9Q5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C16 | sing | 1.43Å | 1.44Å | |
| C16 | C14 | sing | 1.53Å | 1.55Å | |
| O9 | C13 | doub | 1.22Å | 1.26Å | |
| C13 | O6 | sing | 1.34Å | 1.35Å | |
| C13 | C | sing | 1.41Å | 1.45Å | |
| O6 | C11 | sing | 1.35Å | 1.39Å | |
| C14 | O3 | sing | 1.43Å | 1.39Å | |
| C14 | C10 | sing | 1.53Å | 1.55Å | |
| O | C2 | sing | 1.43Å | 1.42Å | |
| O3 | C8 | sing | 1.43Å | 1.45Å | |
| C29 | C | sing | 1.51Å | 1.48Å | |
| C29 | O10 | sing | 1.43Å | 1.40Å | |
| C | C15 | doub | 1.36Å | 1.39Å | |
| C11 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.46Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | O10 | sing | 1.43Å | 1.38Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | C2 | sing | 1.53Å | 1.52Å | |
| C7 | S | sing | 1.81Å | 1.78Å | |
| C7 | O1 | sing | 1.43Å | 1.39Å | |
| C15 | C12 | sing | 1.47Å | 1.42Å | |
| C12 | C20 | doub | 1.40Å | 1.46Å | Aromatic |
| C10 | O7 | sing | 1.43Å | 1.45Å | |
| C10 | C3 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | S | sing | 1.81Å | 1.76Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | O1 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | O5 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.38Å | 1.50Å | Aromatic |
| C20 | F1 | sing | 1.35Å | 1.39Å | |
| C19 | F | sing | 1.35Å | 1.36Å | |
| O2 | C5 | sing | 1.43Å | 1.45Å | |
| C3 | C9 | sing | 1.53Å | 1.49Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C9 | O4 | sing | 1.43Å | 1.41Å | |
| N | N2 | sing | 1.29Å | 1.34Å | Aromatic |
| N | C21 | sing | 1.35Å | 1.38Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.42Å | Aromatic |
| N1 | C22 | sing | 1.34Å | 1.35Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.51Å | |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | F2 | sing | 1.35Å | 1.32Å | |
| C28 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| O8 | H25 | sing | 0.97Å | 0.95Å | |
| O | H26 | sing | 0.97Å | 0.95Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C16 | C14 | 107.9° | 109.5° |
| O8 | C16 | H23 | 109.9° | 109.5° |
| O8 | C16 | H24 | 109.9° | 109.5° |
| C16 | O8 | H25 | 109.5° | 114.0° |
| C16 | C14 | O3 | 106.1° | 109.5° |
| C16 | C14 | C10 | 113.7° | 109.5° |
| C16 | C14 | H16 | 107.8° | 109.5° |
| C14 | C16 | H23 | 109.8° | 109.5° |
| C14 | C16 | H24 | 109.9° | 109.4° |
| O9 | C13 | O6 | 122.7° | 119.1° |
| O9 | C13 | C | 119.9° | 119.1° |
| O6 | C13 | C | 116.2° | 121.7° |
| C13 | O6 | C11 | 123.7° | 121.5° |
| C13 | C | C29 | 113.2° | 120.2° |
| C13 | C | C15 | 124.1° | 119.8° |
| O6 | C11 | C17 | 119.4° | 120.7° |
| O6 | C11 | C12 | 119.0° | 119.8° |
| O3 | C14 | C10 | 111.5° | 109.4° |
| C14 | O3 | C8 | 107.2° | 114.1° |
| O3 | C14 | H16 | 109.9° | 109.4° |
| C14 | C10 | O7 | 105.0° | 109.5° |
| C14 | C10 | C3 | 113.7° | 109.2° |
| C14 | C10 | H15 | 108.7° | 109.6° |
| C10 | C14 | H16 | 107.8° | 109.5° |
| O | C2 | C1 | 109.0° | 109.5° |
| O | C2 | C7 | 111.1° | 109.6° |
| O | C2 | H8 | 109.4° | 109.5° |
| C2 | O | H26 | 109.5° | 114.0° |
| O3 | C8 | S | 107.3° | 109.5° |
| O3 | C8 | C9 | 115.7° | 109.5° |
| O3 | C8 | H5 | 108.1° | 109.4° |
| C | C29 | O10 | 105.3° | 109.5° |
| C29 | C | C15 | 122.7° | 120.1° |
| C | C29 | H27 | 110.5° | 109.5° |
| C | C29 | H28 | 110.5° | 109.4° |
| C29 | O10 | C1 | 116.1° | 114.0° |
| O10 | C29 | H27 | 110.5° | 109.5° |
| O10 | C29 | H28 | 110.5° | 109.5° |
| C | C15 | C12 | 117.4° | 118.2° |
| C | C15 | H29 | 121.3° | 120.9° |
| C17 | C11 | C12 | 121.6° | 119.4° |
| C11 | C17 | C18 | 120.2° | 120.1° |
| C11 | C17 | H3 | 119.9° | 119.9° |
| C11 | C12 | C15 | 119.2° | 119.0° |
| C11 | C12 | C20 | 118.8° | 120.0° |
| C17 | C18 | C19 | 121.7° | 120.6° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | H30 | 119.1° | 119.7° |
| O10 | C1 | C2 | 108.3° | 109.5° |
| O10 | C1 | C6 | 109.3° | 109.5° |
| O10 | C1 | H7 | 110.6° | 109.5° |
| C2 | C1 | C6 | 111.7° | 109.0° |
| C1 | C2 | C7 | 111.0° | 109.1° |
| C2 | C1 | H7 | 108.7° | 109.6° |
| C1 | C2 | H8 | 108.2° | 109.6° |
| C1 | C6 | C4 | 105.2° | 109.2° |
| C1 | C6 | O5 | 111.8° | 109.6° |
| C6 | C1 | H7 | 108.2° | 109.7° |
| C1 | C6 | H13 | 108.9° | 109.6° |
| C2 | C7 | S | 107.7° | 109.5° |
| C2 | C7 | O1 | 108.4° | 109.4° |
| C7 | C2 | H8 | 108.0° | 109.5° |
| C2 | C7 | H14 | 111.2° | 109.5° |
| S | C7 | O1 | 107.9° | 109.5° |
| C7 | S | C8 | 106.9° | 103.0° |
| S | C7 | H14 | 108.0° | 109.4° |
| C7 | O1 | C4 | 112.2° | 114.1° |
| O1 | C7 | H14 | 113.4° | 109.6° |
| C15 | C12 | C20 | 121.8° | 121.0° |
| C12 | C15 | H29 | 121.3° | 120.9° |
| C12 | C20 | C19 | 116.7° | 119.5° |
| C12 | C20 | F1 | 120.4° | 120.2° |
| O7 | C10 | C3 | 110.4° | 109.5° |
| O7 | C10 | H15 | 110.0° | 109.5° |
| C10 | O7 | H22 | 109.5° | 113.9° |
| C10 | C3 | C9 | 107.3° | 109.0° |
| C10 | C3 | N | 112.5° | 109.5° |
| C10 | C3 | H9 | 107.6° | 109.6° |
| C3 | C10 | H15 | 109.0° | 109.5° |
| C18 | C19 | C20 | 120.9° | 120.3° |
| C18 | C19 | F | 123.8° | 119.9° |
| C19 | C18 | H30 | 119.2° | 119.7° |
| S | C8 | C9 | 113.1° | 109.5° |
| S | C8 | H5 | 104.9° | 109.5° |
| C8 | C9 | C3 | 108.4° | 109.2° |
| C8 | C9 | O4 | 109.5° | 109.5° |
| C8 | C9 | H4 | 108.9° | 109.5° |
| C9 | C8 | H5 | 107.1° | 109.5° |
| C6 | C4 | O1 | 110.6° | 109.4° |
| C6 | C4 | C5 | 113.8° | 109.5° |
| C4 | C6 | O5 | 111.0° | 109.5° |
| C6 | C4 | H10 | 108.6° | 109.5° |
| C4 | C6 | H13 | 109.3° | 109.5° |
| O1 | C4 | C5 | 105.6° | 109.5° |
| O1 | C4 | H10 | 109.5° | 109.6° |
| C4 | C5 | O2 | 112.3° | 109.4° |
| C5 | C4 | H10 | 108.6° | 109.5° |
| C4 | C5 | H11 | 108.7° | 109.5° |
| C4 | C5 | H12 | 108.8° | 109.5° |
| C6 | O5 | H1 | 109.5° | 114.0° |
| O5 | C6 | H13 | 110.5° | 109.6° |
| C19 | C20 | F1 | 122.9° | 120.3° |
| C20 | C19 | F | 115.1° | 119.8° |
| C5 | O2 | H6 | 109.5° | 113.9° |
| O2 | C5 | H11 | 108.8° | 109.5° |
| O2 | C5 | H12 | 108.8° | 109.5° |
| C9 | C3 | N | 112.9° | 109.6° |
| C3 | C9 | O4 | 110.1° | 109.5° |
| C3 | C9 | H4 | 109.4° | 109.5° |
| C9 | C3 | H9 | 108.0° | 109.6° |
| C3 | N | N2 | 118.1° | 125.8° |
| C3 | N | C21 | 135.4° | 125.7° |
| N | C3 | H9 | 108.4° | 109.5° |
| C9 | O4 | H2 | 109.5° | 114.0° |
| O4 | C9 | H4 | 110.5° | 109.5° |
| N2 | N | C21 | 106.4° | 108.5° |
| N | N2 | N1 | 108.7° | 110.5° |
| N | C21 | C22 | 110.9° | 106.0° |
| N | C21 | H21 | 124.5° | 127.0° |
| N2 | N1 | C22 | 109.4° | 108.8° |
| C21 | C22 | N1 | 104.4° | 106.2° |
| C21 | C22 | C26 | 133.5° | 126.9° |
| C22 | C21 | H21 | 124.5° | 127.0° |
| N1 | C22 | C26 | 121.9° | 126.9° |
| C22 | C26 | C27 | 126.5° | 120.1° |
| C22 | C26 | C25 | 116.0° | 120.1° |
| C27 | C26 | C25 | 117.5° | 119.8° |
| C26 | C27 | C28 | 120.2° | 119.9° |
| C26 | C27 | H18 | 119.9° | 120.1° |
| C26 | C25 | C24 | 123.4° | 119.9° |
| C26 | C25 | H19 | 118.3° | 120.0° |
| C27 | C28 | F2 | 120.4° | 120.0° |
| C27 | C28 | C23 | 120.7° | 120.0° |
| C28 | C27 | H18 | 119.9° | 120.0° |
| C25 | C24 | C23 | 119.2° | 120.2° |
| C24 | C25 | H19 | 118.3° | 120.0° |
| C25 | C24 | H20 | 120.4° | 119.9° |
| F2 | C28 | C23 | 118.9° | 120.0° |
| C28 | C23 | C24 | 118.9° | 120.2° |
| C28 | C23 | H17 | 120.5° | 119.9° |
| C24 | C23 | H17 | 120.5° | 119.9° |
| C23 | C24 | H20 | 120.4° | 119.9° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.4° | 109.4° |
| H27 | C29 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C16 | C14 | H23 | 119.8° | 120.0° |
| O8 | C16 | C14 | H24 | 119.8° | 120.0° |
| O8 | C16 | C14 | O3 | 41.9° | 65.0° |
| O8 | C16 | C14 | C10 | 164.8° | 175.1° |
| O8 | C16 | C14 | H16 | 75.8° | 55.0° |
| O8 | C16 | H23 | H24 | 120.7° | 120.0° |
| C16 | C14 | O3 | C10 | 124.3° | 120.0° |
| C16 | C14 | O3 | H16 | 116.3° | 120.0° |
| C16 | C14 | C10 | H16 | 119.4° | 120.1° |
| C16 | C14 | O3 | C8 | 178.9° | 178.9° |
| C16 | C14 | C10 | O7 | 56.8° | 57.7° |
| C16 | C14 | C10 | C3 | 177.6° | 177.6° |
| C16 | C14 | C10 | H15 | 60.9° | 62.4° |
| C14 | C16 | H23 | H24 | 120.7° | 119.9° |
| C14 | C16 | O8 | H25 | 180.0° | 180.0° |
| O9 | C13 | O6 | C | 167.3° | 179.7° |
| O9 | C13 | O6 | C11 | 174.8° | 179.7° |
| O9 | C13 | C | C29 | 5.7° | 0.2° |
| O9 | C13 | C | C15 | 175.0° | 179.7° |
| O6 | C13 | C | C29 | 173.3° | 179.9° |
| O6 | C13 | C | C15 | 7.3° | 0.0° |
| C13 | O6 | C11 | C17 | 174.8° | 179.9° |
| C13 | O6 | C11 | C12 | 3.6° | 0.0° |
| C | C13 | O6 | C11 | 7.5° | 0.0° |
| C13 | C | C29 | C15 | 179.4° | 179.9° |
| C13 | C | C29 | O10 | 177.0° | 180.0° |
| C13 | C | C15 | C12 | 2.8° | 0.0° |
| C13 | C | C29 | H27 | 57.7° | 60.0° |
| C13 | C | C29 | H28 | 63.7° | 60.0° |
| C13 | C | C15 | H29 | 177.2° | 180.0° |
| O6 | C11 | C17 | C12 | 178.3° | 179.9° |
| O6 | C11 | C17 | C18 | 178.2° | 180.0° |
| O6 | C11 | C12 | C15 | 1.3° | 0.0° |
| O6 | C11 | C12 | C20 | 176.7° | 179.9° |
| O6 | C11 | C17 | H3 | 1.8° | 0.1° |
| O3 | C14 | C10 | H16 | 120.7° | 120.0° |
| O3 | C14 | C10 | O7 | 63.1° | 62.3° |
| O3 | C14 | C10 | C3 | 57.7° | 57.6° |
| C14 | O3 | C8 | S | 171.2° | 178.8° |
| C14 | O3 | C8 | C9 | 61.5° | 61.1° |
| C14 | O3 | C8 | H5 | 58.6° | 58.9° |
| O3 | C14 | C10 | H15 | 179.2° | 177.6° |
| O3 | C14 | C16 | H23 | 77.9° | 175.0° |
| O3 | C14 | C16 | H24 | 161.7° | 55.0° |
| C10 | C14 | O3 | C8 | 56.8° | 61.1° |
| C14 | C10 | O7 | C3 | 122.9° | 119.7° |
| C14 | C10 | O7 | H15 | 116.8° | 120.2° |
| C14 | C10 | C3 | H15 | 121.4° | 120.1° |
| C14 | C10 | C3 | C9 | 53.7° | 56.9° |
| C14 | C10 | C3 | N | 178.5° | 176.9° |
| C14 | C10 | C3 | H9 | 62.3° | 63.0° |
| C14 | C10 | O7 | H22 | 180.0° | 60.4° |
| C10 | C14 | C16 | H23 | 45.0° | 55.1° |
| C10 | C14 | C16 | H24 | 75.4° | 64.9° |
| O | C2 | C1 | O10 | 63.1° | 63.2° |
| O | C2 | C1 | C7 | 122.8° | 120.0° |
| O | C2 | C1 | H8 | 118.9° | 120.1° |
| O | C2 | C1 | C6 | 176.5° | 177.0° |
| O | C2 | C7 | H8 | 120.0° | 120.1° |
| O | C2 | C7 | S | 65.9° | 62.5° |
| O | C2 | C7 | O1 | 177.6° | 177.5° |
| O | C2 | C1 | H7 | 57.1° | 56.9° |
| O | C2 | C7 | H14 | 52.3° | 57.5° |
| O3 | C8 | S | C7 | 102.7° | 65.0° |
| O3 | C8 | S | C9 | 128.8° | 120.0° |
| O3 | C8 | S | H5 | 114.8° | 119.9° |
| O3 | C8 | C9 | H5 | 120.6° | 119.9° |
| O3 | C8 | C9 | C3 | 60.3° | 57.5° |
| O3 | C8 | C9 | O4 | 179.5° | 177.5° |
| O3 | C8 | C9 | H4 | 58.6° | 62.4° |
| C8 | O3 | C14 | H16 | 62.6° | 58.9° |
| C | C29 | O10 | H27 | 119.3° | 120.0° |
| C | C29 | O10 | H28 | 119.3° | 120.0° |
| C | C29 | O10 | C1 | 166.3° | 180.0° |
| C29 | C | C15 | C12 | 177.9° | 179.9° |
| C | C29 | H27 | H28 | 121.9° | 119.9° |
| C29 | C | C15 | H29 | 2.1° | 0.0° |
| O10 | C29 | C | C15 | 2.4° | 0.1° |
| C29 | O10 | C1 | C2 | 160.6° | 90.0° |
| C29 | O10 | C1 | C6 | 77.5° | 150.4° |
| C29 | O10 | C1 | H7 | 41.6° | 30.2° |
| O10 | C29 | H27 | H28 | 121.9° | 120.0° |
| C | C15 | C12 | C11 | 1.5° | 0.0° |
| C | C15 | C12 | H29 | 180.0° | 180.0° |
| C | C15 | C12 | C20 | 176.7° | 179.9° |
| C15 | C | C29 | H27 | 121.7° | 120.0° |
| C15 | C | C29 | H28 | 117.0° | 120.1° |
| C11 | C17 | C18 | H3 | 180.0° | 179.9° |
| C17 | C11 | C12 | C15 | 179.7° | 179.9° |
| C17 | C11 | C12 | C20 | 5.0° | 0.0° |
| C11 | C17 | C18 | C19 | 0.3° | 0.1° |
| C11 | C17 | C18 | H30 | 179.7° | 179.9° |
| C12 | C11 | C17 | C18 | 3.5° | 0.0° |
| C11 | C12 | C15 | C20 | 175.2° | 179.9° |
| C11 | C12 | C20 | C19 | 2.7° | 0.0° |
| C11 | C12 | C20 | F1 | 176.5° | 180.0° |
| C12 | C11 | C17 | H3 | 176.5° | 180.0° |
| C11 | C12 | C15 | H29 | 178.4° | 180.0° |
| C17 | C18 | C19 | H30 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 2.5° | 0.1° |
| C17 | C18 | C19 | F | 177.4° | 180.0° |
| O10 | C1 | C2 | C6 | 120.4° | 119.9° |
| O10 | C1 | C2 | H7 | 120.2° | 120.1° |
| O10 | C1 | C6 | H7 | 120.5° | 120.2° |
| O10 | C1 | C2 | C7 | 174.1° | 176.9° |
| O10 | C1 | C6 | C4 | 173.6° | 176.9° |
| O10 | C1 | C6 | O5 | 53.0° | 57.0° |
| O10 | C1 | C2 | H8 | 55.8° | 57.0° |
| O10 | C1 | C6 | H13 | 69.4° | 63.2° |
| C1 | O10 | C29 | H27 | 47.0° | 60.0° |
| C1 | O10 | C29 | H28 | 74.3° | 60.0° |
| C2 | C1 | C6 | H7 | 119.7° | 120.0° |
| C1 | C2 | C7 | H8 | 118.5° | 120.0° |
| C1 | C2 | C7 | S | 172.6° | 177.6° |
| C1 | C2 | C7 | O1 | 56.1° | 57.6° |
| C2 | C1 | C6 | C4 | 53.7° | 57.0° |
| C2 | C1 | C6 | O5 | 66.9° | 62.9° |
| C2 | C1 | C6 | H13 | 170.8° | 176.9° |
| C1 | C2 | C7 | H14 | 69.2° | 62.5° |
| C1 | C2 | O | H26 | 180.0° | 179.9° |
| C6 | C1 | C2 | C7 | 53.7° | 57.0° |
| C1 | C6 | C4 | O5 | 121.1° | 119.9° |
| C1 | C6 | C4 | H13 | 116.8° | 119.9° |
| C1 | C6 | C4 | O1 | 58.9° | 57.7° |
| C1 | C6 | C4 | C5 | 177.6° | 177.6° |
| C1 | C6 | O5 | H13 | 121.5° | 120.2° |
| C1 | C6 | O5 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H8 | 64.6° | 62.9° |
| C1 | C6 | C4 | H10 | 61.3° | 62.4° |
| C2 | C7 | S | O1 | 116.8° | 119.9° |
| C2 | C7 | S | H14 | 120.2° | 120.0° |
| C2 | C7 | O1 | H14 | 124.0° | 120.0° |
| C2 | C7 | S | C8 | 178.4° | 175.0° |
| C2 | C7 | O1 | C4 | 63.0° | 61.2° |
| C7 | C2 | C1 | H7 | 65.7° | 63.0° |
| C7 | C2 | O | H26 | 57.3° | 60.3° |
| S | C7 | O1 | H14 | 119.6° | 120.0° |
| C7 | S | C8 | C9 | 128.5° | 174.9° |
| S | C7 | O1 | C4 | 179.4° | 178.8° |
| C7 | S | C8 | H5 | 12.1° | 54.9° |
| S | C7 | C2 | H8 | 54.1° | 57.7° |
| O1 | C7 | S | C8 | 64.7° | 65.1° |
| C7 | O1 | C4 | C6 | 67.8° | 61.2° |
| C7 | O1 | C4 | C5 | 168.7° | 178.9° |
| O1 | C7 | C2 | H8 | 62.4° | 62.3° |
| C7 | O1 | C4 | H10 | 51.8° | 58.8° |
| C15 | C12 | C20 | C19 | 177.9° | 179.9° |
| C15 | C12 | C20 | F1 | 1.3° | 0.1° |
| C12 | C20 | C19 | C18 | 0.9° | 0.1° |
| C12 | C20 | C19 | F1 | 179.2° | 180.0° |
| C12 | C20 | C19 | F | 176.2° | 180.0° |
| C20 | C12 | C15 | H29 | 3.3° | 0.1° |
| O7 | C10 | C3 | H15 | 121.0° | 120.1° |
| O7 | C10 | C3 | C9 | 64.0° | 62.9° |
| O7 | C10 | C3 | N | 60.8° | 57.0° |
| O7 | C10 | C3 | H9 | 179.9° | 177.1° |
| O7 | C10 | C14 | H16 | 176.2° | 177.8° |
| C10 | C3 | C9 | C8 | 52.4° | 56.9° |
| C10 | C3 | C9 | N | 124.5° | 119.9° |
| C10 | C3 | C9 | H9 | 115.7° | 120.0° |
| C10 | C3 | N | H9 | 118.8° | 120.2° |
| C10 | C3 | C9 | O4 | 172.2° | 176.9° |
| C10 | C3 | N | N2 | 76.7° | 95.4° |
| C10 | C3 | N | C21 | 106.4° | 84.6° |
| C10 | C3 | C9 | H4 | 66.2° | 63.0° |
| C3 | C10 | C14 | H16 | 63.0° | 62.3° |
| C3 | C10 | O7 | H22 | 57.1° | 180.0° |
| C18 | C19 | C20 | F | 175.3° | 179.9° |
| C18 | C19 | C20 | F1 | 179.9° | 179.9° |
| C19 | C18 | C17 | H3 | 179.7° | 180.0° |
| S | C8 | C9 | H5 | 115.0° | 120.0° |
| S | C8 | C9 | C3 | 175.3° | 177.6° |
| S | C8 | C9 | O4 | 55.2° | 62.5° |
| S | C8 | C9 | H4 | 65.8° | 57.6° |
| C8 | S | C7 | H14 | 58.2° | 55.0° |
| C8 | C9 | C3 | O4 | 119.8° | 119.9° |
| C8 | C9 | C3 | H4 | 118.6° | 119.9° |
| C8 | C9 | C3 | N | 176.9° | 176.8° |
| C8 | C9 | O4 | H4 | 119.9° | 120.1° |
| C8 | C9 | O4 | H2 | 180.0° | 60.1° |
| C8 | C9 | C3 | H9 | 63.3° | 63.0° |
| C6 | C4 | O1 | C5 | 123.6° | 120.0° |
| C6 | C4 | O1 | H10 | 119.6° | 120.0° |
| C6 | C4 | C5 | H10 | 121.1° | 120.0° |
| C4 | C6 | O5 | H13 | 121.4° | 120.1° |
| C6 | C4 | C5 | O2 | 175.6° | 175.0° |
| C4 | C6 | O5 | H1 | 62.9° | 60.3° |
| C4 | C6 | C1 | H7 | 66.0° | 63.0° |
| C6 | C4 | C5 | H11 | 64.0° | 65.0° |
| C6 | C4 | C5 | H12 | 55.1° | 55.0° |
| O1 | C4 | C5 | H10 | 117.4° | 120.1° |
| O1 | C4 | C6 | O5 | 62.2° | 62.3° |
| O1 | C4 | C5 | O2 | 54.0° | 65.1° |
| O1 | C4 | C5 | H11 | 174.4° | 54.9° |
| O1 | C4 | C5 | H12 | 66.4° | 174.9° |
| O1 | C4 | C6 | H13 | 175.7° | 177.6° |
| C4 | O1 | C7 | H14 | 61.0° | 58.8° |
| C5 | C4 | C6 | O5 | 56.5° | 57.7° |
| C4 | C5 | O2 | H11 | 120.4° | 120.0° |
| C4 | C5 | O2 | H12 | 120.4° | 120.0° |
| C4 | C5 | O2 | H6 | 180.0° | 180.0° |
| C4 | C5 | H11 | H12 | 118.7° | 120.0° |
| C5 | C4 | C6 | H13 | 65.6° | 62.5° |
| O5 | C6 | C1 | H7 | 173.4° | 177.1° |
| O5 | C6 | C4 | H10 | 177.6° | 177.7° |
| C20 | C19 | C18 | H30 | 177.5° | 179.9° |
| F1 | C20 | C19 | F | 4.6° | 0.0° |
| F | C19 | C18 | H30 | 2.6° | 0.0° |
| O2 | C5 | C4 | H10 | 63.4° | 55.0° |
| O2 | C5 | H11 | H12 | 118.7° | 120.1° |
| C9 | C3 | N | H9 | 119.5° | 120.2° |
| C3 | C9 | O4 | H4 | 121.0° | 120.1° |
| C9 | C3 | N | N2 | 44.9° | 145.0° |
| C9 | C3 | N | C21 | 132.0° | 34.9° |
| C3 | C9 | O4 | H2 | 60.9° | 179.9° |
| C3 | C9 | C8 | H5 | 60.3° | 62.4° |
| C9 | C3 | C10 | H15 | 175.1° | 177.0° |
| N | C3 | C9 | O4 | 63.3° | 63.3° |
| C3 | N | N2 | C21 | 177.7° | 179.9° |
| C3 | N | N2 | N1 | 178.2° | 180.0° |
| C3 | N | C21 | C22 | 178.0° | 180.0° |
| N | C3 | C9 | H4 | 58.3° | 56.8° |
| N | C3 | C10 | H15 | 60.2° | 63.1° |
| C3 | N | C21 | H21 | 2.0° | 0.1° |
| O4 | C9 | C8 | H5 | 59.9° | 57.5° |
| O4 | C9 | C3 | H9 | 56.4° | 56.9° |
| N2 | N | C21 | C22 | 4.8° | 0.1° |
| N | N2 | N1 | C22 | 2.0° | 0.0° |
| N2 | N | C3 | H9 | 164.5° | 24.8° |
| N2 | N | C21 | H21 | 175.2° | 179.9° |
| C21 | N | N2 | N1 | 4.1° | 0.1° |
| N | C21 | C22 | H21 | 180.0° | 179.9° |
| N | C21 | C22 | N1 | 3.5° | 0.0° |
| N | C21 | C22 | C26 | 178.4° | 180.0° |
| C21 | N | C3 | H9 | 12.4° | 155.2° |
| N2 | N1 | C22 | C21 | 0.9° | 0.0° |
| N2 | N1 | C22 | C26 | 176.5° | 179.9° |
| C21 | C22 | N1 | C26 | 175.6° | 179.9° |
| C21 | C22 | C26 | C27 | 5.3° | 180.0° |
| C21 | C22 | C26 | C25 | 175.1° | 0.0° |
| N1 | C22 | C26 | C27 | 168.9° | 0.0° |
| N1 | C22 | C26 | C25 | 10.8° | 179.9° |
| N1 | C22 | C21 | H21 | 176.5° | 179.9° |
| C22 | C26 | C27 | C25 | 179.7° | 180.0° |
| C22 | C26 | C27 | C28 | 178.7° | 180.0° |
| C22 | C26 | C25 | C24 | 179.6° | 179.7° |
| C22 | C26 | C27 | H18 | 1.3° | 0.0° |
| C22 | C26 | C25 | H19 | 0.4° | 0.0° |
| C26 | C22 | C21 | H21 | 1.6° | 0.1° |
| C26 | C27 | C28 | H18 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.7° | 0.2° |
| C26 | C27 | C28 | F2 | 177.7° | 179.9° |
| C26 | C27 | C28 | C23 | 1.9° | 0.3° |
| C27 | C26 | C25 | H19 | 179.3° | 180.0° |
| C25 | C26 | C27 | C28 | 1.0° | 0.1° |
| C26 | C25 | C24 | H19 | 180.0° | 179.8° |
| C26 | C25 | C24 | C23 | 1.5° | 0.2° |
| C25 | C26 | C27 | H18 | 179.0° | 180.0° |
| C26 | C25 | C24 | H20 | 178.5° | 180.0° |
| C27 | C28 | F2 | C23 | 179.7° | 179.6° |
| C27 | C28 | C23 | C24 | 1.1° | 0.3° |
| C27 | C28 | C23 | H17 | 178.9° | 179.7° |
| C25 | C24 | C23 | C28 | 0.5° | 0.0° |
| C25 | C24 | C23 | H20 | 180.0° | 179.7° |
| C25 | C24 | C23 | H17 | 179.5° | 180.0° |
| F2 | C28 | C23 | C24 | 178.5° | 179.9° |
| F2 | C28 | C23 | H17 | 1.5° | 0.1° |
| F2 | C28 | C27 | H18 | 2.3° | 0.1° |
| C28 | C23 | C24 | H17 | 180.0° | 179.9° |
| C23 | C28 | C27 | H18 | 178.1° | 179.7° |
| C28 | C23 | C24 | H20 | 179.5° | 179.7° |
| C23 | C24 | C25 | H19 | 178.5° | 180.0° |
| H1 | O5 | C6 | H13 | 58.5° | 59.8° |
| H2 | O4 | C9 | H4 | 60.1° | 60.0° |
| H3 | C17 | C18 | H30 | 0.3° | 0.0° |
| H4 | C9 | C8 | H5 | 179.2° | 177.6° |
| H4 | C9 | C3 | H9 | 178.1° | 177.0° |
| H6 | O2 | C5 | H11 | 59.6° | 60.0° |
| H6 | O2 | C5 | H12 | 59.5° | 60.0° |
| H7 | C1 | C2 | H8 | 176.0° | 177.1° |
| H7 | C1 | C6 | H13 | 51.1° | 56.9° |
| H8 | C2 | C7 | H14 | 172.3° | 177.6° |
| H8 | C2 | O | H26 | 61.9° | 59.9° |
| H9 | C3 | C10 | H15 | 59.1° | 57.1° |
| H10 | C4 | C5 | H11 | 57.0° | 175.0° |
| H10 | C4 | C5 | H12 | 176.2° | 65.0° |
| H10 | C4 | C6 | H13 | 55.5° | 57.5° |
| H15 | C10 | C14 | H16 | 58.6° | 57.6° |
| H15 | C10 | O7 | H22 | 63.3° | 59.9° |
| H16 | C14 | C16 | H23 | 164.5° | 65.0° |
| H16 | C14 | C16 | H24 | 44.0° | 175.0° |
| H17 | C23 | C24 | H20 | 0.5° | 0.3° |
| H19 | C25 | C24 | H20 | 1.5° | 0.3° |
| H23 | C16 | O8 | H25 | 60.2° | 60.0° |
| H24 | C16 | O8 | H25 | 60.2° | 60.0° |
