A1ANC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C2 | N | sing | 1.46Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N | C4 | sing | 1.35Å | 1.35Å | |
| C4 | O | doub | 1.22Å | 1.21Å | |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C8 | sing | 1.39Å | 1.39Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 113.3° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.4° | 109.4° |
| C | C1 | H4 | 108.5° | 109.5° |
| C | C1 | H3 | 108.5° | 109.4° |
| C1 | N | C2 | 115.9° | 120.0° |
| C1 | N | C4 | 115.0° | 120.0° |
| N | C1 | H4 | 108.5° | 109.4° |
| N | C1 | H3 | 108.5° | 109.5° |
| N | C2 | C3 | 113.4° | 109.4° |
| C2 | N | C4 | 128.9° | 120.0° |
| N | C2 | H5 | 108.4° | 109.5° |
| N | C2 | H6 | 108.5° | 109.5° |
| C3 | C2 | H5 | 108.5° | 109.5° |
| C3 | C2 | H6 | 108.5° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.4° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| N | C4 | O | 121.2° | 120.0° |
| N | C4 | C5 | 120.7° | 120.0° |
| O | C4 | C5 | 118.1° | 120.0° |
| C4 | C5 | C6 | 117.0° | 120.0° |
| C4 | C5 | C10 | 123.8° | 120.1° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| C6 | C5 | C10 | 118.4° | 119.9° |
| C5 | C6 | H10 | 119.6° | 120.1° |
| C6 | C7 | C8 | 120.7° | 120.0° |
| C7 | C6 | H10 | 119.6° | 120.0° |
| C6 | C7 | H11 | 119.7° | 120.0° |
| C7 | C8 | N1 | 120.9° | 119.9° |
| C7 | C8 | C9 | 118.3° | 120.2° |
| C8 | C7 | H11 | 119.6° | 120.0° |
| N1 | C8 | C9 | 120.8° | 119.9° |
| C8 | N1 | H12 | 109.5° | 120.0° |
| C8 | N1 | H13 | 109.4° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | H14 | 119.6° | 120.0° |
| C9 | C10 | C5 | 120.8° | 119.9° |
| C9 | C10 | H15 | 119.6° | 120.1° |
| C10 | C9 | H14 | 119.6° | 120.0° |
| C5 | C10 | H15 | 119.6° | 120.0° |
| H12 | N1 | H13 | 109.5° | 120.0° |
| H | C | H2 | 109.4° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.6° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H9 | 109.4° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C3 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H4 | 120.6° | 120.0° |
| C | C1 | N | H3 | 120.5° | 119.9° |
| C | C1 | N | C2 | 97.8° | 95.5° |
| C | C1 | N | C4 | 86.3° | 84.4° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C | C1 | H4 | H3 | 118.3° | 120.0° |
| C1 | N | C2 | C4 | 175.3° | 179.9° |
| C1 | N | C2 | C3 | 22.0° | 82.0° |
| C1 | N | C4 | O | 7.5° | 4.8° |
| C1 | N | C4 | C5 | 171.1° | 175.2° |
| N | C1 | C | H | 180.0° | 60.0° |
| N | C1 | C | H2 | 60.0° | 60.0° |
| N | C1 | C | H1 | 60.0° | 180.0° |
| N | C1 | H4 | H3 | 118.3° | 120.0° |
| C1 | N | C2 | H5 | 142.6° | 38.0° |
| C1 | N | C2 | H6 | 98.5° | 158.0° |
| N | C2 | C3 | H5 | 120.6° | 120.0° |
| N | C2 | C3 | H6 | 120.6° | 120.0° |
| C2 | N | C4 | O | 177.2° | 175.3° |
| C2 | N | C4 | C5 | 4.2° | 4.7° |
| C2 | N | C1 | H4 | 141.7° | 24.5° |
| C2 | N | C1 | H3 | 22.8° | 144.6° |
| N | C2 | H5 | H6 | 118.2° | 120.1° |
| N | C2 | C3 | H7 | 180.0° | 46.2° |
| N | C2 | C3 | H9 | 60.0° | 73.8° |
| N | C2 | C3 | H8 | 60.0° | 166.2° |
| C3 | C2 | N | C4 | 162.7° | 98.1° |
| C3 | C2 | H5 | H6 | 118.2° | 119.9° |
| C2 | C3 | H7 | H9 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C2 | C3 | H9 | H8 | 120.0° | 120.0° |
| N | C4 | O | C5 | 178.6° | 180.0° |
| N | C4 | C5 | C6 | 144.9° | 131.9° |
| N | C4 | C5 | C10 | 45.4° | 48.3° |
| C4 | N | C1 | H4 | 34.3° | 155.6° |
| C4 | N | C1 | H3 | 153.2° | 35.5° |
| C4 | N | C2 | H5 | 42.1° | 141.9° |
| C4 | N | C2 | H6 | 76.7° | 21.9° |
| O | C4 | C5 | C6 | 36.5° | 48.1° |
| O | C4 | C5 | C10 | 133.2° | 131.7° |
| C4 | C5 | C6 | C10 | 170.2° | 179.8° |
| C4 | C5 | C6 | C7 | 169.1° | 180.0° |
| C4 | C5 | C10 | C9 | 169.7° | 179.7° |
| C4 | C5 | C6 | H10 | 10.9° | 0.1° |
| C4 | C5 | C10 | H15 | 10.3° | 0.1° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.7° | 0.1° |
| C6 | C5 | C10 | C9 | 0.2° | 0.5° |
| C5 | C6 | C7 | H11 | 178.3° | 180.0° |
| C6 | C5 | C10 | H15 | 179.8° | 179.7° |
| C6 | C7 | C8 | H11 | 180.0° | 179.9° |
| C6 | C7 | C8 | N1 | 178.8° | 179.9° |
| C6 | C7 | C8 | C9 | 0.8° | 0.0° |
| C7 | C6 | C5 | C10 | 1.1° | 0.2° |
| C7 | C8 | N1 | C9 | 179.5° | 179.9° |
| C7 | C8 | C9 | C10 | 0.5° | 0.3° |
| C7 | C8 | N1 | H12 | 180.0° | 0.1° |
| C7 | C8 | N1 | H13 | 60.0° | 179.7° |
| C8 | C7 | C6 | H10 | 178.3° | 179.9° |
| C7 | C8 | C9 | H14 | 179.5° | 180.0° |
| N1 | C8 | C9 | C10 | 179.9° | 179.7° |
| C8 | N1 | H12 | H13 | 120.0° | 179.7° |
| N1 | C8 | C7 | H11 | 1.2° | 0.0° |
| N1 | C8 | C9 | H14 | 0.1° | 0.0° |
| C8 | C9 | C10 | H14 | 180.0° | 179.7° |
| C8 | C9 | C10 | C5 | 1.1° | 0.6° |
| C9 | C8 | N1 | H12 | 0.5° | 180.0° |
| C9 | C8 | N1 | H13 | 119.5° | 0.3° |
| C9 | C8 | C7 | H11 | 179.2° | 179.9° |
| C8 | C9 | C10 | H15 | 178.9° | 179.6° |
| C9 | C10 | C5 | H15 | 180.0° | 179.8° |
| C10 | C5 | C6 | H10 | 178.9° | 179.8° |
| C5 | C10 | C9 | H14 | 179.0° | 179.7° |
| H10 | C6 | C7 | H11 | 1.7° | 0.0° |
| H15 | C10 | C9 | H14 | 1.0° | 0.1° |
| H | C | H2 | H1 | 120.0° | 120.0° |
| H | C | C1 | H4 | 59.4° | 180.0° |
| H | C | C1 | H3 | 59.5° | 59.9° |
| H2 | C | C1 | H4 | 60.6° | 60.0° |
| H2 | C | C1 | H3 | 179.4° | 179.9° |
| H1 | C | C1 | H4 | 179.4° | 60.0° |
| H1 | C | C1 | H3 | 60.5° | 60.1° |
| H5 | C2 | C3 | H7 | 59.5° | 166.3° |
| H5 | C2 | C3 | H9 | 179.4° | 46.3° |
| H5 | C2 | C3 | H8 | 60.5° | 73.8° |
| H6 | C2 | C3 | H7 | 59.4° | 73.8° |
| H6 | C2 | C3 | H9 | 60.5° | 166.2° |
| H6 | C2 | C3 | H8 | 179.4° | 46.2° |
| H7 | C3 | H9 | H8 | 120.0° | 120.0° |
