A1L8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.48Å | |
| C2 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | N1 | doub | 1.30Å | 1.28Å | |
| C10 | N2 | sing | 1.37Å | 1.32Å | |
| C1 | N1 | sing | 1.37Å | 1.34Å | |
| C1 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | N2 | sing | 1.46Å | 1.42Å | |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 120.5° | 120.2° |
| C3 | C2 | C1 | 121.0° | 119.8° |
| C3 | C2 | H1 | 119.5° | 120.1° |
| C2 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | C5 | 119.2° | 119.9° |
| C3 | C4 | C6 | 118.9° | 120.3° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C5 | C4 | C6 | 121.9° | 119.8° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C2 | C1 | N1 | 122.8° | 120.1° |
| C2 | C1 | C7 | 119.0° | 119.7° |
| C1 | C2 | H1 | 119.5° | 120.1° |
| C4 | C6 | C7 | 121.3° | 120.1° |
| C4 | C6 | H7 | 119.3° | 119.9° |
| N1 | C10 | N2 | 118.3° | 120.0° |
| C10 | N1 | C1 | 132.3° | 120.0° |
| N1 | C10 | H14 | 120.8° | 120.0° |
| C10 | N2 | C9 | 123.9° | 120.0° |
| C10 | N2 | H2 | 118.1° | 120.0° |
| N2 | C10 | H14 | 120.9° | 120.0° |
| N1 | C1 | C7 | 118.3° | 120.1° |
| C1 | C7 | C6 | 119.4° | 119.8° |
| C1 | C7 | C8 | 121.3° | 120.1° |
| C9 | N2 | H2 | 118.1° | 120.0° |
| N2 | C9 | H11 | 109.5° | 109.5° |
| N2 | C9 | H12 | 109.5° | 109.5° |
| N2 | C9 | H13 | 109.5° | 109.5° |
| C6 | C7 | C8 | 119.3° | 120.1° |
| C7 | C6 | H7 | 119.3° | 119.9° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.4° | 109.4° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H11 | C9 | H13 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C6 | 0.1° | 0.1° |
| C3 | C2 | C1 | N1 | 179.9° | 180.0° |
| C3 | C2 | C1 | C7 | 0.1° | 0.3° |
| C3 | C4 | C5 | C6 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C4 | C6 | C7 | 0.0° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 90.0° | 90.0° |
| C3 | C4 | C5 | H5 | 150.0° | 150.0° |
| C3 | C4 | C5 | H6 | 30.0° | 30.0° |
| C3 | C4 | C6 | H7 | 180.0° | 180.0° |
| C5 | C4 | C6 | C7 | 179.9° | 179.7° |
| C5 | C4 | C3 | H3 | 0.1° | 0.0° |
| C4 | C5 | H4 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H6 | 120.0° | 120.0° |
| C4 | C5 | H5 | H6 | 120.0° | 120.0° |
| C5 | C4 | C6 | H7 | 0.0° | 0.0° |
| C2 | C1 | N1 | C10 | 6.3° | 47.9° |
| C2 | C1 | N1 | C7 | 179.8° | 179.7° |
| C2 | C1 | C7 | C6 | 0.1° | 0.6° |
| C2 | C1 | C7 | C8 | 179.9° | 179.8° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C4 | C6 | C7 | C1 | 0.1° | 0.6° |
| C4 | C6 | C7 | H7 | 180.0° | 179.7° |
| C4 | C6 | C7 | C8 | 179.9° | 179.7° |
| C6 | C4 | C3 | H3 | 179.9° | 180.0° |
| C6 | C4 | C5 | H4 | 90.0° | 90.0° |
| C6 | C4 | C5 | H5 | 30.1° | 30.0° |
| C6 | C4 | C5 | H6 | 150.0° | 150.0° |
| N1 | C10 | N2 | H14 | 180.0° | 180.0° |
| C10 | N1 | C1 | C7 | 173.5° | 132.4° |
| N1 | C10 | N2 | C9 | 180.0° | 0.0° |
| N1 | C10 | N2 | H2 | 0.0° | 180.0° |
| N2 | C10 | N1 | C1 | 180.0° | 174.6° |
| C10 | N2 | C9 | H2 | 180.0° | 180.0° |
| C10 | N2 | C9 | H11 | 180.0° | 60.0° |
| C10 | N2 | C9 | H12 | 60.0° | 60.0° |
| C10 | N2 | C9 | H13 | 60.0° | 180.0° |
| N1 | C1 | C7 | C6 | 179.9° | 179.7° |
| N1 | C1 | C7 | C8 | 0.1° | 0.1° |
| N1 | C1 | C2 | H1 | 0.1° | 0.0° |
| C1 | N1 | C10 | H14 | 0.0° | 5.4° |
| C1 | C7 | C6 | C8 | 180.0° | 179.7° |
| C7 | C1 | C2 | H1 | 179.9° | 179.7° |
| C1 | C7 | C6 | H7 | 179.9° | 179.7° |
| C1 | C7 | C8 | H8 | 90.0° | 90.0° |
| C1 | C7 | C8 | H9 | 150.0° | 150.0° |
| C1 | C7 | C8 | H10 | 30.0° | 30.1° |
| N2 | C9 | H11 | H12 | 120.0° | 120.1° |
| N2 | C9 | H11 | H13 | 120.0° | 120.0° |
| N2 | C9 | H12 | H13 | 120.0° | 120.0° |
| C9 | N2 | C10 | H14 | 0.0° | 180.0° |
| C6 | C7 | C8 | H8 | 90.0° | 89.7° |
| C6 | C7 | C8 | H9 | 30.0° | 30.3° |
| C6 | C7 | C8 | H10 | 150.0° | 150.2° |
| C8 | C7 | C6 | H7 | 0.1° | 0.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| H1 | C2 | C3 | H3 | 0.1° | 0.0° |
| H2 | N2 | C9 | H11 | 0.0° | 120.0° |
| H2 | N2 | C9 | H12 | 120.0° | 120.0° |
| H2 | N2 | C9 | H13 | 120.0° | 0.0° |
| H2 | N2 | C10 | H14 | 180.0° | 0.0° |
| H4 | C5 | H5 | H6 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| H11 | C9 | H12 | H13 | 120.0° | 119.9° |
