A1AVI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| C1 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.46Å | |
| C8 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | O3 | sing | 1.36Å | 1.39Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | O4 | sing | 1.36Å | 1.37Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | O5 | sing | 1.36Å | 1.35Å | |
| C5 | O6 | sing | 1.36Å | 1.37Å | |
| C1 | O3 | sing | 1.35Å | 1.37Å | |
| C2 | C7 | doub | 1.42Å | 1.41Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å | |
| O5 | H7 | sing | 0.97Å | 0.95Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 126.4° | 121.2° |
| O1 | C1 | O3 | 115.6° | 121.1° |
| C1 | C2 | C3 | 120.0° | 122.7° |
| C2 | C1 | O3 | 118.0° | 117.7° |
| C1 | C2 | C7 | 120.5° | 117.2° |
| C2 | C3 | C4 | 120.5° | 119.4° |
| C3 | C2 | C7 | 119.5° | 120.1° |
| C2 | C3 | H1 | 119.7° | 120.2° |
| C3 | C4 | O2 | 122.8° | 119.7° |
| C3 | C4 | C5 | 120.4° | 120.5° |
| C4 | C3 | H1 | 119.8° | 120.4° |
| O2 | C4 | C5 | 116.8° | 119.8° |
| C4 | O2 | H2 | 109.5° | 114.0° |
| C4 | C5 | C6 | 119.7° | 120.6° |
| C4 | C5 | O6 | 116.9° | 119.7° |
| C5 | C6 | C7 | 121.3° | 119.5° |
| C6 | C5 | O6 | 123.4° | 119.7° |
| C5 | C6 | H3 | 119.3° | 120.2° |
| C6 | C7 | C8 | 122.3° | 122.9° |
| C6 | C7 | C2 | 118.6° | 120.0° |
| C7 | C6 | H3 | 119.3° | 120.3° |
| C7 | C8 | C9 | 118.4° | 118.6° |
| C8 | C7 | C2 | 119.0° | 117.1° |
| C7 | C8 | C13 | 124.1° | 121.2° |
| C8 | C9 | O3 | 122.1° | 120.6° |
| C8 | C9 | C10 | 122.5° | 119.4° |
| C9 | C8 | C13 | 117.5° | 120.2° |
| O3 | C9 | C10 | 115.5° | 120.0° |
| C9 | O3 | C1 | 122.0° | 117.7° |
| C9 | C10 | C11 | 118.8° | 120.2° |
| C9 | C10 | H4 | 120.6° | 120.0° |
| C10 | C11 | C12 | 120.3° | 120.4° |
| C10 | C11 | O5 | 121.2° | 119.8° |
| C11 | C10 | H4 | 120.6° | 119.9° |
| C11 | C12 | O4 | 117.2° | 120.0° |
| C11 | C12 | C13 | 119.5° | 120.0° |
| C12 | C11 | O5 | 118.5° | 119.8° |
| O4 | C12 | C13 | 123.2° | 119.9° |
| C12 | O4 | H5 | 109.5° | 114.0° |
| C12 | C13 | C8 | 121.4° | 119.8° |
| C12 | C13 | H6 | 119.3° | 120.1° |
| C11 | O5 | H7 | 109.5° | 114.0° |
| C5 | O6 | H8 | 109.5° | 114.0° |
| C8 | C13 | H6 | 119.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O3 | 179.7° | 179.7° |
| O1 | C1 | C2 | C3 | 0.0° | 25.8° |
| O1 | C1 | O3 | C9 | 179.8° | 139.9° |
| O1 | C1 | C2 | C7 | 179.8° | 154.3° |
| C1 | C2 | C3 | C7 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.9° | 179.9° |
| C1 | C2 | C7 | C6 | 179.9° | 179.8° |
| C1 | C2 | C7 | C8 | 0.1° | 0.3° |
| C2 | C1 | O3 | C9 | 0.1° | 40.4° |
| C1 | C2 | C3 | H1 | 0.1° | 0.1° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | O2 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.2° |
| C3 | C2 | C7 | C8 | 179.7° | 179.8° |
| C3 | C2 | C1 | O3 | 179.7° | 154.0° |
| C3 | C4 | O2 | C5 | 179.7° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | O6 | 179.9° | 179.9° |
| C4 | C3 | C2 | C7 | 0.2° | 0.1° |
| C3 | C4 | O2 | H2 | 180.0° | 90.0° |
| O2 | C4 | C5 | C6 | 179.9° | 179.9° |
| O2 | C4 | C5 | O6 | 0.4° | 0.0° |
| O2 | C4 | C3 | H1 | 0.4° | 0.0° |
| C4 | C5 | C6 | O6 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C5 | C4 | C3 | H1 | 179.9° | 179.9° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| C5 | C4 | O2 | H2 | 0.3° | 90.0° |
| C4 | C5 | O6 | H8 | 180.0° | 90.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 180.0° | 179.8° |
| C5 | C6 | C7 | C2 | 0.2° | 0.1° |
| C6 | C5 | O6 | H8 | 0.3° | 90.0° |
| C6 | C7 | C8 | C2 | 179.8° | 179.9° |
| C6 | C7 | C8 | C9 | 179.9° | 167.5° |
| C7 | C6 | C5 | O6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C13 | 0.1° | 12.5° |
| C7 | C8 | C9 | C13 | 180.0° | 179.9° |
| C7 | C8 | C9 | O3 | 0.0° | 0.8° |
| C7 | C8 | C9 | C10 | 180.0° | 179.4° |
| C7 | C8 | C13 | C12 | 179.9° | 179.7° |
| C7 | C8 | C13 | H6 | 0.1° | 0.3° |
| C8 | C7 | C6 | H3 | 0.0° | 0.2° |
| C8 | C9 | O3 | C10 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.2° | 0.4° |
| C9 | C8 | C13 | C12 | 0.1° | 0.3° |
| C8 | C9 | O3 | C1 | 0.0° | 27.7° |
| C9 | C8 | C7 | C2 | 0.1° | 12.6° |
| C8 | C9 | C10 | H4 | 179.8° | 179.7° |
| C9 | C8 | C13 | H6 | 179.9° | 179.7° |
| O3 | C9 | C10 | C11 | 179.8° | 179.4° |
| O3 | C9 | C8 | C13 | 180.0° | 179.3° |
| O3 | C9 | C10 | H4 | 0.2° | 0.5° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | O5 | 179.6° | 179.9° |
| C10 | C9 | O3 | C1 | 180.0° | 152.5° |
| C10 | C9 | C8 | C13 | 0.0° | 0.5° |
| C10 | C11 | C12 | O5 | 179.9° | 179.9° |
| C10 | C11 | C12 | O4 | 179.6° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.2° |
| C10 | C11 | O5 | H7 | 180.0° | 90.0° |
| C11 | C12 | O4 | C13 | 179.8° | 179.9° |
| C11 | C12 | C13 | C8 | 0.1° | 0.1° |
| C12 | C11 | C10 | H4 | 179.7° | 179.9° |
| C11 | C12 | C13 | H6 | 179.9° | 179.9° |
| C11 | C12 | O4 | H5 | 180.0° | 90.0° |
| C12 | C11 | O5 | H7 | 0.1° | 90.0° |
| O4 | C12 | C11 | O5 | 0.5° | 0.1° |
| O4 | C12 | C13 | C8 | 179.7° | 180.0° |
| O4 | C12 | C13 | H6 | 0.3° | 0.0° |
| C13 | C12 | C11 | O5 | 179.7° | 179.8° |
| C12 | C13 | C8 | H6 | 180.0° | 180.0° |
| C13 | C12 | O4 | H5 | 0.1° | 90.0° |
| O5 | C11 | C10 | H4 | 0.4° | 0.0° |
| O6 | C5 | C6 | H3 | 0.0° | 0.0° |
| O3 | C1 | C2 | C7 | 0.1° | 26.0° |
| C2 | C7 | C8 | C13 | 180.0° | 167.4° |
| C7 | C2 | C3 | H1 | 179.7° | 179.9° |
| C2 | C7 | C6 | H3 | 179.8° | 179.9° |
