MYF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C7 | doub | 1.22Å | 1.21Å | |
| C7 | C6 | sing | 1.47Å | 1.50Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.46Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.50Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.48Å | Aromatic |
| C1 | O21 | sing | 1.36Å | 1.33Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | O20 | sing | 1.36Å | 1.33Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | O10 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| O10 | C9 | sing | 1.39Å | 1.45Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.35Å | Aromatic |
| C9 | C11 | sing | 1.48Å | 1.48Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | O19 | sing | 1.36Å | 1.33Å | |
| C13 | C14 | doub | 1.40Å | 1.50Å | Aromatic |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| C14 | C15 | sing | 1.39Å | 1.51Å | Aromatic |
| C14 | O18 | sing | 1.36Å | 1.34Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | O17 | sing | 1.36Å | 1.35Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C7 | C6 | 122.3° | 122.3° |
| O22 | C7 | C8 | 118.4° | 121.5° |
| C6 | C7 | C8 | 119.3° | 116.2° |
| C7 | C6 | C1 | 125.3° | 120.8° |
| C7 | C6 | C5 | 117.5° | 118.8° |
| C7 | C8 | C9 | 119.3° | 119.4° |
| C7 | C8 | H8 | 120.4° | 118.0° |
| C1 | C6 | C5 | 117.2° | 120.4° |
| C6 | C1 | O21 | 121.5° | 122.6° |
| C6 | C1 | C2 | 119.6° | 119.5° |
| C6 | C5 | C4 | 119.2° | 120.0° |
| C6 | C5 | O10 | 119.7° | 122.9° |
| O21 | C1 | C2 | 119.0° | 117.9° |
| C1 | O21 | HO21 | 109.5° | 110.3° |
| C1 | C2 | C3 | 120.8° | 120.2° |
| C1 | C2 | H2 | 119.6° | 119.9° |
| C3 | C2 | H2 | 119.6° | 119.9° |
| C2 | C3 | O20 | 120.5° | 119.9° |
| C2 | C3 | C4 | 121.9° | 120.2° |
| O20 | C3 | C4 | 117.6° | 119.9° |
| C3 | O20 | HO20 | 109.5° | 110.2° |
| C3 | C4 | C5 | 121.4° | 119.8° |
| C3 | C4 | H4 | 119.3° | 119.5° |
| C4 | C5 | O10 | 121.1° | 117.1° |
| C5 | C4 | H4 | 119.3° | 120.8° |
| C5 | O10 | C9 | 120.7° | 118.4° |
| O10 | C9 | C8 | 123.6° | 124.3° |
| O10 | C9 | C11 | 115.5° | 114.0° |
| C8 | C9 | C11 | 120.7° | 121.8° |
| C9 | C8 | H8 | 120.3° | 122.6° |
| C9 | C11 | C12 | 119.5° | 120.1° |
| C9 | C11 | C16 | 117.5° | 120.2° |
| C12 | C11 | C16 | 122.7° | 119.7° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C11 | C12 | H12 | 119.7° | 120.3° |
| C11 | C16 | C15 | 121.3° | 120.2° |
| C11 | C16 | H16 | 119.3° | 120.4° |
| C13 | C12 | H12 | 119.7° | 119.6° |
| C12 | C13 | O19 | 117.8° | 119.4° |
| C12 | C13 | C14 | 119.5° | 120.0° |
| O19 | C13 | C14 | 122.7° | 120.6° |
| C13 | O19 | HO19 | 109.5° | 110.2° |
| C13 | C14 | C15 | 117.9° | 120.0° |
| C13 | C14 | O18 | 119.9° | 120.0° |
| C15 | C14 | O18 | 122.2° | 120.0° |
| C14 | C15 | C16 | 117.8° | 120.0° |
| C14 | C15 | O17 | 121.4° | 120.6° |
| C14 | O18 | HO18 | 109.5° | 110.2° |
| C16 | C15 | O17 | 120.8° | 119.4° |
| C15 | C16 | H16 | 119.3° | 119.5° |
| C15 | O17 | HO17 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C7 | C6 | C8 | 179.4° | 179.9° |
| O22 | C7 | C6 | C1 | 0.4° | 0.2° |
| O22 | C7 | C6 | C5 | 179.1° | 179.8° |
| O22 | C7 | C8 | C9 | 177.8° | 179.9° |
| O22 | C7 | C8 | H8 | 2.2° | 0.1° |
| C7 | C6 | C1 | C5 | 179.6° | 180.0° |
| C7 | C6 | C1 | O21 | 0.4° | 0.1° |
| C7 | C6 | C1 | C2 | 179.7° | 180.0° |
| C7 | C6 | C5 | C4 | 179.2° | 179.9° |
| C7 | C6 | C5 | O10 | 0.2° | 0.0° |
| C6 | C7 | C8 | C9 | 1.6° | 0.2° |
| C6 | C7 | C8 | H8 | 178.4° | 180.0° |
| C8 | C7 | C6 | C1 | 179.8° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C8 | C9 | O10 | 2.6° | 0.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | C11 | 176.4° | 179.6° |
| C6 | C1 | O21 | C2 | 179.3° | 179.9° |
| C6 | C1 | O21 | HO21 | 72.8° | 99.2° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.0° |
| C1 | C6 | C5 | O10 | 179.4° | 179.9° |
| C5 | C6 | C1 | O21 | 179.2° | 179.9° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | C3 | 1.9° | 0.0° |
| C6 | C5 | C4 | O10 | 179.3° | 179.9° |
| C6 | C5 | C4 | H4 | 178.1° | 179.9° |
| C6 | C5 | O10 | C9 | 0.7° | 0.5° |
| O21 | C1 | C2 | C3 | 179.7° | 179.9° |
| O21 | C1 | C2 | H2 | 0.3° | 0.1° |
| C2 | C1 | O21 | HO21 | 107.9° | 80.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O20 | 179.4° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C3 | O20 | C4 | 179.2° | 179.9° |
| C2 | C3 | O20 | HO20 | 4.7° | 115.2° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C2 | C3 | C4 | H4 | 178.6° | 180.0° |
| H2 | C2 | C3 | O20 | 0.6° | 0.1° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| O20 | C3 | C4 | C5 | 179.4° | 179.9° |
| O20 | C3 | C4 | H4 | 0.6° | 0.1° |
| C4 | C3 | O20 | HO20 | 176.1° | 64.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O10 | 178.8° | 179.9° |
| C4 | C5 | O10 | C9 | 180.0° | 179.6° |
| O10 | C5 | C4 | H4 | 1.2° | 0.0° |
| C5 | O10 | C9 | C8 | 2.2° | 0.8° |
| C5 | O10 | C9 | C11 | 176.3° | 179.8° |
| O10 | C9 | C8 | C11 | 173.8° | 178.9° |
| O10 | C9 | C8 | H8 | 177.4° | 179.5° |
| O10 | C9 | C11 | C12 | 167.7° | 149.1° |
| O10 | C9 | C11 | C16 | 18.2° | 31.0° |
| C8 | C9 | C11 | C12 | 18.0° | 29.9° |
| C8 | C9 | C11 | C16 | 156.1° | 150.0° |
| C11 | C9 | C8 | H8 | 3.6° | 0.6° |
| C9 | C11 | C12 | C16 | 173.7° | 179.9° |
| C9 | C11 | C12 | C13 | 177.1° | 180.0° |
| C9 | C11 | C12 | H12 | 3.0° | 0.1° |
| C9 | C11 | C16 | C15 | 176.8° | 180.0° |
| C9 | C11 | C16 | H16 | 3.1° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | O19 | 178.4° | 179.9° |
| C11 | C12 | C13 | C14 | 1.5° | 0.0° |
| C12 | C11 | C16 | C15 | 3.0° | 0.0° |
| C12 | C11 | C16 | H16 | 177.0° | 180.0° |
| C16 | C11 | C12 | C13 | 3.4° | 0.0° |
| C16 | C11 | C12 | H12 | 176.7° | 180.0° |
| C11 | C16 | C15 | C14 | 0.8° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | O17 | 179.7° | 179.9° |
| C12 | C13 | O19 | C14 | 179.9° | 180.0° |
| C12 | C13 | O19 | HO19 | 173.4° | 13.7° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C12 | C13 | C14 | O18 | 179.9° | 179.8° |
| H12 | C12 | C13 | O19 | 1.6° | 0.0° |
| H12 | C12 | C13 | C14 | 178.5° | 180.0° |
| O19 | C13 | C14 | C15 | 179.6° | 179.9° |
| O19 | C13 | C14 | O18 | 0.2° | 0.1° |
| C14 | C13 | O19 | HO19 | 6.4° | 166.3° |
| C13 | C14 | C15 | O18 | 179.3° | 179.8° |
| C13 | C14 | O18 | HO18 | 178.1° | 108.3° |
| C13 | C14 | C15 | C16 | 0.9° | 0.0° |
| C13 | C14 | C15 | O17 | 178.6° | 179.9° |
| C15 | C14 | O18 | HO18 | 1.2° | 71.9° |
| C14 | C15 | C16 | O17 | 179.5° | 180.0° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| C14 | C15 | O17 | HO17 | 171.6° | 77.9° |
| O18 | C14 | C15 | C16 | 179.8° | 179.8° |
| O18 | C14 | C15 | O17 | 0.8° | 0.1° |
| C16 | C15 | O17 | HO17 | 7.8° | 102.1° |
| O17 | C15 | C16 | H16 | 0.3° | 0.0° |
