A1IA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.35Å | 1.32Å | |
| O1 | C | doub | 1.22Å | 1.23Å | |
| C | C1 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | doub | 1.39Å | 1.36Å | |
| O2 | C2 | sing | 1.36Å | 1.34Å | |
| C2 | C3 | sing | 1.47Å | 1.45Å | |
| C3 | O3 | doub | 1.22Å | 1.23Å | |
| N | C3 | sing | 1.35Å | 1.38Å | |
| C4 | N | sing | 1.37Å | 1.38Å | |
| N1 | C4 | doub | 1.31Å | 1.32Å | |
| C1 | N1 | sing | 1.34Å | 1.39Å | |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C13 | doub | 1.42Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | O1 | 123.2° | 120.0° |
| O | C | C1 | 115.7° | 120.0° |
| C | O | H | 109.5° | 117.0° |
| O1 | C | C1 | 121.1° | 120.0° |
| C | C1 | C2 | 118.7° | 120.2° |
| C | C1 | N1 | 116.5° | 120.2° |
| C1 | C2 | O2 | 122.7° | 121.1° |
| C1 | C2 | C3 | 119.6° | 117.9° |
| C2 | C1 | N1 | 124.8° | 119.6° |
| O2 | C2 | C3 | 117.7° | 121.0° |
| C2 | O2 | H1 | 109.5° | 114.0° |
| C2 | C3 | O3 | 125.8° | 121.0° |
| C2 | C3 | N | 113.7° | 118.0° |
| O3 | C3 | N | 120.4° | 121.0° |
| C3 | N | C4 | 123.5° | 120.0° |
| C3 | N | H2 | 118.3° | 120.0° |
| N | C4 | N1 | 123.2° | 122.3° |
| N | C4 | C5 | 117.8° | 118.9° |
| C4 | N | H2 | 118.3° | 120.0° |
| C4 | N1 | C1 | 115.3° | 122.1° |
| N1 | C4 | C5 | 119.0° | 118.8° |
| C4 | C5 | C6 | 120.0° | 119.7° |
| C4 | C5 | C14 | 120.5° | 119.8° |
| C5 | C6 | C7 | 121.0° | 120.8° |
| C6 | C5 | C14 | 119.6° | 120.5° |
| C5 | C6 | H3 | 119.5° | 119.5° |
| C6 | C7 | C8 | 121.0° | 120.0° |
| C6 | C7 | H4 | 119.5° | 120.0° |
| C7 | C6 | H3 | 119.5° | 119.6° |
| C7 | C8 | C9 | 122.7° | 121.0° |
| C7 | C8 | C13 | 118.5° | 119.7° |
| C8 | C7 | H4 | 119.5° | 119.9° |
| C8 | C9 | C10 | 120.7° | 119.7° |
| C9 | C8 | C13 | 118.7° | 119.3° |
| C8 | C9 | H5 | 119.7° | 120.1° |
| C9 | C10 | C11 | 120.6° | 121.0° |
| C10 | C9 | H5 | 119.7° | 120.2° |
| C9 | C10 | H6 | 119.7° | 119.5° |
| C10 | C11 | C12 | 120.7° | 121.0° |
| C11 | C10 | H6 | 119.7° | 119.5° |
| C10 | C11 | H7 | 119.7° | 119.5° |
| C11 | C12 | C13 | 120.7° | 119.7° |
| C12 | C11 | H7 | 119.6° | 119.6° |
| C11 | C12 | H8 | 119.7° | 120.1° |
| C12 | C13 | C8 | 118.6° | 119.4° |
| C12 | C13 | C14 | 122.6° | 121.1° |
| C13 | C12 | H8 | 119.7° | 120.2° |
| C8 | C13 | C14 | 118.8° | 119.5° |
| C13 | C14 | C5 | 121.1° | 119.5° |
| C13 | C14 | H9 | 119.4° | 120.2° |
| C5 | C14 | H9 | 119.4° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | O1 | C1 | 179.9° | 179.9° |
| O | C | C1 | C2 | 140.2° | 180.0° |
| O | C | C1 | N1 | 39.9° | 0.3° |
| O1 | C | C1 | C2 | 39.7° | 0.1° |
| O1 | C | C1 | N1 | 140.1° | 179.8° |
| O1 | C | O | H | 0.0° | 0.0° |
| C | C1 | C2 | N1 | 179.8° | 179.7° |
| C | C1 | C2 | O2 | 0.3° | 0.3° |
| C | C1 | C2 | C3 | 180.0° | 179.7° |
| C | C1 | N1 | C4 | 180.0° | 179.7° |
| C1 | C | O | H | 179.9° | 180.0° |
| C1 | C2 | O2 | C3 | 179.7° | 179.9° |
| C1 | C2 | C3 | O3 | 179.9° | 179.9° |
| C1 | C2 | C3 | N | 0.1° | 0.1° |
| C2 | C1 | N1 | C4 | 0.2° | 0.0° |
| C1 | C2 | O2 | H1 | 14.6° | 180.0° |
| O2 | C2 | C3 | O3 | 0.1° | 0.1° |
| O2 | C2 | C3 | N | 179.9° | 180.0° |
| O2 | C2 | C1 | N1 | 179.9° | 179.9° |
| C2 | C3 | O3 | N | 180.0° | 179.9° |
| C2 | C3 | N | C4 | 0.1° | 0.1° |
| C3 | C2 | C1 | N1 | 0.2° | 0.0° |
| C3 | C2 | O2 | H1 | 165.6° | 0.1° |
| C2 | C3 | N | H2 | 179.9° | 180.0° |
| O3 | C3 | N | C4 | 179.9° | 180.0° |
| O3 | C3 | N | H2 | 0.1° | 0.2° |
| C3 | N | C4 | H2 | 180.0° | 179.9° |
| C3 | N | C4 | N1 | 0.1° | 0.1° |
| C3 | N | C4 | C5 | 179.9° | 180.0° |
| N | C4 | N1 | C5 | 179.8° | 179.9° |
| N | C4 | N1 | C1 | 0.1° | 0.0° |
| N | C4 | C5 | C6 | 132.5° | 0.1° |
| N | C4 | C5 | C14 | 47.4° | 180.0° |
| N1 | C4 | C5 | C6 | 47.3° | 179.8° |
| N1 | C4 | C5 | C14 | 132.8° | 0.0° |
| N1 | C4 | N | H2 | 179.9° | 180.0° |
| C1 | N1 | C4 | C5 | 179.9° | 180.0° |
| C4 | C5 | C6 | C14 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 179.9° | 179.8° |
| C4 | C5 | C14 | C13 | 179.9° | 180.0° |
| C4 | C5 | C14 | H9 | 0.1° | 0.0° |
| C5 | C4 | N | H2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H3 | 0.1° | 0.2° |
| C5 | C6 | C7 | H3 | 180.0° | 179.6° |
| C5 | C6 | C7 | C8 | 0.0° | 0.4° |
| C6 | C5 | C14 | C13 | 0.1° | 0.2° |
| C5 | C6 | C7 | H4 | 179.9° | 179.8° |
| C6 | C5 | C14 | H9 | 179.9° | 179.8° |
| C6 | C7 | C8 | H4 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 179.9° | 179.7° |
| C6 | C7 | C8 | C13 | 0.1° | 0.2° |
| C7 | C6 | C5 | C14 | 0.0° | 0.4° |
| C7 | C8 | C9 | C13 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C7 | C8 | C13 | C12 | 180.0° | 180.0° |
| C7 | C8 | C13 | C14 | 0.1° | 0.0° |
| C7 | C8 | C9 | H5 | 0.1° | 0.1° |
| C8 | C7 | C6 | H3 | 179.9° | 180.0° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C13 | C12 | 0.0° | 0.0° |
| C9 | C8 | C13 | C14 | 179.9° | 179.9° |
| C9 | C8 | C7 | H4 | 0.1° | 0.1° |
| C8 | C9 | C10 | H6 | 179.8° | 179.9° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C9 | C8 | C13 | 0.1° | 0.0° |
| C9 | C10 | C11 | H7 | 179.7° | 179.9° |
| C10 | C11 | C12 | H7 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C9 | H5 | 179.8° | 180.0° |
| C10 | C11 | C12 | H8 | 179.8° | 180.0° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.0° | 0.0° |
| C11 | C12 | C13 | C14 | 179.9° | 179.9° |
| C12 | C11 | C10 | H6 | 179.7° | 179.9° |
| C12 | C13 | C8 | C14 | 179.9° | 179.9° |
| C12 | C13 | C14 | C5 | 180.0° | 180.0° |
| C13 | C12 | C11 | H7 | 179.8° | 179.9° |
| C12 | C13 | C14 | H9 | 0.0° | 0.1° |
| C8 | C13 | C14 | C5 | 0.1° | 0.0° |
| C13 | C8 | C7 | H4 | 179.9° | 180.0° |
| C13 | C8 | C9 | H5 | 179.9° | 180.0° |
| C8 | C13 | C12 | H8 | 179.9° | 180.0° |
| C8 | C13 | C14 | H9 | 179.9° | 180.0° |
| C13 | C14 | C5 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | H8 | 0.2° | 0.1° |
| C14 | C5 | C6 | H3 | 179.9° | 180.0° |
| H4 | C7 | C6 | H3 | 0.1° | 0.2° |
| H5 | C9 | C10 | H6 | 0.2° | 0.1° |
| H6 | C10 | C11 | H7 | 0.3° | 0.0° |
| H7 | C11 | C12 | H8 | 0.2° | 0.0° |
