A1EBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | O3 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C31 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.47Å | 1.49Å | |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | O4 | doub | 1.21Å | 1.21Å | |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | OXT | sing | 1.34Å | 192.72Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C24 | C25 | 120.5° | 120.0° |
| O3 | C24 | OXT | 83.8° | 120.0° |
| C24 | C25 | C26 | 111.6° | 109.5° |
| C24 | C25 | H20 | 108.9° | 109.5° |
| C24 | C25 | H21 | 108.9° | 109.5° |
| C25 | C24 | OXT | 140.4° | 120.0° |
| C33 | C32 | C31 | 120.2° | 120.1° |
| C32 | C33 | C28 | 120.3° | 119.9° |
| C33 | C32 | H29 | 119.9° | 119.9° |
| C32 | C33 | H30 | 119.8° | 120.1° |
| C32 | C31 | C30 | 120.1° | 120.4° |
| C32 | C31 | H28 | 120.0° | 119.8° |
| C31 | C32 | H29 | 119.9° | 119.9° |
| C33 | C28 | C27 | 120.4° | 120.2° |
| C33 | C28 | C29 | 119.0° | 119.7° |
| C28 | C33 | H30 | 119.8° | 120.1° |
| C25 | C26 | C27 | 111.8° | 109.5° |
| C26 | C25 | H20 | 108.9° | 109.4° |
| C26 | C25 | H21 | 108.9° | 109.5° |
| C25 | C26 | H22 | 108.9° | 109.5° |
| C25 | C26 | H23 | 108.9° | 109.5° |
| C26 | C27 | C28 | 118.8° | 120.1° |
| C26 | C27 | O4 | 120.6° | 119.9° |
| C27 | C26 | H22 | 108.9° | 109.5° |
| C27 | C26 | H23 | 108.9° | 109.4° |
| C31 | C30 | C29 | 120.1° | 120.1° |
| C31 | C30 | H27 | 119.9° | 120.0° |
| C30 | C31 | H28 | 119.9° | 119.8° |
| C27 | C28 | C29 | 120.6° | 120.2° |
| C28 | C27 | O4 | 120.6° | 120.0° |
| C28 | C29 | C30 | 120.3° | 119.8° |
| C28 | C29 | H24 | 119.9° | 120.1° |
| C30 | C29 | H24 | 119.8° | 120.1° |
| C29 | C30 | H27 | 119.9° | 119.9° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.4° |
| C24 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C24 | C25 | OXT | 121.1° | 179.7° |
| O3 | C24 | C25 | C26 | 87.6° | 0.0° |
| O3 | C24 | C25 | H20 | 152.1° | 120.0° |
| O3 | C24 | C25 | H21 | 32.8° | 120.0° |
| O3 | C24 | OXT | HXT | 90.0° | 0.0° |
| C24 | C25 | C26 | H20 | 120.3° | 120.0° |
| C24 | C25 | C26 | H21 | 120.3° | 120.0° |
| C24 | C25 | C26 | C27 | 163.9° | 180.0° |
| C24 | C25 | H20 | H21 | 119.0° | 120.0° |
| C24 | C25 | C26 | H22 | 43.5° | 60.0° |
| C24 | C25 | C26 | H23 | 75.8° | 60.0° |
| C25 | C24 | OXT | HXT | 90.0° | 179.7° |
| C33 | C32 | C31 | H29 | 180.0° | 179.5° |
| C32 | C33 | C28 | H30 | 180.0° | 179.4° |
| C33 | C32 | C31 | C30 | 0.0° | 0.2° |
| C32 | C33 | C28 | C27 | 179.8° | 179.7° |
| C32 | C33 | C28 | C29 | 0.2° | 0.5° |
| C33 | C32 | C31 | H28 | 180.0° | 179.7° |
| C31 | C32 | C33 | C28 | 0.0° | 0.5° |
| C32 | C31 | C30 | H28 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.0° | 0.0° |
| C32 | C31 | C30 | H27 | 180.0° | 179.9° |
| C31 | C32 | C33 | H30 | 180.0° | 179.9° |
| C33 | C28 | C27 | C26 | 39.7° | 0.2° |
| C33 | C28 | C27 | C29 | 180.0° | 179.8° |
| C33 | C28 | C27 | O4 | 140.1° | 179.7° |
| C33 | C28 | C29 | C30 | 0.2° | 0.2° |
| C33 | C28 | C29 | H24 | 179.8° | 179.8° |
| C28 | C33 | C32 | H29 | 180.0° | 180.0° |
| C25 | C26 | C27 | H22 | 120.3° | 120.1° |
| C25 | C26 | C27 | H23 | 120.3° | 120.0° |
| C25 | C26 | C27 | C28 | 154.7° | 180.0° |
| C25 | C26 | C27 | O4 | 25.1° | 0.1° |
| C26 | C25 | H20 | H21 | 119.0° | 120.0° |
| C25 | C26 | H22 | H23 | 118.9° | 120.0° |
| C26 | C25 | C24 | OXT | 151.4° | 179.7° |
| C26 | C27 | C28 | O4 | 179.8° | 179.9° |
| C26 | C27 | C28 | C29 | 140.3° | 180.0° |
| C27 | C26 | C25 | H20 | 75.8° | 60.0° |
| C27 | C26 | C25 | H21 | 43.5° | 60.0° |
| C27 | C26 | H22 | H23 | 119.0° | 119.9° |
| C31 | C30 | C29 | C28 | 0.1° | 0.0° |
| C31 | C30 | C29 | H27 | 180.0° | 180.0° |
| C31 | C30 | C29 | H24 | 179.8° | 180.0° |
| C30 | C31 | C32 | H29 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 179.8° | 180.0° |
| C28 | C27 | C26 | H22 | 85.0° | 59.9° |
| C28 | C27 | C26 | H23 | 34.3° | 60.0° |
| C27 | C28 | C29 | H24 | 0.2° | 0.0° |
| C27 | C28 | C33 | H30 | 0.2° | 0.3° |
| C29 | C28 | C27 | O4 | 39.9° | 0.1° |
| C28 | C29 | C30 | H24 | 180.0° | 180.0° |
| C28 | C29 | C30 | H27 | 179.9° | 179.9° |
| C29 | C28 | C33 | H30 | 179.9° | 179.9° |
| O4 | C27 | C26 | H22 | 95.2° | 120.0° |
| O4 | C27 | C26 | H23 | 145.5° | 120.1° |
| C29 | C30 | C31 | H28 | 180.0° | 180.0° |
| H20 | C25 | C26 | H22 | 163.8° | 180.0° |
| H20 | C25 | C26 | H23 | 44.5° | 60.0° |
| H20 | C25 | C24 | OXT | 31.1° | 60.3° |
| H21 | C25 | C26 | H22 | 76.8° | 60.0° |
| H21 | C25 | C26 | H23 | 163.9° | 180.0° |
| H21 | C25 | C24 | OXT | 88.3° | 59.7° |
| H24 | C29 | C30 | H27 | 0.1° | 0.1° |
| H27 | C30 | C31 | H28 | 0.0° | 0.0° |
| H28 | C31 | C32 | H29 | 0.0° | 0.2° |
| H29 | C32 | C33 | H30 | 0.0° | 0.6° |
