A1EAV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C15 | doub | 1.22Å | 1.22Å | |
| C15 | C5 | sing | 1.48Å | 1.50Å | |
| O7 | C13 | doub | 1.22Å | 1.22Å | |
| C5 | N | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.52Å | |
| N | C3 | sing | 1.32Å | 1.35Å | Aromatic |
| C | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| N1 | C12 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C9 | sing | 1.32Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C9 | doub | 1.47Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.42Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H29 | sing | 1.08Å | 1.08Å | |
| C15 | OXT | sing | 1.35Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C13 | O1 | sing | 1.35Å | 1.33Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C15 | C5 | 119.4° | 120.0° |
| O | C15 | OXT | 121.8° | 120.0° |
| C15 | C5 | N | 119.8° | 119.4° |
| C15 | C5 | C | 119.7° | 119.4° |
| C5 | C15 | OXT | 118.8° | 120.0° |
| O7 | C13 | C12 | 119.3° | 120.0° |
| O7 | C13 | O1 | 121.9° | 120.0° |
| N | C5 | C | 120.4° | 121.3° |
| C5 | N | C3 | 121.0° | 121.4° |
| C5 | C | C1 | 119.5° | 119.8° |
| C5 | C | H3 | 120.2° | 120.2° |
| C13 | C12 | N1 | 122.3° | 119.4° |
| C13 | C12 | C11 | 118.9° | 119.4° |
| C12 | C13 | O1 | 118.8° | 120.0° |
| N | C3 | C9 | 119.9° | 121.2° |
| N | C3 | C2 | 120.3° | 120.3° |
| C | C1 | C2 | 119.1° | 118.3° |
| C | C1 | H1 | 120.5° | 120.8° |
| C1 | C | H3 | 120.2° | 120.1° |
| C12 | N1 | C9 | 122.3° | 121.4° |
| N1 | C12 | C11 | 118.8° | 121.3° |
| N1 | C9 | C3 | 120.4° | 121.2° |
| N1 | C9 | C8 | 119.4° | 120.3° |
| C12 | C11 | C10 | 120.1° | 119.8° |
| C12 | C11 | H5 | 119.9° | 120.2° |
| C9 | C3 | C2 | 119.7° | 118.5° |
| C3 | C9 | C8 | 120.1° | 118.5° |
| C3 | C2 | C1 | 119.6° | 119.0° |
| C3 | C2 | C6 | 120.2° | 120.2° |
| C9 | C8 | C10 | 119.6° | 119.0° |
| C9 | C8 | C7 | 120.1° | 120.2° |
| C1 | C2 | C6 | 120.2° | 120.9° |
| C2 | C1 | H1 | 120.5° | 120.9° |
| C2 | C6 | C7 | 120.0° | 121.3° |
| C2 | C6 | H2 | 120.0° | 119.3° |
| C11 | C10 | C8 | 119.7° | 118.3° |
| C11 | C10 | H4 | 120.1° | 120.8° |
| C10 | C11 | H5 | 120.0° | 120.1° |
| C10 | C8 | C7 | 120.3° | 120.8° |
| C8 | C10 | H4 | 120.1° | 120.9° |
| C8 | C7 | C6 | 119.8° | 121.3° |
| C8 | C7 | H29 | 120.1° | 119.3° |
| C7 | C6 | H2 | 120.0° | 119.3° |
| C6 | C7 | H29 | 120.1° | 119.3° |
| C15 | OXT | HXT | 109.5° | 117.0° |
| C13 | O1 | H6 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C15 | C5 | OXT | 180.0° | 180.0° |
| O | C15 | C5 | N | 132.4° | 180.0° |
| O | C15 | C5 | C | 47.6° | 0.3° |
| O | C15 | OXT | HXT | 0.0° | 0.0° |
| C15 | C5 | N | C | 180.0° | 179.7° |
| C15 | C5 | N | C3 | 180.0° | 180.0° |
| C15 | C5 | C | C1 | 180.0° | 179.7° |
| C15 | C5 | C | H3 | 0.0° | 0.2° |
| C5 | C15 | OXT | HXT | 180.0° | 180.0° |
| O7 | C13 | C12 | O1 | 180.0° | 180.0° |
| O7 | C13 | C12 | N1 | 82.8° | 179.9° |
| O7 | C13 | C12 | C11 | 97.2° | 0.0° |
| O7 | C13 | O1 | H6 | 0.0° | 0.0° |
| N | C5 | C | C1 | 0.0° | 0.0° |
| C5 | N | C3 | C9 | 180.0° | 180.0° |
| C5 | N | C3 | C2 | 0.0° | 0.6° |
| N | C5 | C | H3 | 180.0° | 180.0° |
| N | C5 | C15 | OXT | 47.6° | 0.0° |
| C | C5 | N | C3 | 0.0° | 0.3° |
| C5 | C | C1 | H3 | 180.0° | 180.0° |
| C5 | C | C1 | C2 | 0.0° | 0.0° |
| C5 | C | C1 | H1 | 179.9° | 179.7° |
| C | C5 | C15 | OXT | 132.4° | 179.7° |
| C13 | C12 | N1 | C11 | 180.0° | 179.9° |
| C13 | C12 | N1 | C9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 180.0° | 180.0° |
| C13 | C12 | C11 | H5 | 0.0° | 0.1° |
| C12 | C13 | O1 | H6 | 180.0° | 180.0° |
| N | C3 | C9 | N1 | 0.1° | 0.6° |
| N | C3 | C9 | C2 | 180.0° | 179.4° |
| N | C3 | C9 | C8 | 179.9° | 179.4° |
| N | C3 | C2 | C1 | 0.1° | 0.6° |
| N | C3 | C2 | C6 | 180.0° | 179.4° |
| C | C1 | C2 | C3 | 0.1° | 0.3° |
| C | C1 | C2 | H1 | 180.0° | 179.6° |
| C | C1 | C2 | C6 | 180.0° | 179.7° |
| C12 | N1 | C9 | C3 | 180.0° | 180.0° |
| C12 | N1 | C9 | C8 | 0.1° | 0.0° |
| N1 | C12 | C11 | C10 | 0.0° | 0.1° |
| N1 | C12 | C11 | H5 | 180.0° | 180.0° |
| N1 | C12 | C13 | O1 | 97.2° | 0.1° |
| C9 | N1 | C12 | C11 | 0.1° | 0.1° |
| N1 | C9 | C3 | C8 | 179.9° | 180.0° |
| N1 | C9 | C3 | C2 | 179.9° | 180.0° |
| N1 | C9 | C8 | C10 | 0.1° | 0.0° |
| N1 | C9 | C8 | C7 | 180.0° | 179.9° |
| C12 | C11 | C10 | H5 | 180.0° | 179.8° |
| C12 | C11 | C10 | C8 | 0.0° | 0.1° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | O1 | 82.8° | 180.0° |
| C9 | C3 | C2 | C1 | 180.0° | 180.0° |
| C9 | C3 | C2 | C6 | 0.0° | 0.0° |
| C3 | C9 | C8 | C10 | 180.0° | 180.0° |
| C3 | C9 | C8 | C7 | 0.1° | 0.0° |
| C2 | C3 | C9 | C8 | 0.1° | 0.0° |
| C3 | C2 | C1 | C6 | 179.9° | 180.0° |
| C3 | C2 | C6 | C7 | 0.1° | 0.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C3 | C2 | C6 | H2 | 179.9° | 180.0° |
| C9 | C8 | C10 | C11 | 0.1° | 0.1° |
| C9 | C8 | C10 | C7 | 179.9° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C9 | C8 | C10 | H4 | 179.9° | 180.0° |
| C9 | C8 | C7 | H29 | 179.9° | 180.0° |
| C1 | C2 | C6 | C7 | 180.0° | 180.0° |
| C1 | C2 | C6 | H2 | 0.0° | 0.0° |
| C2 | C1 | C | H3 | 180.0° | 179.9° |
| C2 | C6 | C7 | C8 | 0.0° | 0.1° |
| C2 | C6 | C7 | H2 | 180.0° | 179.9° |
| C6 | C2 | C1 | H1 | 0.0° | 0.0° |
| C2 | C6 | C7 | H29 | 180.0° | 180.0° |
| C11 | C10 | C8 | H4 | 180.0° | 179.9° |
| C11 | C10 | C8 | C7 | 179.9° | 180.0° |
| C10 | C8 | C7 | C6 | 180.0° | 180.0° |
| C8 | C10 | C11 | H5 | 180.0° | 180.0° |
| C10 | C8 | C7 | H29 | 0.1° | 0.1° |
| C8 | C7 | C6 | H29 | 180.0° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C8 | C10 | H4 | 0.0° | 0.1° |
| H1 | C1 | C | H3 | 0.0° | 0.3° |
| H2 | C6 | C7 | H29 | 0.0° | 0.0° |
| H4 | C10 | C11 | H5 | 0.1° | 0.1° |
