0YE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C27 | sing | 1.51Å | 1.50Å | |
| C14 | C27 | doub | 1.35Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| C27 | O5 | sing | 1.34Å | 1.36Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.48Å | 1.49Å | |
| C16 | N3 | doub | 1.31Å | 1.35Å | Aromatic |
| O5 | N3 | sing | 1.21Å | 1.42Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | OXT | sing | 1.34Å | 28.10Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 104.3° | 109.5° |
| C12 | C11 | O2 | 120.7° | 120.0° |
| C11 | C12 | H16 | 110.8° | 109.4° |
| C11 | C12 | H17 | 110.7° | 109.5° |
| C12 | C11 | OXT | 28.8° | 120.0° |
| C12 | C13 | C27 | 114.4° | 109.5° |
| C13 | C12 | H16 | 110.7° | 109.5° |
| C13 | C12 | H17 | 110.8° | 109.5° |
| C12 | C13 | H18 | 108.2° | 109.5° |
| C12 | C13 | H19 | 108.3° | 109.5° |
| O2 | C11 | OXT | 99.2° | 120.0° |
| C13 | C27 | C14 | 132.4° | 126.7° |
| C13 | C27 | O5 | 122.6° | 126.6° |
| C27 | C13 | H18 | 108.2° | 109.4° |
| C27 | C13 | H19 | 108.2° | 109.5° |
| C27 | C14 | C16 | 107.8° | 104.0° |
| C14 | C27 | O5 | 105.0° | 106.7° |
| C27 | C14 | H20 | 126.1° | 128.0° |
| C14 | C16 | C21 | 129.3° | 126.9° |
| C14 | C16 | N3 | 110.0° | 106.1° |
| C16 | C14 | H20 | 126.1° | 128.0° |
| C27 | O5 | N3 | 112.6° | 111.8° |
| C23 | C22 | C21 | 119.8° | 119.9° |
| C22 | C23 | C24 | 119.2° | 120.1° |
| C23 | C22 | H21 | 120.1° | 120.1° |
| C22 | C23 | H22 | 120.4° | 119.9° |
| C22 | C21 | C16 | 121.0° | 120.1° |
| C22 | C21 | C26 | 120.8° | 119.8° |
| C21 | C22 | H21 | 120.1° | 120.1° |
| C23 | C24 | C25 | 121.2° | 120.2° |
| C24 | C23 | H22 | 120.4° | 119.9° |
| C23 | C24 | H23 | 119.4° | 119.9° |
| C21 | C16 | N3 | 120.7° | 127.0° |
| C16 | C21 | C26 | 118.2° | 120.1° |
| C16 | N3 | O5 | 104.6° | 111.4° |
| C21 | C26 | C25 | 119.7° | 119.9° |
| C21 | C26 | H25 | 120.2° | 120.1° |
| C24 | C25 | C26 | 119.3° | 120.1° |
| C25 | C24 | H23 | 119.4° | 119.9° |
| C24 | C25 | H24 | 120.4° | 119.9° |
| C26 | C25 | H24 | 120.4° | 120.0° |
| C25 | C26 | H25 | 120.2° | 120.1° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| C11 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H16 | 119.2° | 119.9° |
| C11 | C12 | C13 | H17 | 119.2° | 120.0° |
| C12 | C11 | O2 | OXT | 20.6° | 179.9° |
| C11 | C12 | C13 | C27 | 113.7° | 180.0° |
| C11 | C12 | H16 | H17 | 122.4° | 120.0° |
| C11 | C12 | C13 | H18 | 125.6° | 60.1° |
| C11 | C12 | C13 | H19 | 7.0° | 60.0° |
| C12 | C11 | OXT | HXT | 90.0° | 180.0° |
| C13 | C12 | C11 | O2 | 53.5° | 0.1° |
| C12 | C13 | C27 | H18 | 120.7° | 120.0° |
| C12 | C13 | C27 | H19 | 120.7° | 120.0° |
| C12 | C13 | C27 | C14 | 13.3° | 90.0° |
| C12 | C13 | C27 | O5 | 167.6° | 90.0° |
| C13 | C12 | H16 | H17 | 122.4° | 120.1° |
| C12 | C13 | H18 | H19 | 117.8° | 120.0° |
| C13 | C12 | C11 | OXT | 7.5° | 180.0° |
| O2 | C11 | C12 | H16 | 172.7° | 120.0° |
| O2 | C11 | C12 | H17 | 65.6° | 120.0° |
| O2 | C11 | OXT | HXT | 90.0° | 0.0° |
| C13 | C27 | C14 | O5 | 179.2° | 180.0° |
| C13 | C27 | C14 | C16 | 179.0° | 180.0° |
| C13 | C27 | O5 | N3 | 178.9° | 180.0° |
| C27 | C13 | C12 | H16 | 5.5° | 60.1° |
| C27 | C13 | C12 | H17 | 127.1° | 60.0° |
| C27 | C13 | H18 | H19 | 117.7° | 120.0° |
| C13 | C27 | C14 | H20 | 1.0° | 0.0° |
| C27 | C14 | C16 | H20 | 180.0° | 180.0° |
| C27 | C14 | C16 | C21 | 179.4° | 180.0° |
| C27 | C14 | C16 | N3 | 0.0° | 0.0° |
| C14 | C27 | O5 | N3 | 0.4° | 0.0° |
| C14 | C27 | C13 | H18 | 107.4° | 30.0° |
| C14 | C27 | C13 | H19 | 134.0° | 150.0° |
| C16 | C14 | C27 | O5 | 0.2° | 0.0° |
| C14 | C16 | C21 | C22 | 13.9° | 0.2° |
| C14 | C16 | C21 | N3 | 179.3° | 180.0° |
| C14 | C16 | N3 | O5 | 0.3° | 0.0° |
| C14 | C16 | C21 | C26 | 166.8° | 180.0° |
| C27 | O5 | N3 | C16 | 0.4° | 0.0° |
| O5 | C27 | C13 | H18 | 71.7° | 150.0° |
| O5 | C27 | C13 | H19 | 46.8° | 30.0° |
| O5 | C27 | C14 | H20 | 179.8° | 179.9° |
| C23 | C22 | C21 | H21 | 180.0° | 180.0° |
| C22 | C23 | C24 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C16 | 179.8° | 180.0° |
| C23 | C22 | C21 | C26 | 0.5° | 0.2° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H23 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.1° |
| C22 | C21 | C16 | C26 | 179.3° | 179.8° |
| C22 | C21 | C16 | N3 | 165.4° | 179.8° |
| C22 | C21 | C26 | C25 | 0.4° | 0.5° |
| C21 | C22 | C23 | H22 | 179.6° | 180.0° |
| C22 | C21 | C26 | H25 | 179.6° | 179.8° |
| C23 | C24 | C25 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.3° |
| C24 | C23 | C22 | H21 | 179.5° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C21 | C16 | N3 | O5 | 179.7° | 180.0° |
| C16 | C21 | C26 | C25 | 179.6° | 179.7° |
| C21 | C16 | C14 | H20 | 0.6° | 0.0° |
| C16 | C21 | C22 | H21 | 0.2° | 0.0° |
| C16 | C21 | C26 | H25 | 0.4° | 0.0° |
| N3 | C16 | C21 | C26 | 13.8° | 0.0° |
| N3 | C16 | C14 | H20 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 0.1° | 0.6° |
| C21 | C26 | C25 | H25 | 180.0° | 179.7° |
| C26 | C21 | C22 | H21 | 179.4° | 179.8° |
| C21 | C26 | C25 | H24 | 179.9° | 179.7° |
| C24 | C25 | C26 | H24 | 180.0° | 179.7° |
| C25 | C24 | C23 | H22 | 179.8° | 180.0° |
| C24 | C25 | C26 | H25 | 179.9° | 179.7° |
| C26 | C25 | C24 | H23 | 180.0° | 179.7° |
| H16 | C12 | C13 | H18 | 115.3° | 180.0° |
| H16 | C12 | C13 | H19 | 126.2° | 59.9° |
| H16 | C12 | C11 | OXT | 126.6° | 60.0° |
| H17 | C12 | C13 | H18 | 6.4° | 60.0° |
| H17 | C12 | C13 | H19 | 112.1° | 180.0° |
| H17 | C12 | C11 | OXT | 111.7° | 59.9° |
| H21 | C22 | C23 | H22 | 0.5° | 0.0° |
| H22 | C23 | C24 | H23 | 0.2° | 0.0° |
| H23 | C24 | C25 | H24 | 0.0° | 0.0° |
| H24 | C25 | C26 | H25 | 0.1° | 0.0° |
