01Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O32 | doub | 1.21Å | 1.22Å | |
| C14 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | O21 | sing | 1.43Å | 1.39Å | |
| O21 | C44 | sing | 1.43Å | 1.41Å | |
| C45 | C44 | sing | 1.55Å | 1.59Å | |
| C45 | C47 | sing | 1.55Å | 1.56Å | |
| C44 | C49 | sing | 1.54Å | 1.55Å | |
| C49 | C48 | sing | 1.54Å | 1.53Å | |
| C47 | C48 | sing | 1.54Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C14 | OXT | sing | 1.34Å | 33.02Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C14 | C5 | 111.3° | 120.0° |
| O32 | C14 | OXT | 47.0° | 120.0° |
| C14 | C5 | O21 | 113.2° | 109.5° |
| C14 | C5 | H5 | 108.3° | 109.5° |
| C14 | C5 | H5A | 108.2° | 109.5° |
| C5 | C14 | OXT | 157.3° | 120.0° |
| C5 | O21 | C44 | 134.0° | 114.0° |
| O21 | C5 | H5 | 108.2° | 109.4° |
| O21 | C5 | H5A | 108.3° | 109.5° |
| O21 | C44 | C45 | 114.7° | 110.4° |
| O21 | C44 | C49 | 104.4° | 110.5° |
| O21 | C44 | H44 | 106.3° | 110.4° |
| C44 | C45 | C47 | 105.4° | 102.7° |
| C45 | C44 | C49 | 97.3° | 104.2° |
| C45 | C44 | H44 | 112.4° | 110.6° |
| C44 | C45 | H45 | 110.8° | 110.8° |
| C44 | C45 | H45A | 110.9° | 110.8° |
| C45 | C47 | C48 | 104.4° | 104.2° |
| C45 | C47 | H47 | 111.2° | 110.5° |
| C45 | C47 | H47A | 111.2° | 110.6° |
| C47 | C45 | H45 | 110.9° | 110.7° |
| C47 | C45 | H45A | 110.9° | 110.7° |
| C44 | C49 | C48 | 108.5° | 106.6° |
| C49 | C44 | H44 | 121.7° | 110.6° |
| C44 | C49 | H49 | 109.8° | 110.1° |
| C44 | C49 | H49A | 109.8° | 110.1° |
| C49 | C48 | C47 | 107.3° | 106.5° |
| C48 | C49 | H49 | 109.8° | 110.0° |
| C48 | C49 | H49A | 109.8° | 110.0° |
| C49 | C48 | H48 | 110.2° | 110.1° |
| C49 | C48 | H48A | 110.2° | 110.0° |
| C47 | C48 | H48 | 110.2° | 110.0° |
| C47 | C48 | H48A | 110.2° | 110.0° |
| C48 | C47 | H47 | 111.2° | 110.4° |
| C48 | C47 | H47A | 111.2° | 110.5° |
| H5 | C5 | H5A | 110.7° | 109.5° |
| H49 | C49 | H49A | 109.1° | 110.0° |
| H48 | C48 | H48A | 108.7° | 110.0° |
| H47 | C47 | H47A | 107.7° | 110.5° |
| H45 | C45 | H45A | 108.1° | 110.8° |
| C14 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C14 | C5 | OXT | 15.0° | 179.8° |
| O32 | C14 | C5 | O21 | 127.4° | 0.1° |
| O32 | C14 | C5 | H5 | 7.4° | 120.1° |
| O32 | C14 | C5 | H5A | 112.6° | 119.9° |
| O32 | C14 | OXT | HXT | 90.0° | 0.0° |
| C14 | C5 | O21 | H5 | 120.0° | 120.0° |
| C14 | C5 | O21 | H5A | 120.0° | 120.1° |
| C14 | C5 | O21 | C44 | 104.4° | 179.9° |
| C14 | C5 | H5 | H5A | 118.5° | 120.0° |
| C5 | C14 | OXT | HXT | 90.0° | 179.8° |
| C5 | O21 | C44 | C45 | 149.1° | 95.2° |
| C5 | O21 | C44 | C49 | 43.9° | 150.0° |
| O21 | C5 | H5 | H5A | 118.5° | 120.0° |
| C5 | O21 | C44 | H44 | 85.9° | 27.4° |
| O21 | C5 | C14 | OXT | 142.3° | 179.7° |
| O21 | C44 | C45 | C49 | 109.6° | 118.6° |
| O21 | C44 | C45 | H44 | 121.6° | 122.5° |
| O21 | C44 | C45 | C47 | 150.0° | 156.6° |
| O21 | C44 | C49 | H44 | 119.9° | 122.5° |
| O21 | C44 | C49 | C48 | 153.2° | 142.3° |
| C44 | O21 | C5 | H5 | 15.6° | 60.0° |
| C44 | O21 | C5 | H5A | 135.6° | 60.0° |
| O21 | C44 | C49 | H49 | 33.2° | 23.0° |
| O21 | C44 | C49 | H49A | 86.8° | 98.4° |
| O21 | C44 | C45 | H45 | 90.0° | 85.1° |
| O21 | C44 | C45 | H45A | 30.0° | 38.3° |
| C44 | C45 | C47 | H45 | 120.0° | 118.3° |
| C44 | C45 | C47 | H45A | 120.0° | 118.4° |
| C45 | C44 | C49 | H44 | 122.1° | 118.9° |
| C45 | C44 | C49 | C48 | 35.3° | 23.6° |
| C44 | C45 | C47 | C48 | 32.0° | 38.0° |
| C45 | C44 | C49 | H49 | 84.7° | 95.6° |
| C45 | C44 | C49 | H49A | 155.3° | 143.0° |
| C44 | C45 | C47 | H47 | 88.0° | 156.6° |
| C44 | C45 | C47 | H47A | 152.0° | 80.8° |
| C44 | C45 | H45 | H45A | 121.7° | 123.4° |
| C47 | C45 | C44 | C49 | 40.5° | 38.0° |
| C45 | C47 | C48 | C49 | 9.2° | 23.6° |
| C45 | C47 | C48 | H47 | 120.0° | 118.6° |
| C45 | C47 | C48 | H47A | 120.0° | 118.8° |
| C47 | C45 | C44 | H44 | 88.3° | 80.8° |
| C45 | C47 | C48 | H48 | 110.9° | 95.7° |
| C45 | C47 | C48 | H48A | 129.2° | 142.9° |
| C45 | C47 | H47 | H47A | 122.0° | 122.8° |
| C47 | C45 | H45 | H45A | 121.7° | 123.3° |
| C44 | C49 | C48 | H49 | 120.0° | 119.3° |
| C44 | C49 | C48 | H49A | 120.0° | 119.3° |
| C44 | C49 | C48 | C47 | 17.6° | 0.0° |
| C44 | C49 | H49 | H49A | 120.4° | 121.4° |
| C44 | C49 | C48 | H48 | 137.7° | 119.3° |
| C44 | C49 | C48 | H48A | 102.3° | 119.3° |
| C49 | C44 | C45 | H45 | 160.5° | 156.2° |
| C49 | C44 | C45 | H45A | 79.5° | 80.3° |
| C49 | C48 | C47 | H48 | 120.0° | 119.3° |
| C49 | C48 | C47 | H48A | 120.0° | 119.3° |
| C48 | C49 | C44 | H44 | 86.9° | 95.2° |
| C48 | C49 | H49 | H49A | 120.4° | 121.4° |
| C49 | C48 | H48 | H48A | 120.9° | 121.4° |
| C49 | C48 | C47 | H47 | 110.9° | 142.3° |
| C49 | C48 | C47 | H47A | 129.1° | 95.2° |
| C47 | C48 | C49 | H49 | 102.4° | 119.3° |
| C47 | C48 | C49 | H49A | 137.6° | 119.3° |
| C47 | C48 | H48 | H48A | 120.9° | 121.4° |
| C48 | C47 | H47 | H47A | 122.0° | 122.5° |
| C48 | C47 | C45 | H45 | 152.0° | 156.3° |
| C48 | C47 | C45 | H45A | 88.0° | 80.4° |
| H5 | C5 | C14 | OXT | 22.4° | 59.8° |
| H5A | C5 | C14 | OXT | 97.7° | 60.2° |
| H44 | C44 | C49 | H49 | 153.1° | 145.5° |
| H44 | C44 | C49 | H49A | 33.1° | 24.1° |
| H44 | C44 | C45 | H45 | 31.7° | 37.4° |
| H44 | C44 | C45 | H45A | 151.7° | 160.9° |
| H49 | C49 | C48 | H48 | 17.7° | 0.0° |
| H49 | C49 | C48 | H48A | 137.7° | 121.4° |
| H49A | C49 | C48 | H48 | 102.3° | 121.4° |
| H49A | C49 | C48 | H48A | 17.7° | 0.0° |
| H48 | C48 | C47 | H47 | 129.1° | 23.0° |
| H48 | C48 | C47 | H47A | 9.1° | 145.5° |
| H48A | C48 | C47 | H47 | 9.1° | 98.5° |
| H48A | C48 | C47 | H47A | 110.8° | 24.1° |
| H47 | C47 | C45 | H45 | 32.0° | 85.1° |
| H47 | C47 | C45 | H45A | 152.0° | 38.2° |
| H47A | C47 | C45 | H45 | 88.0° | 37.6° |
| H47A | C47 | C45 | H45A | 32.0° | 160.9° |
