A8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C17 | doub | 1.21Å | 1.27Å | |
| O02 | C17 | sing | 1.35Å | 1.26Å | |
| C17 | C08 | sing | 1.48Å | 1.53Å | |
| C10 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C06 | sing | 1.48Å | 1.53Å | |
| C06 | O01 | doub | 1.22Å | 1.19Å | |
| C06 | C05 | sing | 1.48Å | 1.53Å | |
| C05 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| O02 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C17 | O02 | 120.1° | 120.0° |
| O03 | C17 | C08 | 121.5° | 120.0° |
| O02 | C17 | C08 | 118.4° | 120.0° |
| C17 | O02 | H10 | 109.5° | 117.0° |
| C17 | C08 | C10 | 117.2° | 120.1° |
| C17 | C08 | C07 | 122.3° | 120.1° |
| C08 | C10 | C11 | 121.1° | 120.2° |
| C10 | C08 | C07 | 120.5° | 119.8° |
| C08 | C10 | H4 | 119.4° | 119.9° |
| C10 | C11 | C09 | 118.6° | 120.3° |
| C11 | C10 | H4 | 119.5° | 119.9° |
| C10 | C11 | H5 | 120.7° | 119.9° |
| C08 | C07 | C04 | 118.8° | 119.7° |
| C08 | C07 | H8 | 120.6° | 120.2° |
| C11 | C09 | C04 | 121.1° | 120.1° |
| C09 | C11 | H5 | 120.7° | 119.8° |
| C11 | C09 | H9 | 119.4° | 119.9° |
| C07 | C04 | C09 | 119.9° | 119.9° |
| C07 | C04 | C06 | 124.1° | 120.0° |
| C04 | C07 | H8 | 120.6° | 120.2° |
| C09 | C04 | C06 | 116.0° | 120.1° |
| C04 | C09 | H9 | 119.5° | 119.9° |
| C04 | C06 | O01 | 117.8° | 120.0° |
| C04 | C06 | C05 | 122.8° | 120.0° |
| O01 | C06 | C05 | 119.3° | 120.0° |
| C06 | C05 | C12 | 121.4° | 120.1° |
| C06 | C05 | C13 | 119.5° | 120.1° |
| C12 | C05 | C13 | 119.1° | 119.7° |
| C05 | C12 | C14 | 121.5° | 119.8° |
| C05 | C12 | H3 | 119.3° | 120.1° |
| C05 | C13 | C15 | 119.6° | 119.8° |
| C05 | C13 | H6 | 120.2° | 120.0° |
| C12 | C14 | C16 | 119.2° | 120.2° |
| C14 | C12 | H3 | 119.2° | 120.1° |
| C12 | C14 | H7 | 120.4° | 119.9° |
| C13 | C15 | C16 | 121.5° | 120.2° |
| C13 | C15 | H1 | 119.3° | 119.9° |
| C15 | C13 | H6 | 120.2° | 120.2° |
| C14 | C16 | C15 | 119.2° | 120.3° |
| C14 | C16 | H2 | 120.4° | 119.9° |
| C16 | C14 | H7 | 120.4° | 119.9° |
| C16 | C15 | H1 | 119.2° | 119.9° |
| C15 | C16 | H2 | 120.4° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C17 | O02 | C08 | 179.8° | 180.0° |
| O03 | C17 | C08 | C10 | 138.6° | 180.0° |
| O03 | C17 | C08 | C07 | 42.2° | 0.0° |
| O03 | C17 | O02 | H10 | 0.0° | 0.0° |
| O02 | C17 | C08 | C10 | 41.2° | 0.0° |
| O02 | C17 | C08 | C07 | 138.0° | 180.0° |
| C17 | C08 | C10 | C07 | 179.2° | 180.0° |
| C17 | C08 | C10 | C11 | 179.9° | 180.0° |
| C17 | C08 | C07 | C04 | 179.8° | 180.0° |
| C17 | C08 | C10 | H4 | 0.1° | 0.3° |
| C17 | C08 | C07 | H8 | 0.2° | 0.0° |
| C08 | C17 | O02 | H10 | 179.8° | 180.0° |
| C08 | C10 | C11 | H4 | 180.0° | 179.7° |
| C08 | C10 | C11 | C09 | 0.6° | 0.0° |
| C10 | C08 | C07 | C04 | 0.6° | 0.0° |
| C08 | C10 | C11 | H5 | 179.4° | 180.0° |
| C10 | C08 | C07 | H8 | 179.3° | 180.0° |
| C11 | C10 | C08 | C07 | 0.9° | 0.0° |
| C10 | C11 | C09 | H5 | 180.0° | 179.9° |
| C10 | C11 | C09 | C04 | 0.0° | 0.0° |
| C10 | C11 | C09 | H9 | 180.0° | 180.0° |
| C08 | C07 | C04 | H8 | 180.0° | 180.0° |
| C08 | C07 | C04 | C09 | 0.1° | 0.0° |
| C08 | C07 | C04 | C06 | 179.9° | 180.0° |
| C07 | C08 | C10 | H4 | 179.1° | 179.7° |
| C11 | C09 | C04 | C07 | 0.2° | 0.0° |
| C11 | C09 | C04 | H9 | 180.0° | 180.0° |
| C11 | C09 | C04 | C06 | 179.5° | 179.9° |
| C09 | C11 | C10 | H4 | 179.4° | 179.7° |
| C07 | C04 | C09 | C06 | 179.8° | 179.9° |
| C07 | C04 | C06 | O01 | 148.7° | 146.5° |
| C07 | C04 | C06 | C05 | 34.0° | 33.5° |
| C07 | C04 | C09 | H9 | 179.8° | 180.0° |
| C09 | C04 | C06 | O01 | 31.5° | 33.4° |
| C09 | C04 | C06 | C05 | 145.8° | 146.5° |
| C04 | C09 | C11 | H5 | 180.0° | 179.9° |
| C09 | C04 | C07 | H8 | 179.9° | 180.0° |
| C04 | C06 | O01 | C05 | 177.4° | 180.0° |
| C04 | C06 | C05 | C12 | 20.5° | 172.4° |
| C04 | C06 | C05 | C13 | 160.9° | 8.4° |
| C06 | C04 | C07 | H8 | 0.1° | 0.1° |
| C06 | C04 | C09 | H9 | 0.5° | 0.0° |
| O01 | C06 | C05 | C12 | 156.7° | 7.6° |
| O01 | C06 | C05 | C13 | 21.8° | 171.6° |
| C06 | C05 | C12 | C13 | 178.5° | 179.2° |
| C06 | C05 | C12 | C14 | 178.9° | 180.0° |
| C06 | C05 | C13 | C15 | 179.7° | 179.7° |
| C06 | C05 | C12 | H3 | 1.1° | 0.5° |
| C06 | C05 | C13 | H6 | 0.3° | 0.2° |
| C05 | C12 | C14 | H3 | 180.0° | 179.5° |
| C12 | C05 | C13 | C15 | 1.7° | 0.5° |
| C05 | C12 | C14 | C16 | 1.2° | 0.6° |
| C12 | C05 | C13 | H6 | 178.3° | 179.5° |
| C05 | C12 | C14 | H7 | 178.8° | 180.0° |
| C13 | C05 | C12 | C14 | 0.4° | 0.8° |
| C05 | C13 | C15 | H6 | 180.0° | 180.0° |
| C05 | C13 | C15 | C16 | 1.6° | 0.0° |
| C05 | C13 | C15 | H1 | 178.4° | 179.7° |
| C13 | C05 | C12 | H3 | 179.6° | 179.7° |
| C12 | C14 | C16 | H7 | 180.0° | 179.4° |
| C12 | C14 | C16 | C15 | 1.4° | 0.0° |
| C12 | C14 | C16 | H2 | 178.7° | 180.0° |
| C13 | C15 | C16 | C14 | 0.0° | 0.3° |
| C13 | C15 | C16 | H1 | 180.0° | 179.7° |
| C13 | C15 | C16 | H2 | 180.0° | 179.7° |
| C14 | C16 | C15 | H2 | 180.0° | 180.0° |
| C14 | C16 | C15 | H1 | 180.0° | 180.0° |
| C16 | C14 | C12 | H3 | 178.8° | 180.0° |
| C16 | C15 | C13 | H6 | 178.4° | 180.0° |
| C15 | C16 | C14 | H7 | 178.6° | 179.4° |
| H1 | C15 | C16 | H2 | 0.0° | 0.0° |
| H1 | C15 | C13 | H6 | 1.6° | 0.3° |
| H2 | C16 | C14 | H7 | 1.3° | 0.5° |
| H3 | C12 | C14 | H7 | 1.2° | 0.6° |
| H4 | C10 | C11 | H5 | 0.6° | 0.3° |
| H5 | C11 | C09 | H9 | 0.0° | 0.1° |
