39Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C8 | doub | 1.22Å | 1.24Å | |
| C8 | C9 | sing | 1.47Å | 1.48Å | |
| C9 | C10 | doub | 1.33Å | 1.31Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | OXT | sing | 1.35Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C8 | C9 | 123.1° | 120.0° |
| O | C8 | OXT | 121.9° | 120.0° |
| C8 | C9 | C10 | 121.0° | 120.0° |
| C8 | C9 | H14 | 119.5° | 120.0° |
| C9 | C8 | OXT | 115.0° | 120.0° |
| C9 | C10 | C11 | 124.2° | 120.0° |
| C10 | C9 | H14 | 119.5° | 120.0° |
| C9 | C10 | H15 | 117.9° | 120.0° |
| C10 | C11 | C12 | 112.9° | 109.5° |
| C11 | C10 | H15 | 117.9° | 119.9° |
| C10 | C11 | H16 | 108.6° | 109.5° |
| C10 | C11 | H17 | 108.6° | 109.5° |
| C11 | C12 | C13 | 110.0° | 109.5° |
| C11 | C12 | C14 | 110.7° | 109.5° |
| C12 | C11 | H16 | 108.6° | 109.5° |
| C12 | C11 | H17 | 108.6° | 109.5° |
| C11 | C12 | H18 | 108.0° | 109.4° |
| C13 | C12 | C14 | 111.4° | 109.5° |
| C13 | C12 | H18 | 108.0° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.4° |
| C12 | C13 | H20 | 109.5° | 109.4° |
| C12 | C14 | C15 | 117.6° | 109.5° |
| C14 | C12 | H18 | 108.5° | 109.5° |
| C12 | C14 | H23 | 107.4° | 109.5° |
| C12 | C14 | H22 | 107.4° | 109.5° |
| C15 | C14 | H23 | 107.4° | 109.4° |
| C15 | C14 | H22 | 107.4° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.4° |
| C14 | C15 | H24 | 109.4° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| H21 | C13 | H19 | 109.5° | 109.5° |
| H21 | C13 | H20 | 109.4° | 109.5° |
| H19 | C13 | H20 | 109.4° | 109.5° |
| H23 | C14 | H22 | 109.4° | 109.5° |
| H26 | C15 | H24 | 109.5° | 109.5° |
| H26 | C15 | H25 | 109.5° | 109.4° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| C8 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C8 | C9 | OXT | 179.4° | 179.7° |
| O | C8 | C9 | C10 | 1.0° | 0.0° |
| O | C8 | C9 | H14 | 179.0° | 179.9° |
| O | C8 | OXT | HXT | 0.0° | 0.0° |
| C8 | C9 | C10 | H14 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C8 | C9 | C10 | H15 | 0.4° | 0.0° |
| C9 | C8 | OXT | HXT | 179.4° | 179.8° |
| C9 | C10 | C11 | H15 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 139.7° | 125.0° |
| C9 | C10 | C11 | H16 | 19.2° | 115.0° |
| C9 | C10 | C11 | H17 | 99.8° | 5.0° |
| C10 | C9 | C8 | OXT | 179.6° | 179.7° |
| C10 | C11 | C12 | H16 | 120.5° | 120.1° |
| C10 | C11 | C12 | H17 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 62.2° | 65.0° |
| C10 | C11 | C12 | C14 | 174.2° | 175.0° |
| C11 | C10 | C9 | H14 | 0.4° | 0.1° |
| C10 | C11 | H16 | H17 | 118.5° | 120.0° |
| C10 | C11 | C12 | H18 | 55.5° | 55.0° |
| C11 | C12 | C13 | C14 | 123.2° | 120.0° |
| C11 | C12 | C13 | H18 | 117.7° | 120.0° |
| C11 | C12 | C14 | H18 | 118.4° | 120.0° |
| C11 | C12 | C14 | C15 | 49.2° | 175.0° |
| C12 | C11 | C10 | H15 | 40.3° | 55.0° |
| C12 | C11 | H16 | H17 | 118.4° | 120.0° |
| C11 | C12 | C13 | H21 | 180.0° | 60.0° |
| C11 | C12 | C13 | H19 | 60.0° | 60.0° |
| C11 | C12 | C13 | H20 | 60.0° | 180.0° |
| C11 | C12 | C14 | H23 | 170.4° | 65.0° |
| C11 | C12 | C14 | H22 | 72.0° | 55.0° |
| C13 | C12 | C14 | H18 | 118.8° | 120.0° |
| C13 | C12 | C14 | C15 | 172.0° | 65.0° |
| C13 | C12 | C11 | H16 | 58.4° | 55.1° |
| C13 | C12 | C11 | H17 | 177.3° | 175.0° |
| C12 | C13 | H21 | H19 | 120.0° | 120.0° |
| C12 | C13 | H21 | H20 | 120.0° | 120.0° |
| C12 | C13 | H19 | H20 | 120.0° | 119.9° |
| C13 | C12 | C14 | H23 | 66.8° | 55.0° |
| C13 | C12 | C14 | H22 | 50.8° | 175.0° |
| C12 | C14 | C15 | H23 | 121.2° | 120.0° |
| C12 | C14 | C15 | H22 | 121.2° | 120.0° |
| C14 | C12 | C11 | H16 | 65.3° | 65.0° |
| C14 | C12 | C11 | H17 | 53.7° | 55.0° |
| C14 | C12 | C13 | H21 | 56.8° | 180.0° |
| C14 | C12 | C13 | H19 | 176.8° | 60.0° |
| C14 | C12 | C13 | H20 | 63.2° | 60.0° |
| C12 | C14 | H23 | H22 | 116.3° | 120.0° |
| C12 | C14 | C15 | H26 | 180.0° | 60.1° |
| C12 | C14 | C15 | H24 | 60.0° | 60.0° |
| C12 | C14 | C15 | H25 | 60.0° | 180.0° |
| C15 | C14 | C12 | H18 | 69.2° | 55.1° |
| C15 | C14 | H23 | H22 | 116.3° | 120.0° |
| C14 | C15 | H26 | H24 | 120.0° | 120.0° |
| C14 | C15 | H26 | H25 | 120.0° | 120.0° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| H14 | C9 | C10 | H15 | 179.6° | 179.9° |
| H14 | C9 | C8 | OXT | 0.4° | 0.2° |
| H15 | C10 | C11 | H16 | 160.8° | 65.0° |
| H15 | C10 | C11 | H17 | 80.2° | 175.0° |
| H16 | C11 | C12 | H18 | 176.0° | 175.1° |
| H17 | C11 | C12 | H18 | 65.0° | 65.0° |
| H18 | C12 | C13 | H21 | 62.3° | 60.0° |
| H18 | C12 | C13 | H19 | 57.7° | 180.0° |
| H18 | C12 | C13 | H20 | 177.7° | 60.0° |
| H18 | C12 | C14 | H23 | 52.0° | 175.0° |
| H18 | C12 | C14 | H22 | 169.6° | 65.0° |
| H21 | C13 | H19 | H20 | 119.9° | 120.1° |
| H23 | C14 | C15 | H26 | 58.8° | 180.0° |
| H23 | C14 | C15 | H24 | 178.8° | 60.0° |
| H23 | C14 | C15 | H25 | 61.2° | 60.0° |
| H22 | C14 | C15 | H26 | 58.8° | 60.0° |
| H22 | C14 | C15 | H24 | 61.2° | NaN° |
| H22 | C14 | C15 | H25 | 178.8° | 60.0° |
| H26 | C15 | H24 | H25 | 120.0° | 120.0° |
