YD4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | doub | 1.32Å | 1.36Å | Aromatic |
| N | C2 | sing | 1.32Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | N8 | doub | 1.32Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| N8 | C9 | sing | 1.32Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.55Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.54Å | |
| C6 | C26 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | N1 | sing | 1.47Å | 1.43Å | |
| C10 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | N2 | sing | 1.47Å | 1.45Å | |
| C9 | N1 | sing | 1.39Å | 1.46Å | |
| C9 | C21 | doub | 1.40Å | 1.37Å | Aromatic |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| C26 | C21 | sing | 1.40Å | 1.46Å | Aromatic |
| C26 | C25 | sing | 1.46Å | 1.41Å | |
| C21 | N3 | sing | 1.38Å | 1.41Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C25 | C23 | doub | 1.36Å | 1.39Å | |
| C14 | O | sing | 1.43Å | 1.42Å | |
| N3 | C22 | sing | 1.34Å | 1.37Å | |
| O | C15 | sing | 1.43Å | 1.46Å | |
| C23 | C22 | sing | 1.41Å | 1.49Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C22 | O3 | doub | 1.22Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.53Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | S | sing | 1.82Å | 1.78Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C19 | sing | 1.82Å | 1.78Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C2 | 119.5° | 121.9° |
| N | C3 | C4 | 121.3° | 120.6° |
| N | C3 | H6 | 119.4° | 119.7° |
| N | C2 | C1 | 120.2° | 121.1° |
| N | C2 | H7 | 119.9° | 119.5° |
| C3 | C4 | C6 | 117.9° | 120.6° |
| C3 | C4 | C5 | 119.3° | 118.9° |
| C4 | C3 | H6 | 119.4° | 119.7° |
| C2 | C1 | C5 | 120.2° | 119.2° |
| C2 | C1 | C | 119.2° | 120.4° |
| C1 | C2 | H7 | 119.9° | 119.4° |
| C10 | C11 | C12 | 113.1° | 109.2° |
| C11 | C10 | N1 | 110.3° | 109.5° |
| C11 | C10 | C14 | 111.8° | 109.2° |
| C11 | C10 | H14 | 108.3° | 109.6° |
| C10 | C11 | H22 | 108.6° | 109.5° |
| C10 | C11 | H23 | 108.5° | 109.4° |
| C11 | C12 | N2 | 112.9° | 109.5° |
| C11 | C12 | H20 | 108.6° | 109.5° |
| C11 | C12 | H21 | 108.6° | 109.4° |
| C12 | C11 | H22 | 108.6° | 109.5° |
| C12 | C11 | H23 | 108.5° | 109.5° |
| N8 | C7 | C6 | 120.9° | 121.1° |
| C7 | N8 | C9 | 120.5° | 122.7° |
| N8 | C7 | H12 | 119.6° | 119.4° |
| C7 | C6 | C4 | 116.6° | 120.8° |
| C7 | C6 | C26 | 119.1° | 118.4° |
| C6 | C7 | H12 | 119.6° | 119.5° |
| N8 | C9 | N1 | 120.2° | 119.9° |
| N8 | C9 | C21 | 119.7° | 120.4° |
| C6 | C4 | C5 | 122.7° | 120.5° |
| C4 | C6 | C26 | 124.3° | 120.8° |
| C4 | C5 | C1 | 119.4° | 118.3° |
| C4 | C5 | H8 | 120.3° | 120.9° |
| C5 | C1 | C | 120.5° | 120.4° |
| C1 | C5 | H8 | 120.3° | 120.8° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.4° |
| C6 | C26 | C21 | 119.1° | 118.6° |
| C6 | C26 | C25 | 122.4° | 122.0° |
| N1 | C10 | C14 | 108.0° | 109.5° |
| C10 | N1 | C9 | 120.0° | 119.9° |
| C10 | N1 | H13 | 106.8° | 120.0° |
| N1 | C10 | H14 | 109.8° | 109.5° |
| C10 | C14 | C13 | 112.4° | 109.2° |
| C10 | C14 | O | 107.8° | 109.5° |
| C14 | C10 | H14 | 108.6° | 109.5° |
| C10 | C14 | H15 | 108.6° | 109.5° |
| C12 | N2 | C13 | 113.3° | 111.2° |
| C12 | N2 | H18 | 108.5° | 111.0° |
| N2 | C12 | H20 | 108.6° | 109.5° |
| N2 | C12 | H21 | 108.6° | 109.5° |
| N1 | C9 | C21 | 120.1° | 119.8° |
| C9 | N1 | H13 | 106.8° | 120.1° |
| C9 | C21 | C26 | 120.8° | 118.7° |
| C9 | C21 | N3 | 117.6° | 121.7° |
| N2 | C13 | C14 | 116.4° | 109.5° |
| N2 | C13 | H16 | 107.7° | 109.5° |
| N2 | C13 | H17 | 107.7° | 109.4° |
| C13 | N2 | H18 | 108.5° | 111.0° |
| C21 | C26 | C25 | 118.6° | 119.3° |
| C26 | C21 | N3 | 121.6° | 119.6° |
| C26 | C25 | C23 | 120.1° | 118.4° |
| C26 | C25 | H5 | 120.0° | 120.8° |
| C21 | N3 | C22 | 119.7° | 120.9° |
| C21 | N3 | H1 | 120.2° | 119.5° |
| C13 | C14 | O | 109.6° | 109.5° |
| C13 | C14 | H15 | 108.4° | 109.5° |
| C14 | C13 | H16 | 107.7° | 109.4° |
| C14 | C13 | H17 | 107.7° | 109.4° |
| C25 | C23 | C22 | 120.2° | 120.1° |
| C25 | C23 | C24 | 121.7° | 119.9° |
| C23 | C25 | H5 | 119.9° | 120.8° |
| C14 | O | C15 | 114.4° | 114.0° |
| O | C14 | H15 | 109.9° | 109.5° |
| N3 | C22 | C23 | 119.9° | 121.7° |
| N3 | C22 | O3 | 120.3° | 119.2° |
| C22 | N3 | H1 | 120.2° | 119.6° |
| O | C15 | C16 | 109.9° | 109.5° |
| O | C15 | H24 | 109.4° | 109.5° |
| O | C15 | H25 | 109.3° | 109.5° |
| C22 | C23 | C24 | 118.2° | 119.9° |
| C23 | C22 | O3 | 119.8° | 119.2° |
| C23 | C24 | H2 | 109.5° | 109.4° |
| C23 | C24 | H3 | 109.5° | 109.5° |
| C23 | C24 | H4 | 109.5° | 109.5° |
| C15 | C16 | C17 | 108.5° | 109.2° |
| C15 | C16 | C20 | 109.2° | 109.3° |
| C16 | C15 | H24 | 109.4° | 109.5° |
| C16 | C15 | H25 | 109.4° | 109.4° |
| C15 | C16 | H26 | 108.8° | 109.3° |
| C16 | C17 | C18 | 112.2° | 110.0° |
| C17 | C16 | C20 | 111.5° | 110.6° |
| C17 | C16 | H26 | 109.7° | 109.2° |
| C16 | C17 | H33 | 108.8° | 109.4° |
| C16 | C17 | H34 | 108.8° | 109.4° |
| C17 | C18 | S | 102.1° | 109.0° |
| C17 | C18 | H31 | 111.3° | 109.5° |
| C17 | C18 | H32 | 111.3° | 109.6° |
| C18 | C17 | H33 | 108.8° | 109.4° |
| C18 | C17 | H34 | 108.8° | 109.3° |
| C16 | C20 | C19 | 113.5° | 110.0° |
| C20 | C16 | H26 | 109.1° | 109.2° |
| C16 | C20 | H27 | 108.5° | 109.3° |
| C16 | C20 | H28 | 108.5° | 109.3° |
| C18 | S | O1 | 110.4° | 108.6° |
| C18 | S | C19 | 113.1° | 101.3° |
| C18 | S | O2 | 106.3° | 108.8° |
| S | C18 | H31 | 111.3° | 109.6° |
| S | C18 | H32 | 111.3° | 109.6° |
| C20 | C19 | S | 104.7° | 109.0° |
| C19 | C20 | H27 | 108.5° | 109.4° |
| C19 | C20 | H28 | 108.5° | 109.4° |
| C20 | C19 | H29 | 110.6° | 109.5° |
| C20 | C19 | H30 | 110.6° | 109.6° |
| O1 | S | C19 | 108.9° | 108.7° |
| O1 | S | O2 | 109.6° | 119.3° |
| C19 | S | O2 | 108.4° | 108.7° |
| S | C19 | H29 | 110.7° | 109.5° |
| S | C19 | H30 | 110.6° | 109.7° |
| H2 | C24 | H3 | 109.5° | 109.5° |
| H2 | C24 | H4 | 109.5° | 109.5° |
| H3 | C24 | H4 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.4° | 109.5° |
| H10 | C | H11 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.6° |
| H24 | C15 | H25 | 109.5° | 109.4° |
| H27 | C20 | H28 | 109.4° | 109.3° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.6° |
| H33 | C17 | H34 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C4 | H6 | 180.0° | 179.9° |
| C3 | N | C2 | C1 | 0.6° | 0.0° |
| N | C3 | C4 | C6 | 179.0° | 180.0° |
| N | C3 | C4 | C5 | 2.5° | 0.3° |
| C3 | N | C2 | H7 | 179.4° | 180.0° |
| C2 | N | C3 | C4 | 1.6° | 0.0° |
| N | C2 | C1 | H7 | 180.0° | 180.0° |
| N | C2 | C1 | C5 | 0.5° | 0.3° |
| N | C2 | C1 | C | 179.9° | 180.0° |
| C2 | N | C3 | H6 | 178.3° | 179.9° |
| C3 | C4 | C6 | C7 | 120.4° | 130.3° |
| C3 | C4 | C6 | C5 | 176.4° | 179.7° |
| C3 | C4 | C5 | C1 | 2.3° | 0.6° |
| C3 | C4 | C6 | C26 | 57.3° | 49.7° |
| C3 | C4 | C5 | H8 | 177.7° | 179.7° |
| C2 | C1 | C5 | C4 | 1.3° | 0.6° |
| C2 | C1 | C5 | C | 179.6° | 179.7° |
| C2 | C1 | C5 | H8 | 178.7° | 179.7° |
| C2 | C1 | C | H9 | 90.2° | 90.0° |
| C2 | C1 | C | H10 | 149.8° | 150.0° |
| C2 | C1 | C | H11 | 29.8° | 30.0° |
| C10 | C11 | C12 | H22 | 120.6° | 120.0° |
| C10 | C11 | C12 | H23 | 120.5° | 119.9° |
| C11 | C10 | N1 | C14 | 122.5° | 119.7° |
| C11 | C10 | N1 | H14 | 119.2° | 120.2° |
| C11 | C10 | C14 | H14 | 119.4° | 120.0° |
| C10 | C11 | C12 | N2 | 51.4° | 59.2° |
| C11 | C10 | N1 | C9 | 138.4° | 85.4° |
| C11 | C10 | C14 | C13 | 45.0° | 57.7° |
| C11 | C10 | C14 | O | 166.0° | 177.6° |
| C11 | C10 | N1 | H13 | 16.9° | 94.6° |
| C11 | C10 | C14 | H15 | 75.0° | 62.3° |
| C10 | C11 | C12 | H20 | 69.1° | 60.8° |
| C10 | C11 | C12 | H21 | 172.0° | 179.2° |
| C10 | C11 | H22 | H23 | 118.3° | 120.1° |
| C12 | C11 | C10 | N1 | 119.4° | 177.5° |
| C12 | C11 | C10 | C14 | 0.8° | 57.7° |
| C11 | C12 | N2 | H20 | 120.5° | 120.1° |
| C11 | C12 | N2 | H21 | 120.5° | 120.0° |
| C11 | C12 | N2 | C13 | 53.0° | 61.8° |
| C12 | C11 | C10 | H14 | 120.4° | 62.3° |
| C11 | C12 | N2 | H18 | 173.6° | 62.3° |
| C11 | C12 | H20 | H21 | 118.4° | 119.9° |
| C12 | C11 | H22 | H23 | 118.3° | 120.1° |
| N8 | C7 | C6 | H12 | 180.0° | 179.1° |
| N8 | C7 | C6 | C4 | 178.6° | 179.4° |
| N8 | C7 | C6 | C26 | 0.9° | 0.6° |
| C7 | N8 | C9 | N1 | 179.9° | 179.4° |
| C7 | N8 | C9 | C21 | 0.2° | 0.6° |
| C6 | C7 | N8 | C9 | 0.6° | 0.9° |
| C7 | C6 | C4 | C26 | 177.7° | 180.0° |
| C7 | C6 | C4 | C5 | 56.0° | 50.0° |
| C7 | C6 | C26 | C21 | 0.8° | 0.0° |
| C7 | C6 | C26 | C25 | 179.7° | 179.7° |
| N8 | C9 | N1 | C10 | 8.4° | 0.0° |
| N8 | C9 | N1 | C21 | 179.9° | 180.0° |
| N8 | C9 | C21 | C26 | 0.2° | 0.0° |
| N8 | C9 | C21 | N3 | 179.8° | 179.7° |
| C9 | N8 | C7 | H12 | 179.4° | 180.0° |
| N8 | C9 | N1 | H13 | 113.1° | 180.0° |
| C6 | C4 | C5 | C1 | 178.6° | 179.7° |
| C4 | C6 | C26 | C21 | 178.4° | 180.0° |
| C4 | C6 | C26 | C25 | 2.1° | 0.3° |
| C6 | C4 | C3 | H6 | 1.0° | 0.1° |
| C6 | C4 | C5 | H8 | 1.4° | 0.0° |
| C4 | C6 | C7 | H12 | 1.3° | 0.4° |
| C4 | C5 | C1 | H8 | 180.0° | 179.7° |
| C4 | C5 | C1 | C | 179.1° | 179.7° |
| C5 | C4 | C6 | C26 | 126.4° | 130.0° |
| C5 | C4 | C3 | H6 | 177.5° | 179.8° |
| C5 | C1 | C2 | H7 | 179.5° | 179.7° |
| C5 | C1 | C | H9 | 90.2° | 89.7° |
| C5 | C1 | C | H10 | 29.8° | 30.4° |
| C5 | C1 | C | H11 | 149.8° | 150.3° |
| C | C1 | C2 | H7 | 0.1° | 0.0° |
| C | C1 | C5 | H8 | 0.9° | 0.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 119.9° |
| C6 | C26 | C21 | C9 | 0.4° | 0.3° |
| C6 | C26 | C21 | C25 | 179.6° | 179.7° |
| C6 | C26 | C21 | N3 | 179.6° | 180.0° |
| C6 | C26 | C25 | C23 | 179.7° | 180.0° |
| C6 | C26 | C25 | H5 | 0.3° | 0.0° |
| C26 | C6 | C7 | H12 | 179.1° | 179.7° |
| N1 | C10 | C14 | H14 | 119.0° | 120.1° |
| C10 | N1 | C9 | H13 | 121.5° | 180.0° |
| C10 | N1 | C9 | C21 | 171.5° | 180.0° |
| N1 | C10 | C14 | C13 | 166.5° | 177.5° |
| N1 | C10 | C14 | O | 72.5° | 62.5° |
| N1 | C10 | C14 | H15 | 46.6° | 57.6° |
| N1 | C10 | C11 | H22 | 1.1° | 57.6° |
| N1 | C10 | C11 | H23 | 120.1° | 62.5° |
| C14 | C10 | N1 | C9 | 99.1° | 155.0° |
| C10 | C14 | C13 | N2 | 45.6° | 59.2° |
| C10 | C14 | C13 | O | 120.0° | 120.0° |
| C10 | C14 | C13 | H15 | 120.0° | 119.9° |
| C10 | C14 | O | H15 | 118.2° | 120.1° |
| C10 | C14 | O | C15 | 161.4° | 150.0° |
| C14 | C10 | N1 | H13 | 139.5° | 25.0° |
| C10 | C14 | C13 | H16 | 166.6° | 60.9° |
| C10 | C14 | C13 | H17 | 75.3° | 179.2° |
| C14 | C10 | C11 | H22 | 121.4° | 62.2° |
| C14 | C10 | C11 | H23 | 119.7° | 177.6° |
| C12 | N2 | C13 | H18 | 120.6° | 124.1° |
| C12 | N2 | C13 | C14 | 4.4° | 61.8° |
| C12 | N2 | C13 | H16 | 116.6° | 58.3° |
| C12 | N2 | C13 | H17 | 125.4° | 178.3° |
| N2 | C12 | H20 | H21 | 118.4° | 120.0° |
| N2 | C12 | C11 | H22 | 172.0° | 60.7° |
| N2 | C12 | C11 | H23 | 69.1° | 179.1° |
| N1 | C9 | C21 | C26 | 180.0° | 180.0° |
| N1 | C9 | C21 | N3 | 0.0° | 0.3° |
| C9 | N1 | C10 | H14 | 19.2° | 34.9° |
| C9 | C21 | C26 | N3 | 180.0° | 179.7° |
| C9 | C21 | C26 | C25 | 180.0° | 180.0° |
| C9 | C21 | N3 | C22 | 179.5° | 179.7° |
| C9 | C21 | N3 | H1 | 0.5° | 0.3° |
| C21 | C9 | N1 | H13 | 67.1° | 0.0° |
| N2 | C13 | C14 | H16 | 121.0° | 120.1° |
| N2 | C13 | C14 | H17 | 121.0° | 120.0° |
| N2 | C13 | C14 | O | 165.6° | 179.1° |
| N2 | C13 | C14 | H15 | 74.4° | 60.7° |
| N2 | C13 | H16 | H17 | 116.8° | 120.0° |
| C13 | N2 | C12 | H20 | 67.5° | 58.3° |
| C13 | N2 | C12 | H21 | 173.6° | 178.3° |
| C21 | C26 | C25 | C23 | 0.1° | 0.3° |
| C26 | C21 | N3 | C22 | 0.5° | 0.0° |
| C26 | C21 | N3 | H1 | 179.5° | 180.0° |
| C21 | C26 | C25 | H5 | 179.8° | 179.7° |
| C25 | C26 | C21 | N3 | 0.0° | 0.3° |
| C26 | C25 | C23 | H5 | 180.0° | 180.0° |
| C26 | C25 | C23 | C22 | 0.1° | 0.0° |
| C26 | C25 | C23 | C24 | 179.5° | 180.0° |
| C21 | N3 | C22 | H1 | 180.0° | 180.0° |
| C21 | N3 | C22 | C23 | 0.8° | 0.3° |
| C21 | N3 | C22 | O3 | 179.9° | 180.0° |
| C13 | C14 | O | H15 | 119.1° | 120.1° |
| C13 | C14 | O | C15 | 75.9° | 90.2° |
| C13 | C14 | C10 | H14 | 74.5° | 62.4° |
| C14 | C13 | H16 | H17 | 116.9° | 119.9° |
| C14 | C13 | N2 | H18 | 124.9° | 62.3° |
| C25 | C23 | C22 | N3 | 0.6° | 0.4° |
| C25 | C23 | C22 | C24 | 179.7° | 179.9° |
| C25 | C23 | C22 | O3 | 179.9° | 180.0° |
| C25 | C23 | C24 | H2 | 180.0° | 180.0° |
| C25 | C23 | C24 | H3 | 60.0° | 60.0° |
| C25 | C23 | C24 | H4 | 60.0° | 60.0° |
| C14 | O | C15 | C16 | 164.2° | 180.0° |
| O | C14 | C10 | H14 | 46.5° | 57.6° |
| O | C14 | C13 | H16 | 73.4° | 59.1° |
| O | C14 | C13 | H17 | 44.6° | 60.9° |
| C14 | O | C15 | H24 | 44.2° | 60.0° |
| C14 | O | C15 | H25 | 75.7° | 60.0° |
| N3 | C22 | C23 | O3 | 179.3° | 179.7° |
| N3 | C22 | C23 | C24 | 179.0° | 179.7° |
| O | C15 | C16 | H24 | 120.1° | 120.0° |
| O | C15 | C16 | H25 | 120.0° | 120.0° |
| O | C15 | C16 | C17 | 64.1° | 63.8° |
| O | C15 | C16 | C20 | 174.2° | 175.0° |
| C15 | O | C14 | H15 | 43.2° | 29.9° |
| O | C15 | H24 | H25 | 119.8° | 120.0° |
| O | C15 | C16 | H26 | 55.2° | 55.6° |
| C23 | C22 | N3 | H1 | 179.2° | 179.7° |
| C22 | C23 | C24 | H2 | 0.4° | 0.0° |
| C22 | C23 | C24 | H3 | 119.7° | 120.0° |
| C22 | C23 | C24 | H4 | 120.4° | 120.1° |
| C22 | C23 | C25 | H5 | 179.9° | 180.0° |
| C24 | C23 | C22 | O3 | 0.3° | 0.1° |
| C23 | C24 | H2 | H3 | 120.0° | 120.0° |
| C23 | C24 | H2 | H4 | 120.0° | 120.0° |
| C23 | C24 | H3 | H4 | 120.0° | 120.0° |
| C24 | C23 | C25 | H5 | 0.5° | 0.0° |
| O3 | C22 | N3 | H1 | 0.1° | 0.0° |
| C15 | C16 | C17 | C20 | 120.3° | 120.3° |
| C15 | C16 | C17 | H26 | 118.7° | 119.4° |
| C15 | C16 | C17 | C18 | 165.2° | 169.7° |
| C15 | C16 | C20 | H26 | 118.7° | 119.5° |
| C15 | C16 | C20 | C19 | 171.5° | 169.7° |
| C16 | C15 | H24 | H25 | 119.8° | 120.0° |
| C15 | C16 | C20 | H27 | 67.9° | 70.1° |
| C15 | C16 | C20 | H28 | 50.9° | 49.5° |
| C15 | C16 | C17 | H33 | 44.8° | 49.6° |
| C15 | C16 | C17 | H34 | 74.4° | 70.2° |
| C16 | C17 | C18 | H33 | 120.4° | 120.2° |
| C16 | C17 | C18 | H34 | 120.4° | 120.1° |
| C17 | C16 | C20 | H26 | 121.4° | 120.2° |
| C16 | C17 | C18 | S | 62.2° | 63.6° |
| C17 | C16 | C20 | C19 | 68.6° | 70.0° |
| C17 | C16 | C15 | H24 | 55.9° | 56.2° |
| C17 | C16 | C15 | H25 | 175.8° | 176.2° |
| C17 | C16 | C20 | H27 | 52.0° | 50.2° |
| C17 | C16 | C20 | H28 | 170.8° | 169.8° |
| C16 | C17 | C18 | H31 | 56.6° | 176.5° |
| C16 | C17 | C18 | H32 | 179.0° | 56.3° |
| C16 | C17 | H33 | H34 | 118.8° | 119.8° |
| C18 | C17 | C16 | C20 | 74.5° | 70.0° |
| C17 | C18 | S | H31 | 118.8° | 119.8° |
| C17 | C18 | S | H32 | 118.8° | 119.9° |
| C17 | C18 | S | O1 | 172.9° | 168.6° |
| C17 | C18 | S | C19 | 50.6° | 54.3° |
| C17 | C18 | S | O2 | 68.2° | 60.1° |
| C18 | C17 | C16 | H26 | 46.5° | 50.3° |
| C17 | C18 | H31 | H32 | 123.4° | 120.2° |
| C18 | C17 | H33 | H34 | 118.8° | 119.7° |
| C16 | C20 | C19 | H27 | 120.6° | 120.1° |
| C16 | C20 | C19 | H28 | 120.6° | 120.1° |
| C16 | C20 | C19 | S | 52.8° | 63.7° |
| C20 | C16 | C15 | H24 | 65.8° | 64.9° |
| C20 | C16 | C15 | H25 | 54.1° | 55.0° |
| C16 | C20 | H27 | H28 | 118.2° | 119.6° |
| C16 | C20 | C19 | H29 | 172.1° | 176.5° |
| C16 | C20 | C19 | H30 | 66.4° | 56.3° |
| C20 | C16 | C17 | H33 | 165.1° | 169.9° |
| C20 | C16 | C17 | H34 | 45.9° | 50.1° |
| C18 | S | C19 | C20 | 47.0° | 54.3° |
| C18 | S | O1 | C19 | 124.8° | 109.4° |
| C18 | S | O1 | O2 | 116.8° | 125.3° |
| C18 | S | C19 | O2 | 117.6° | 114.4° |
| C18 | S | C19 | H29 | 166.2° | 174.2° |
| C18 | S | C19 | H30 | 72.3° | 65.6° |
| S | C18 | H31 | H32 | 123.4° | 120.3° |
| S | C18 | C17 | H33 | 177.3° | 176.2° |
| S | C18 | C17 | H34 | 58.2° | 56.5° |
| C20 | C19 | S | O1 | 170.2° | 168.7° |
| C20 | C19 | S | H29 | 119.2° | 119.8° |
| C20 | C19 | S | H30 | 119.3° | 119.9° |
| C20 | C19 | S | O2 | 70.6° | 60.1° |
| C19 | C20 | C16 | H26 | 52.8° | 50.2° |
| C19 | C20 | H27 | H28 | 118.2° | 119.8° |
| C20 | C19 | H29 | H30 | 122.2° | 120.2° |
| O1 | S | C19 | O2 | 119.2° | 131.2° |
| O1 | S | C19 | H29 | 70.6° | 71.5° |
| O1 | S | C19 | H30 | 50.9° | 48.7° |
| O1 | S | C18 | H31 | 54.1° | 71.6° |
| O1 | S | C18 | H32 | 68.3° | 48.7° |
| S | C19 | C20 | H27 | 67.8° | 56.5° |
| S | C19 | C20 | H28 | 173.4° | 176.2° |
| S | C19 | H29 | H30 | 122.2° | 120.3° |
| C19 | S | C18 | H31 | 68.2° | 174.1° |
| C19 | S | C18 | H32 | 169.4° | 65.6° |
| O2 | S | C19 | H29 | 48.6° | 59.7° |
| O2 | S | C19 | H30 | 170.1° | 179.9° |
| O2 | S | C18 | H31 | 172.9° | 59.7° |
| O2 | S | C18 | H32 | 50.5° | 180.0° |
| H2 | C24 | H3 | H4 | 120.0° | 120.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H13 | N1 | C10 | H14 | 102.3° | 145.1° |
| H14 | C10 | C14 | H15 | 165.6° | 177.7° |
| H14 | C10 | C11 | H22 | 119.0° | 177.8° |
| H14 | C10 | C11 | H23 | 0.1° | 57.6° |
| H15 | C14 | C13 | H16 | 46.6° | 179.2° |
| H15 | C14 | C13 | H17 | 164.6° | 59.2° |
| H16 | C13 | N2 | H18 | 4.0° | 177.7° |
| H17 | C13 | N2 | H18 | 114.0° | 57.7° |
| H18 | N2 | C12 | H20 | 53.1° | 177.7° |
| H18 | N2 | C12 | H21 | 65.9° | 57.7° |
| H20 | C12 | C11 | H22 | 51.5° | 179.2° |
| H20 | C12 | C11 | H23 | 170.4° | 59.0° |
| H21 | C12 | C11 | H22 | 67.5° | 59.3° |
| H21 | C12 | C11 | H23 | 51.4° | 60.9° |
| H24 | C15 | C16 | H26 | 175.3° | 175.6° |
| H25 | C15 | C16 | H26 | 64.8° | 64.4° |
| H26 | C16 | C20 | H27 | 173.4° | 170.4° |
| H26 | C16 | C20 | H28 | 67.8° | 69.9° |
| H26 | C16 | C17 | H33 | 73.9° | 69.9° |
| H26 | C16 | C17 | H34 | 166.9° | 170.4° |
| H27 | C20 | C19 | H29 | 51.5° | 63.4° |
| H27 | C20 | C19 | H30 | 173.0° | 176.5° |
| H28 | C20 | C19 | H29 | 67.3° | 56.4° |
| H28 | C20 | C19 | H30 | 54.2° | 63.8° |
| H31 | C18 | C17 | H33 | 63.8° | 56.3° |
| H31 | C18 | C17 | H34 | 177.0° | 63.4° |
| H32 | C18 | C17 | H33 | 58.6° | 63.9° |
| H32 | C18 | C17 | H34 | 60.6° | 176.4° |
