 | 124.2° | 150.0° |
| C4 | N1 | C5 | H6 | 115.9° | 30.1° |
| C7 | C8 | C9 | H10 | 178.6° | 179.7° |
| N2 | C4 | S1 | C3 | 17.5° | 0.3° |
| C4 | N2 | C2 | C3 | 8.8° | 0.1° |
| C4 | N2 | C2 | C1 | 174.3° | 179.8° |
| S1 | C4 | N2 | C2 | 18.5° | 0.3° |
| C4 | S1 | C3 | C2 | 13.5° | 0.2° |
| C4 | S1 | C3 | H4 | 166.5° | 179.9° |
| N2 | C2 | C3 | S1 | 5.6° | 0.1° |
| N2 | C2 | C3 | C1 | 176.1° | 179.9° |
| N2 | C2 | C1 | O1 | 162.8° | 179.9° |
| N2 | C2 | C1 | H3 | 78.7° | 59.9° |
| N2 | C2 | C1 | H13 | 44.3° | 60.1° |
| N2 | C2 | C3 | H4 | 174.4° | 180.0° |
| S1 | C3 | C2 | H4 | 180.0° | 179.9° |
| S1 | C3 | C2 | C1 | 170.5° | 180.0° |
| C3 | C2 | C1 | O1 | 13.2° | 0.0° |
| C3 | C2 | C1 | H3 | 105.3° | 120.0° |
| C3 | C2 | C1 | H13 | 131.7° | 120.0° |
| C2 | C1 | O1 | H3 | 118.5° | 119.9° |
| C2 | C1 | O1 | H13 | 118.5° | 120.0° |
| C2 | C1 | O1 | H1 | 180.0° | 179.9° |
| C2 | C1 | H3 | H13 | 124.3° | 120.0° |
| C1 | C2 | C3 | H4 | 9.5° | 0.1° |
| O1 | C1 | H3 | H13 | 124.2° | 120.0° |
| H7 | C5 | H5 | H6 | 120.0° | 120.0° |
| H8 | C7 | C8 | H9 | 0.5° | 0.1° |
| H9 | C8 | C9 | H10 | 1.4° | 0.2° |
| H11 | C10 | C9 | H10 | 1.5° | 0.6° |
| H11 | C10 | C11 | H12 | 0.8° | 0.5° |
| H1 | O1 | C1 | H3 | 61.5° | 60.0° |
| H1 | O1 | C1 | H13 | 61.5° | 60.1° |
