DY6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | S2 | sing | 1.66Å | 1.72Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| C5 | S2 | sing | 1.76Å | 1.78Å | |
| O7 | S2 | doub | 1.42Å | 1.45Å | |
| S2 | O6 | doub | 1.42Å | 1.46Å | |
| C8 | C3 | sing | 1.51Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C9 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C10 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C9 | sing | 1.51Å | 1.49Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C14 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N21 | C18 | sing | 1.35Å | 1.37Å | |
| O22 | C18 | doub | 1.22Å | 1.22Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | N21 | sing | 1.39Å | 1.41Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| C24 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C24 | sing | 1.40Å | 1.37Å | Aromatic |
| C24 | C27 | sing | 1.47Å | 1.46Å | |
| C28 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| O31 | C27 | doub | 1.21Å | 1.26Å | |
| C27 | O30 | sing | 1.35Å | 1.26Å | |
| C29 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | S2 | 112.8° | 121.4° |
| C3 | N1 | C4 | 118.5° | 117.3° |
| N1 | C3 | C8 | 113.3° | 109.7° |
| N1 | C3 | H3 | 108.2° | 109.4° |
| N1 | C3 | H3A | 107.4° | 109.5° |
| S2 | N1 | C4 | 115.2° | 121.3° |
| N1 | S2 | C5 | 90.8° | 107.3° |
| N1 | S2 | O7 | 110.8° | 106.4° |
| N1 | S2 | O6 | 113.0° | 106.4° |
| N1 | C4 | C9 | 116.8° | 107.9° |
| N1 | C4 | H4 | 107.1° | 109.8° |
| N1 | C4 | H4A | 105.4° | 109.8° |
| C5 | S2 | O7 | 106.9° | 106.4° |
| C5 | S2 | O6 | 109.8° | 106.4° |
| S2 | C5 | C10 | 119.9° | 119.9° |
| S2 | C5 | C11 | 118.4° | 119.9° |
| O7 | S2 | O6 | 121.1° | 123.1° |
| C8 | C3 | H3 | 108.2° | 109.4° |
| C8 | C3 | H3A | 107.3° | 109.4° |
| C3 | C8 | C13 | 119.4° | 117.8° |
| C3 | C8 | C12 | 119.9° | 122.3° |
| H3 | C3 | H3A | 112.5° | 109.4° |
| C9 | C4 | H4 | 107.1° | 109.8° |
| C9 | C4 | H4A | 105.4° | 109.8° |
| C4 | C9 | C12 | 111.7° | 110.8° |
| C4 | C9 | H9 | 108.7° | 109.1° |
| C4 | C9 | H9A | 108.2° | 109.2° |
| H4 | C4 | H4A | 115.4° | 109.8° |
| C10 | C5 | C11 | 121.7° | 120.2° |
| C5 | C10 | C14 | 118.2° | 119.9° |
| C5 | C10 | H10 | 120.9° | 120.0° |
| C5 | C11 | C15 | 119.2° | 120.3° |
| C5 | C11 | H11 | 120.4° | 119.8° |
| C13 | C8 | C12 | 120.7° | 119.9° |
| C8 | C13 | C17 | 119.3° | 120.5° |
| C8 | C13 | H13 | 120.3° | 119.8° |
| C8 | C12 | C9 | 121.0° | 122.8° |
| C8 | C12 | C16 | 119.7° | 119.5° |
| C12 | C9 | H9 | 108.7° | 109.3° |
| C12 | C9 | H9A | 108.2° | 109.2° |
| C9 | C12 | C16 | 119.3° | 117.7° |
| H9 | C9 | H9A | 111.2° | 109.2° |
| C14 | C10 | H10 | 120.9° | 120.1° |
| C10 | C14 | C18 | 120.2° | 120.2° |
| C10 | C14 | C19 | 120.9° | 119.7° |
| C15 | C11 | H11 | 120.4° | 119.9° |
| C11 | C15 | C19 | 119.9° | 120.1° |
| C11 | C15 | H15 | 120.0° | 119.9° |
| C12 | C16 | C20 | 120.0° | 120.6° |
| C12 | C16 | H16 | 120.0° | 119.7° |
| C17 | C13 | H13 | 120.4° | 119.7° |
| C13 | C17 | C20 | 120.5° | 119.7° |
| C13 | C17 | H17 | 119.8° | 120.1° |
| C18 | C14 | C19 | 118.9° | 120.1° |
| C14 | C18 | N21 | 113.9° | 120.0° |
| C14 | C18 | O22 | 120.4° | 120.0° |
| C14 | C19 | C15 | 120.1° | 119.9° |
| C14 | C19 | H19 | 120.0° | 120.1° |
| C19 | C15 | H15 | 120.0° | 119.9° |
| C15 | C19 | H19 | 119.9° | 120.1° |
| C20 | C16 | H16 | 120.0° | 119.7° |
| C16 | C20 | C17 | 119.9° | 119.9° |
| C16 | C20 | H20 | 120.0° | 120.1° |
| C20 | C17 | H17 | 119.8° | 120.2° |
| C17 | C20 | H20 | 120.1° | 120.1° |
| N21 | C18 | O22 | 125.7° | 120.0° |
| C18 | N21 | C23 | 122.6° | 120.0° |
| C18 | N21 | HN21 | 118.7° | 120.1° |
| C23 | N21 | HN21 | 118.7° | 120.0° |
| N21 | C23 | C24 | 119.4° | 120.1° |
| N21 | C23 | C25 | 120.7° | 120.2° |
| C24 | C23 | C25 | 119.9° | 119.6° |
| C23 | C24 | C26 | 120.4° | 119.6° |
| C23 | C24 | C27 | 121.2° | 120.2° |
| C23 | C25 | C28 | 119.7° | 120.1° |
| C23 | C25 | H25 | 120.1° | 120.0° |
| C26 | C24 | C27 | 118.5° | 120.3° |
| C24 | C26 | C29 | 119.5° | 120.0° |
| C24 | C26 | H26 | 120.3° | 120.0° |
| C24 | C27 | O31 | 115.9° | 120.0° |
| C24 | C27 | O30 | 117.2° | 120.0° |
| C28 | C25 | H25 | 120.1° | 119.9° |
| C25 | C28 | C29 | 120.1° | 120.4° |
| C25 | C28 | H28 | 119.9° | 119.8° |
| C29 | C26 | H26 | 120.3° | 120.0° |
| C26 | C29 | C28 | 120.4° | 120.3° |
| C26 | C29 | H29 | 119.7° | 119.8° |
| O31 | C27 | O30 | 126.8° | 120.0° |
| C27 | O30 | HO30 | 109.5° | 117.0° |
| C29 | C28 | H28 | 120.0° | 119.8° |
| C28 | C29 | H29 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | S2 | C4 | 140.3° | 179.6° |
| C3 | N1 | S2 | C5 | 109.9° | 89.7° |
| C3 | N1 | S2 | O7 | 1.4° | 156.8° |
| C3 | N1 | S2 | O6 | 138.2° | 23.9° |
| N1 | C3 | C8 | H3 | 120.0° | 120.0° |
| N1 | C3 | C8 | H3A | 118.4° | 120.1° |
| N1 | C3 | H3 | H3A | 118.4° | 120.0° |
| C3 | N1 | C4 | C9 | 2.3° | 64.6° |
| C3 | N1 | C4 | H4 | 117.6° | 54.9° |
| C3 | N1 | C4 | H4A | 119.0° | 175.8° |
| N1 | C3 | C8 | C13 | 146.2° | 168.9° |
| N1 | C3 | C8 | C12 | 34.0° | 11.3° |
| N1 | S2 | C5 | O7 | 112.1° | 113.6° |
| N1 | S2 | C5 | O6 | 114.8° | 113.5° |
| N1 | S2 | O7 | O6 | 135.8° | 122.9° |
| S2 | N1 | C3 | C8 | 170.7° | 135.7° |
| S2 | N1 | C3 | H3 | 50.7° | 15.7° |
| S2 | N1 | C3 | H3A | 71.0° | 104.3° |
| S2 | N1 | C4 | C9 | 135.6° | 115.7° |
| S2 | N1 | C4 | H4 | 104.5° | 124.7° |
| S2 | N1 | C4 | H4A | 18.9° | 3.9° |
| N1 | S2 | C5 | C10 | 92.6° | 89.8° |
| N1 | S2 | C5 | C11 | 86.0° | 90.0° |
| C4 | N1 | S2 | C5 | 109.9° | 90.0° |
| C4 | N1 | S2 | O7 | 141.7° | 23.6° |
| C4 | N1 | S2 | O6 | 2.1° | 156.5° |
| C4 | N1 | C3 | C8 | 31.8° | 44.7° |
| C4 | N1 | C3 | H3 | 88.2° | 164.7° |
| C4 | N1 | C3 | H3A | 150.2° | 75.4° |
| N1 | C4 | C9 | H4 | 120.0° | 119.6° |
| N1 | C4 | C9 | H4A | 116.6° | 119.6° |
| N1 | C4 | H4 | H4A | 117.0° | 120.8° |
| N1 | C4 | C9 | C12 | 34.6° | 47.3° |
| N1 | C4 | C9 | H9 | 154.6° | 167.7° |
| N1 | C4 | C9 | H9A | 84.4° | 72.9° |
| C5 | S2 | O7 | O6 | 126.6° | 123.0° |
| S2 | C5 | C10 | C11 | 178.5° | 179.7° |
| S2 | C5 | C10 | C14 | 179.4° | 179.9° |
| S2 | C5 | C10 | H10 | 0.7° | 0.0° |
| S2 | C5 | C11 | C15 | 179.1° | 180.0° |
| S2 | C5 | C11 | H11 | 0.9° | 0.0° |
| O7 | S2 | C5 | C10 | 19.5° | 23.8° |
| O7 | S2 | C5 | C11 | 161.9° | 156.4° |
| O6 | S2 | C5 | C10 | 152.6° | 156.7° |
| O6 | S2 | C5 | C11 | 28.9° | 23.6° |
| C8 | C3 | H3 | H3A | 118.4° | 119.9° |
| C3 | C8 | C13 | C12 | 179.8° | 179.9° |
| C3 | C8 | C12 | C9 | 0.0° | 0.7° |
| C3 | C8 | C12 | C16 | 179.8° | 179.3° |
| C3 | C8 | C13 | C17 | 179.7° | 179.6° |
| C3 | C8 | C13 | H13 | 0.3° | 0.5° |
| H3 | C3 | C8 | C13 | 93.8° | 48.9° |
| H3 | C3 | C8 | C12 | 86.0° | 131.3° |
| H3A | C3 | C8 | C13 | 27.8° | 71.0° |
| H3A | C3 | C8 | C12 | 152.3° | 108.9° |
| C9 | C4 | H4 | H4A | 117.0° | 120.8° |
| C4 | C9 | C12 | C8 | 34.6° | 19.5° |
| C4 | C9 | C12 | H9 | 120.0° | 120.3° |
| C4 | C9 | C12 | H9A | 119.0° | 120.3° |
| C4 | C9 | H9 | H9A | 119.1° | 119.3° |
| C4 | C9 | C12 | C16 | 145.7° | 160.5° |
| H4 | C4 | C9 | C12 | 85.4° | 72.2° |
| H4 | C4 | C9 | H9 | 34.6° | 48.2° |
| H4 | C4 | C9 | H9A | 155.6° | 167.5° |
| H4A | C4 | C9 | C12 | 151.2° | 166.9° |
| H4A | C4 | C9 | H9 | 88.7° | 72.7° |
| H4A | C4 | C9 | H9A | 32.2° | 46.7° |
| C5 | C10 | C14 | H10 | 180.0° | 180.0° |
| C10 | C5 | C11 | C15 | 0.6° | 0.2° |
| C10 | C5 | C11 | H11 | 179.4° | 179.7° |
| C5 | C10 | C14 | C18 | 179.3° | 180.0° |
| C5 | C10 | C14 | C19 | 0.5° | 0.1° |
| C11 | C5 | C10 | C14 | 0.9° | 0.2° |
| C11 | C5 | C10 | H10 | 179.1° | 179.8° |
| C5 | C11 | C15 | H11 | 180.0° | 180.0° |
| C5 | C11 | C15 | C19 | 0.0° | 0.0° |
| C5 | C11 | C15 | H15 | 180.0° | 180.0° |
| C13 | C8 | C12 | C9 | 179.8° | 179.4° |
| C13 | C8 | C12 | C16 | 0.1° | 0.5° |
| C8 | C13 | C17 | H13 | 180.0° | 179.9° |
| C8 | C13 | C17 | C20 | 0.1° | 0.2° |
| C8 | C13 | C17 | H17 | 179.9° | 179.9° |
| C8 | C12 | C9 | C16 | 179.7° | 179.9° |
| C8 | C12 | C9 | H9 | 154.6° | 139.8° |
| C8 | C12 | C9 | H9A | 84.4° | 100.8° |
| C12 | C8 | C13 | C17 | 0.2° | 0.3° |
| C12 | C8 | C13 | H13 | 179.8° | 179.6° |
| C8 | C12 | C16 | C20 | 0.1° | 0.4° |
| C8 | C12 | C16 | H16 | 179.9° | 179.6° |
| C12 | C9 | H9 | H9A | 119.1° | 119.4° |
| C9 | C12 | C16 | C20 | 179.6° | 179.6° |
| C9 | C12 | C16 | H16 | 0.4° | 0.4° |
| H9 | C9 | C12 | C16 | 25.7° | 40.2° |
| H9A | C9 | C12 | C16 | 95.3° | 79.2° |
| C10 | C14 | C18 | C19 | 179.8° | 180.0° |
| C10 | C14 | C19 | C15 | 0.1° | 0.3° |
| C10 | C14 | C18 | N21 | 138.7° | 180.0° |
| C10 | C14 | C18 | O22 | 41.6° | 0.1° |
| C10 | C14 | C19 | H19 | 179.9° | 180.0° |
| H10 | C10 | C14 | C18 | 0.7° | 0.0° |
| H10 | C10 | C14 | C19 | 179.5° | 180.0° |
| C11 | C15 | C19 | C14 | 0.4° | 0.3° |
| C11 | C15 | C19 | H15 | 180.0° | 180.0° |
| C11 | C15 | C19 | H19 | 179.6° | 180.0° |
| H11 | C11 | C15 | C19 | 180.0° | 180.0° |
| H11 | C11 | C15 | H15 | 0.0° | 0.0° |
| C12 | C16 | C20 | H16 | 180.0° | 180.0° |
| C12 | C16 | C20 | C17 | 0.2° | 0.0° |
| C12 | C16 | C20 | H20 | 179.8° | 179.9° |
| C13 | C17 | C20 | C16 | 0.1° | 0.3° |
| C13 | C17 | C20 | H17 | 180.0° | 179.9° |
| C13 | C17 | C20 | H20 | 179.9° | 179.8° |
| H13 | C13 | C17 | C20 | 179.9° | 179.9° |
| H13 | C13 | C17 | H17 | 0.1° | 0.0° |
| C18 | C14 | C19 | C15 | 180.0° | 179.7° |
| C14 | C18 | N21 | O22 | 179.6° | 180.0° |
| C18 | C14 | C19 | H19 | 0.0° | 0.0° |
| C14 | C18 | N21 | C23 | 178.8° | 175.6° |
| C14 | C18 | N21 | HN21 | 1.2° | 4.4° |
| C14 | C19 | C15 | H19 | 180.0° | 179.7° |
| C14 | C19 | C15 | H15 | 179.6° | 179.7° |
| C19 | C14 | C18 | N21 | 41.4° | 0.0° |
| C19 | C14 | C18 | O22 | 138.2° | 180.0° |
| H15 | C15 | C19 | H19 | 0.4° | 0.0° |
| C16 | C20 | C17 | H20 | 180.0° | 179.9° |
| C16 | C20 | C17 | H17 | 179.9° | 179.8° |
| H16 | C16 | C20 | C17 | 179.8° | 180.0° |
| H16 | C16 | C20 | H20 | 0.2° | 0.1° |
| H17 | C17 | C20 | H20 | 0.1° | 0.1° |
| C18 | N21 | C23 | HN21 | 180.0° | 180.0° |
| C18 | N21 | C23 | C24 | 170.8° | 144.5° |
| C18 | N21 | C23 | C25 | 9.3° | 35.2° |
| O22 | C18 | N21 | C23 | 1.6° | 4.4° |
| O22 | C18 | N21 | HN21 | 178.4° | 175.5° |
| N21 | C23 | C24 | C25 | 179.9° | 179.7° |
| N21 | C23 | C24 | C26 | 179.9° | 180.0° |
| N21 | C23 | C24 | C27 | 0.2° | 0.0° |
| N21 | C23 | C25 | C28 | 180.0° | 180.0° |
| N21 | C23 | C25 | H25 | 0.0° | 0.0° |
| HN21 | N21 | C23 | C24 | 9.1° | 35.5° |
| HN21 | N21 | C23 | C25 | 170.7° | 144.7° |
| C23 | C24 | C26 | C27 | 180.0° | 180.0° |
| C24 | C23 | C25 | C28 | 0.2° | 0.3° |
| C24 | C23 | C25 | H25 | 179.8° | 179.7° |
| C23 | C24 | C26 | C29 | 0.1° | 0.1° |
| C23 | C24 | C26 | H26 | 179.9° | 180.0° |
| C23 | C24 | C27 | O31 | 156.6° | 5.4° |
| C23 | C24 | C27 | O30 | 23.7° | 174.6° |
| C25 | C23 | C24 | C26 | 0.0° | 0.2° |
| C25 | C23 | C24 | C27 | 180.0° | 179.7° |
| C23 | C25 | C28 | H25 | 180.0° | 179.9° |
| C23 | C25 | C28 | C29 | 0.2° | 0.1° |
| C23 | C25 | C28 | H28 | 179.8° | 180.0° |
| C24 | C26 | C29 | H26 | 180.0° | 179.9° |
| C26 | C24 | C27 | O31 | 23.4° | 174.6° |
| C26 | C24 | C27 | O30 | 156.3° | 5.4° |
| C24 | C26 | C29 | C28 | 0.1° | 0.3° |
| C24 | C26 | C29 | H29 | 179.9° | 180.0° |
| C27 | C24 | C26 | C29 | 179.8° | 180.0° |
| C27 | C24 | C26 | H26 | 0.2° | 0.1° |
| C24 | C27 | O31 | O30 | 179.7° | 180.0° |
| C24 | C27 | O30 | HO30 | 179.7° | 180.0° |
| C25 | C28 | C29 | C26 | 0.0° | 0.3° |
| C25 | C28 | C29 | H28 | 180.0° | 180.0° |
| C25 | C28 | C29 | H29 | 180.0° | 180.0° |
| H25 | C25 | C28 | C29 | 179.8° | 180.0° |
| H25 | C25 | C28 | H28 | 0.2° | 0.0° |
| C26 | C29 | C28 | H29 | 180.0° | 179.7° |
| C26 | C29 | C28 | H28 | 180.0° | 179.7° |
| H26 | C26 | C29 | C28 | 179.9° | 179.8° |
| H26 | C26 | C29 | H29 | 0.1° | 0.1° |
| O31 | C27 | O30 | HO30 | 0.0° | 0.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.0° |
