A1EV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C51 | C50 | sing | 1.53Å | 1.54Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| O49 | C48 | doub | 1.21Å | 1.19Å | |
| C50 | C48 | sing | 1.51Å | 1.54Å | |
| C52 | O53 | sing | 1.43Å | 1.39Å | |
| O53 | C54 | sing | 1.36Å | 1.40Å | |
| C54 | C55 | doub | 1.39Å | 1.38Å | Aromatic |
| C54 | C59 | sing | 1.39Å | 1.38Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.39Å | Aromatic |
| CL60 | C59 | sing | 1.74Å | 1.78Å | |
| C59 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C56 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
| C58 | C57 | sing | 1.38Å | 1.38Å | Aromatic |
| C57 | CL61 | sing | 1.74Å | 1.78Å | |
| C50 | H26 | sing | 1.09Å | 1.10Å | |
| C50 | H27 | sing | 1.09Å | 1.10Å | |
| C51 | H28 | sing | 1.09Å | 1.10Å | |
| C51 | H29 | sing | 1.09Å | 1.10Å | |
| C52 | H30 | sing | 1.09Å | 1.10Å | |
| C52 | H31 | sing | 1.09Å | 1.10Å | |
| C55 | H32 | sing | 1.08Å | 1.08Å | |
| C56 | H33 | sing | 1.08Å | 1.08Å | |
| C58 | H34 | sing | 1.08Å | 1.08Å | |
| C48 | O1 | sing | 1.34Å | 1.82Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C50 | C51 | C52 | 110.7° | 109.5° |
| C51 | C50 | C48 | 113.2° | 109.5° |
| C51 | C50 | H26 | 108.5° | 109.4° |
| C51 | C50 | H27 | 108.6° | 109.5° |
| C50 | C51 | H28 | 109.2° | 109.5° |
| C50 | C51 | H29 | 109.1° | 109.5° |
| C51 | C52 | O53 | 106.9° | 109.5° |
| C52 | C51 | H28 | 109.1° | 109.4° |
| C52 | C51 | H29 | 109.2° | 109.5° |
| C51 | C52 | H30 | 110.1° | 109.5° |
| C51 | C52 | H31 | 110.1° | 109.5° |
| O49 | C48 | C50 | 120.2° | 120.0° |
| O49 | C48 | O1 | 118.8° | 120.0° |
| C48 | C50 | H26 | 108.6° | 109.5° |
| C48 | C50 | H27 | 108.5° | 109.5° |
| C50 | C48 | O1 | 120.9° | 120.0° |
| C52 | O53 | C54 | 113.7° | 117.0° |
| O53 | C52 | H30 | 110.1° | 109.5° |
| O53 | C52 | H31 | 110.1° | 109.4° |
| O53 | C54 | C55 | 119.8° | 120.0° |
| O53 | C54 | C59 | 120.1° | 120.0° |
| C55 | C54 | C59 | 120.1° | 119.9° |
| C54 | C55 | C56 | 119.9° | 120.0° |
| C54 | C55 | H32 | 120.1° | 120.0° |
| C54 | C59 | CL60 | 120.7° | 120.1° |
| C54 | C59 | C58 | 119.8° | 119.9° |
| C55 | C56 | C57 | 119.9° | 120.1° |
| C56 | C55 | H32 | 120.0° | 120.0° |
| C55 | C56 | H33 | 120.1° | 119.9° |
| CL60 | C59 | C58 | 119.5° | 120.0° |
| C59 | C58 | C57 | 120.0° | 120.0° |
| C59 | C58 | H34 | 120.0° | 120.0° |
| C56 | C57 | C58 | 120.3° | 120.1° |
| C56 | C57 | CL61 | 120.3° | 119.9° |
| C57 | C56 | H33 | 120.0° | 120.0° |
| C58 | C57 | CL61 | 119.4° | 120.0° |
| C57 | C58 | H34 | 120.0° | 120.0° |
| H26 | C50 | H27 | 109.5° | 109.5° |
| H28 | C51 | H29 | 109.5° | 109.5° |
| H30 | C52 | H31 | 109.5° | 109.5° |
| C48 | O1 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C50 | C51 | C52 | H28 | 120.2° | 120.0° |
| C50 | C51 | C52 | H29 | 120.2° | 120.0° |
| C51 | C50 | C48 | O49 | 133.4° | 0.3° |
| C51 | C50 | C48 | H26 | 120.5° | 120.0° |
| C51 | C50 | C48 | H27 | 120.6° | 120.0° |
| C50 | C51 | C52 | O53 | 19.0° | 180.0° |
| C51 | C50 | H26 | H27 | 118.3° | 120.0° |
| C50 | C51 | H28 | H29 | 119.4° | 120.1° |
| C50 | C51 | C52 | H30 | 138.6° | 60.0° |
| C50 | C51 | C52 | H31 | 100.6° | 60.0° |
| C51 | C50 | C48 | O1 | 46.4° | 180.0° |
| C52 | C51 | C50 | C48 | 137.2° | 180.0° |
| C51 | C52 | O53 | H30 | 119.6° | 120.1° |
| C51 | C52 | O53 | H31 | 119.6° | 120.0° |
| C51 | C52 | O53 | C54 | 146.5° | 180.0° |
| C52 | C51 | C50 | H26 | 16.7° | 60.0° |
| C52 | C51 | C50 | H27 | 102.2° | 60.0° |
| C52 | C51 | H28 | H29 | 119.5° | 120.0° |
| C51 | C52 | H30 | H31 | 121.2° | 120.0° |
| O49 | C48 | C50 | O1 | 179.9° | 179.7° |
| O49 | C48 | C50 | H26 | 106.0° | 120.3° |
| O49 | C48 | C50 | H27 | 12.9° | 119.7° |
| O49 | C48 | O1 | H1 | 0.0° | 0.2° |
| C48 | C50 | H26 | H27 | 118.3° | 120.0° |
| C48 | C50 | C51 | H28 | 17.1° | 60.0° |
| C48 | C50 | C51 | H29 | 102.6° | 60.0° |
| C50 | C48 | O1 | H1 | 179.9° | 180.0° |
| C52 | O53 | C54 | C55 | 95.9° | 0.0° |
| C52 | O53 | C54 | C59 | 83.9° | 179.8° |
| O53 | C52 | C51 | H28 | 101.2° | 60.0° |
| O53 | C52 | C51 | H29 | 139.2° | 60.0° |
| O53 | C52 | H30 | H31 | 121.2° | 119.9° |
| O53 | C54 | C55 | C59 | 179.9° | 179.7° |
| O53 | C54 | C55 | C56 | 180.0° | 179.7° |
| O53 | C54 | C59 | CL60 | 0.1° | 0.3° |
| O53 | C54 | C59 | C58 | 180.0° | 179.8° |
| C54 | O53 | C52 | H30 | 26.9° | 59.9° |
| C54 | O53 | C52 | H31 | 93.9° | 60.0° |
| O53 | C54 | C55 | H32 | 0.1° | 0.3° |
| C54 | C55 | C56 | H32 | 180.0° | 180.0° |
| C55 | C54 | C59 | CL60 | 180.0° | 180.0° |
| C55 | C54 | C59 | C58 | 0.2° | 0.0° |
| C54 | C55 | C56 | C57 | 0.1° | 0.0° |
| C54 | C55 | C56 | H33 | 179.9° | 180.0° |
| C59 | C54 | C55 | C56 | 0.2° | 0.0° |
| C54 | C59 | CL60 | C58 | 179.9° | 179.9° |
| C54 | C59 | C58 | C57 | 0.1° | 0.0° |
| C59 | C54 | C55 | H32 | 179.8° | 180.0° |
| C54 | C59 | C58 | H34 | 179.9° | 179.9° |
| C55 | C56 | C57 | H33 | 180.0° | 179.9° |
| C55 | C56 | C57 | C58 | 0.1° | 0.0° |
| C55 | C56 | C57 | CL61 | 180.0° | 180.0° |
| CL60 | C59 | C58 | C57 | 180.0° | 180.0° |
| CL60 | C59 | C58 | H34 | 0.0° | 0.0° |
| C59 | C58 | C57 | C56 | 0.1° | 0.0° |
| C59 | C58 | C57 | H34 | 180.0° | 180.0° |
| C59 | C58 | C57 | CL61 | 180.0° | 180.0° |
| C56 | C57 | C58 | CL61 | 180.0° | 180.0° |
| C57 | C56 | C55 | H32 | 179.9° | 179.9° |
| C56 | C57 | C58 | H34 | 179.9° | 180.0° |
| C58 | C57 | C56 | H33 | 180.0° | 180.0° |
| CL61 | C57 | C56 | H33 | 0.0° | 0.0° |
| CL61 | C57 | C58 | H34 | 0.1° | 0.0° |
| H26 | C50 | C51 | H28 | 103.5° | 179.9° |
| H26 | C50 | C51 | H29 | 136.8° | 60.0° |
| H26 | C50 | C48 | O1 | 74.1° | 60.0° |
| H27 | C50 | C51 | H28 | 137.6° | 60.0° |
| H27 | C50 | C51 | H29 | 17.9° | 180.0° |
| H27 | C50 | C48 | O1 | 167.0° | 60.0° |
| H28 | C51 | C52 | H30 | 18.4° | 180.0° |
| H28 | C51 | C52 | H31 | 139.2° | 60.0° |
| H29 | C51 | C52 | H30 | 101.2° | 60.0° |
| H29 | C51 | C52 | H31 | 19.6° | 180.0° |
| H32 | C55 | C56 | H33 | 0.1° | 0.0° |
