A6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| O10 | S2 | doub | 1.42Å | 1.47Å | |
| F5 | C23 | sing | 1.35Å | 1.36Å | |
| O14 | C21 | doub | 1.22Å | 1.23Å | |
| C11 | O5 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| O7 | S2 | sing | 1.52Å | 1.66Å | |
| O7 | C16 | sing | 1.43Å | 1.43Å | |
| O5 | C14 | sing | 1.43Å | 1.44Å | |
| S2 | O8 | doub | 1.42Å | 1.47Å | |
| S2 | O9 | sing | 1.52Å | 1.48Å | |
| F6 | C24 | sing | 1.35Å | 1.34Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | N2 | sing | 1.35Å | 1.33Å | |
| C21 | C22 | sing | 1.47Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | S1 | sing | 1.81Å | 1.80Å | |
| C15 | O11 | sing | 1.43Å | 1.42Å | |
| C10 | O3 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C20 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | N2 | sing | 1.46Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | S1 | sing | 1.81Å | 1.80Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | O11 | sing | 1.43Å | 1.42Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | O13 | sing | 1.43Å | 1.42Å | |
| O12 | C18 | sing | 1.43Å | 1.41Å | |
| C9 | C13 | sing | 1.53Å | 1.53Å | |
| C9 | N1 | sing | 1.46Å | 1.46Å | |
| C13 | O6 | sing | 1.43Å | 1.40Å | |
| C27 | O15 | sing | 1.36Å | 1.38Å | |
| C27 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | F7 | sing | 1.35Å | 1.35Å | |
| O15 | C28 | sing | 1.43Å | 1.42Å | |
| N1 | C8 | sing | 1.35Å | 1.36Å | |
| O2 | C8 | doub | 1.22Å | 1.24Å | |
| C26 | F8 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | sing | 1.47Å | 1.51Å | |
| F4 | C6 | sing | 1.35Å | 1.35Å | |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| F2 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | F3 | sing | 1.35Å | 1.36Å | |
| C5 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.35Å | |
| C3 | O1 | sing | 1.36Å | 1.38Å | |
| O1 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| O12 | H20 | sing | 0.97Å | 0.95Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| O13 | H22 | sing | 0.97Å | 0.95Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| O9 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C12 | C11 | 110.3° | 109.4° |
| O4 | C12 | H9 | 109.2° | 109.5° |
| O4 | C12 | H10 | 109.3° | 109.5° |
| C12 | O4 | H11 | 109.5° | 114.0° |
| C12 | C11 | O5 | 109.1° | 109.5° |
| C12 | C11 | C10 | 111.7° | 109.5° |
| C12 | C11 | H8 | 109.3° | 109.5° |
| C11 | C12 | H9 | 109.3° | 109.4° |
| C11 | C12 | H10 | 109.3° | 109.4° |
| O10 | S2 | O7 | 101.1° | 106.4° |
| O10 | S2 | O8 | 116.5° | 123.2° |
| O10 | S2 | O9 | 112.2° | 106.4° |
| F5 | C23 | C24 | 120.1° | 120.0° |
| F5 | C23 | C22 | 118.7° | 120.1° |
| O14 | C21 | N2 | 121.3° | 120.0° |
| O14 | C21 | C22 | 124.6° | 120.0° |
| O5 | C11 | C10 | 106.5° | 109.4° |
| C11 | O5 | C14 | 114.9° | 114.1° |
| O5 | C11 | H8 | 111.0° | 109.5° |
| C11 | C10 | O3 | 110.2° | 109.5° |
| C11 | C10 | C9 | 107.0° | 109.2° |
| C11 | C10 | H6 | 108.9° | 109.6° |
| C10 | C11 | H8 | 109.2° | 109.4° |
| S2 | O7 | C16 | 115.7° | 114.0° |
| O7 | S2 | O8 | 104.5° | 106.4° |
| O7 | S2 | O9 | 104.9° | 107.2° |
| O7 | C16 | C15 | 107.1° | 109.5° |
| O7 | C16 | C20 | 108.8° | 109.6° |
| O7 | C16 | H16 | 110.6° | 109.5° |
| O5 | C14 | S1 | 106.9° | 109.4° |
| O5 | C14 | C13 | 110.7° | 109.4° |
| O5 | C14 | H14 | 112.0° | 109.5° |
| O8 | S2 | O9 | 115.4° | 106.4° |
| S2 | O9 | H28 | 109.5° | 114.0° |
| F6 | C24 | C23 | 118.9° | 120.0° |
| F6 | C24 | C27 | 120.0° | 119.9° |
| C24 | C23 | C22 | 121.1° | 119.9° |
| C23 | C24 | C27 | 121.1° | 120.1° |
| C23 | C22 | C21 | 120.1° | 120.1° |
| C23 | C22 | C25 | 118.2° | 119.7° |
| N2 | C21 | C22 | 112.8° | 120.1° |
| C21 | N2 | C20 | 124.6° | 120.0° |
| C21 | N2 | H24 | 117.7° | 120.0° |
| C21 | C22 | C25 | 121.7° | 120.2° |
| C16 | C15 | S1 | 105.8° | 109.5° |
| C16 | C15 | O11 | 112.0° | 109.4° |
| C15 | C16 | C20 | 112.0° | 109.2° |
| C16 | C15 | H15 | 109.7° | 109.5° |
| C15 | C16 | H16 | 109.1° | 109.5° |
| S1 | C15 | O11 | 111.1° | 109.5° |
| C15 | S1 | C14 | 98.9° | 103.0° |
| S1 | C15 | H15 | 106.7° | 109.5° |
| C15 | O11 | C17 | 114.0° | 114.1° |
| O11 | C15 | H15 | 111.3° | 109.4° |
| O3 | C10 | C9 | 110.9° | 109.5° |
| O3 | C10 | H6 | 110.7° | 109.5° |
| C10 | O3 | H7 | 109.5° | 114.0° |
| C10 | C9 | C13 | 111.4° | 109.0° |
| C10 | C9 | N1 | 109.2° | 109.5° |
| C10 | C9 | H5 | 108.8° | 109.6° |
| C9 | C10 | H6 | 109.0° | 109.5° |
| C16 | C20 | N2 | 106.5° | 109.6° |
| C16 | C20 | C19 | 113.5° | 109.0° |
| C20 | C16 | H16 | 109.2° | 109.5° |
| C16 | C20 | H23 | 108.0° | 109.5° |
| N2 | C20 | C19 | 112.1° | 109.5° |
| N2 | C20 | H23 | 108.8° | 109.6° |
| C20 | N2 | H24 | 117.7° | 120.0° |
| C20 | C19 | C17 | 111.2° | 109.2° |
| C20 | C19 | O13 | 110.8° | 109.5° |
| C20 | C19 | H21 | 107.9° | 109.6° |
| C19 | C20 | H23 | 107.8° | 109.6° |
| S1 | C14 | C13 | 108.9° | 109.4° |
| S1 | C14 | H14 | 107.5° | 109.5° |
| C14 | C13 | C9 | 110.4° | 109.2° |
| C14 | C13 | O6 | 110.1° | 109.5° |
| C14 | C13 | H12 | 107.8° | 109.6° |
| C13 | C14 | H14 | 110.7° | 109.5° |
| O11 | C17 | C19 | 106.0° | 109.4° |
| O11 | C17 | C18 | 109.9° | 109.5° |
| O11 | C17 | H17 | 110.3° | 109.5° |
| C19 | C17 | C18 | 113.2° | 109.4° |
| C17 | C19 | O13 | 109.7° | 109.5° |
| C19 | C17 | H17 | 108.6° | 109.5° |
| C17 | C19 | H21 | 107.8° | 109.5° |
| C17 | C18 | O12 | 111.5° | 109.4° |
| C18 | C17 | H17 | 108.8° | 109.6° |
| C17 | C18 | H18 | 108.9° | 109.5° |
| C17 | C18 | H19 | 109.0° | 109.5° |
| C24 | C27 | O15 | 116.8° | 119.8° |
| C24 | C27 | C26 | 117.8° | 120.3° |
| C22 | C25 | C26 | 120.6° | 119.9° |
| C22 | C25 | F7 | 121.2° | 120.0° |
| O13 | C19 | H21 | 109.4° | 109.6° |
| C19 | O13 | H22 | 109.5° | 114.0° |
| O12 | C18 | H18 | 109.0° | 109.5° |
| O12 | C18 | H19 | 108.9° | 109.5° |
| C18 | O12 | H20 | 109.5° | 114.0° |
| C13 | C9 | N1 | 108.4° | 109.6° |
| C9 | C13 | O6 | 111.0° | 109.5° |
| C13 | C9 | H5 | 109.0° | 109.5° |
| C9 | C13 | H12 | 107.9° | 109.5° |
| C9 | N1 | C8 | 120.9° | 120.0° |
| C9 | N1 | H4 | 119.5° | 120.0° |
| N1 | C9 | H5 | 110.0° | 109.6° |
| O6 | C13 | H12 | 109.6° | 109.5° |
| C13 | O6 | H13 | 109.5° | 114.0° |
| O15 | C27 | C26 | 125.4° | 119.9° |
| C27 | O15 | C28 | 115.4° | 117.0° |
| C27 | C26 | C25 | 121.2° | 120.1° |
| C27 | C26 | F8 | 121.8° | 119.9° |
| C26 | C25 | F7 | 118.1° | 120.1° |
| C25 | C26 | F8 | 117.0° | 119.9° |
| O15 | C28 | H25 | 109.5° | 109.5° |
| O15 | C28 | H26 | 109.5° | 109.5° |
| O15 | C28 | H27 | 109.5° | 109.5° |
| N1 | C8 | O2 | 116.7° | 119.9° |
| N1 | C8 | C7 | 110.6° | 120.0° |
| C8 | N1 | H4 | 119.5° | 120.0° |
| O2 | C8 | C7 | 118.3° | 120.0° |
| C8 | C7 | C6 | 121.7° | 120.1° |
| C8 | C7 | C2 | 117.6° | 120.1° |
| F4 | C6 | C7 | 122.7° | 120.1° |
| F4 | C6 | C5 | 116.9° | 120.1° |
| C6 | C7 | C2 | 120.0° | 119.8° |
| C7 | C6 | C5 | 120.3° | 119.8° |
| C7 | C2 | F2 | 119.4° | 120.1° |
| C7 | C2 | C1 | 118.9° | 119.9° |
| C6 | C5 | F3 | 117.9° | 119.9° |
| C6 | C5 | C3 | 120.8° | 120.1° |
| F2 | C2 | C1 | 121.7° | 120.0° |
| C2 | C1 | C3 | 121.6° | 120.2° |
| C2 | C1 | F1 | 116.9° | 119.9° |
| F3 | C5 | C3 | 121.3° | 120.0° |
| C5 | C3 | C1 | 118.1° | 120.2° |
| C5 | C3 | O1 | 114.7° | 119.9° |
| C3 | C1 | F1 | 121.4° | 119.9° |
| C1 | C3 | O1 | 127.1° | 119.9° |
| C3 | O1 | C4 | 121.7° | 117.0° |
| O1 | C4 | H1 | 109.5° | 109.4° |
| O1 | C4 | H2 | 109.4° | 109.5° |
| O1 | C4 | H3 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.4° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H25 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C12 | C11 | H9 | 120.1° | 120.0° |
| O4 | C12 | C11 | H10 | 120.1° | 120.0° |
| O4 | C12 | C11 | O5 | 41.9° | 65.0° |
| O4 | C12 | C11 | C10 | 159.4° | 175.0° |
| O4 | C12 | C11 | H8 | 79.8° | 55.0° |
| O4 | C12 | H9 | H10 | 119.6° | 120.1° |
| C12 | C11 | O5 | C10 | 120.7° | 120.0° |
| C12 | C11 | O5 | H8 | 120.5° | 120.1° |
| C12 | C11 | C10 | H8 | 120.9° | 120.0° |
| C12 | C11 | O5 | C14 | 173.1° | 178.9° |
| C12 | C11 | C10 | O3 | 60.7° | 57.7° |
| C12 | C11 | C10 | C9 | 178.6° | 177.6° |
| C12 | C11 | C10 | H6 | 60.9° | 62.4° |
| C11 | C12 | H9 | H10 | 119.6° | 119.9° |
| C11 | C12 | O4 | H11 | 180.0° | 179.9° |
| O10 | S2 | O7 | O8 | 121.3° | 132.9° |
| O10 | S2 | O7 | O9 | 116.8° | 113.5° |
| O10 | S2 | O7 | C16 | 155.5° | 172.1° |
| O10 | S2 | O8 | O9 | 134.8° | 123.0° |
| O10 | S2 | O9 | H28 | 0.0° | 66.5° |
| F5 | C23 | C24 | F6 | 1.4° | 0.1° |
| F5 | C23 | C24 | C22 | 178.8° | 179.9° |
| F5 | C23 | C22 | C21 | 3.2° | 0.1° |
| F5 | C23 | C24 | C27 | 179.9° | 179.9° |
| F5 | C23 | C22 | C25 | 177.4° | 179.7° |
| O14 | C21 | C22 | C23 | 38.1° | 89.8° |
| O14 | C21 | N2 | C22 | 167.3° | 180.0° |
| O14 | C21 | N2 | C20 | 9.3° | 0.0° |
| O14 | C21 | C22 | C25 | 141.2° | 90.0° |
| O14 | C21 | N2 | H24 | 170.7° | 180.0° |
| O5 | C11 | C10 | H8 | 120.0° | 120.0° |
| O5 | C11 | C10 | O3 | 58.3° | 62.3° |
| O5 | C11 | C10 | C9 | 62.3° | 57.6° |
| C11 | O5 | C14 | S1 | 178.5° | 178.9° |
| C11 | O5 | C14 | C13 | 60.0° | 61.2° |
| O5 | C11 | C10 | H6 | 180.0° | 177.6° |
| O5 | C11 | C12 | H9 | 78.2° | 175.0° |
| O5 | C11 | C12 | H10 | 162.0° | 55.0° |
| C11 | O5 | C14 | H14 | 64.1° | 58.9° |
| C10 | C11 | O5 | C14 | 66.2° | 61.1° |
| C11 | C10 | O3 | C9 | 118.3° | 119.7° |
| C11 | C10 | O3 | H6 | 120.6° | 120.2° |
| C11 | C10 | C9 | H6 | 117.7° | 120.1° |
| C11 | C10 | C9 | C13 | 57.7° | 56.9° |
| C11 | C10 | C9 | N1 | 177.4° | 176.8° |
| C11 | C10 | C9 | H5 | 62.5° | 62.9° |
| C11 | C10 | O3 | H7 | 180.0° | 60.3° |
| C10 | C11 | C12 | H9 | 39.3° | 55.0° |
| C10 | C11 | C12 | H10 | 80.5° | 65.0° |
| O7 | S2 | O8 | O9 | 114.7° | 114.1° |
| S2 | O7 | C16 | C15 | 124.4° | 118.2° |
| S2 | O7 | C16 | C20 | 114.3° | 122.0° |
| S2 | O7 | C16 | H16 | 5.7° | 1.9° |
| O7 | S2 | O9 | H28 | 108.9° | 180.0° |
| C16 | O7 | S2 | O8 | 83.2° | 39.1° |
| C16 | O7 | S2 | O9 | 38.7° | 74.4° |
| O7 | C16 | C15 | C20 | 119.3° | 120.0° |
| O7 | C16 | C15 | H16 | 119.7° | 120.1° |
| O7 | C16 | C15 | S1 | 73.8° | 62.4° |
| O7 | C16 | C15 | O11 | 165.1° | 177.6° |
| O7 | C16 | C20 | H16 | 120.8° | 120.1° |
| O7 | C16 | C20 | N2 | 77.6° | 63.2° |
| O7 | C16 | C20 | C19 | 158.7° | 176.9° |
| O7 | C16 | C15 | H15 | 40.9° | 57.6° |
| O7 | C16 | C20 | H23 | 39.1° | 57.1° |
| O5 | C14 | S1 | C15 | 110.6° | 65.0° |
| O5 | C14 | S1 | C13 | 119.6° | 119.9° |
| O5 | C14 | S1 | H14 | 120.4° | 120.1° |
| O5 | C14 | C13 | H14 | 124.8° | 120.1° |
| O5 | C14 | C13 | C9 | 49.6° | 57.7° |
| O5 | C14 | C13 | O6 | 172.5° | 177.5° |
| C14 | O5 | C11 | H8 | 52.5° | 58.8° |
| O5 | C14 | C13 | H12 | 68.0° | 62.3° |
| O8 | S2 | O9 | H28 | 136.7° | 66.4° |
| F6 | C24 | C23 | C27 | 178.8° | 180.0° |
| F6 | C24 | C23 | C22 | 179.8° | 180.0° |
| F6 | C24 | C27 | O15 | 1.0° | 0.0° |
| F6 | C24 | C27 | C26 | 179.2° | 179.8° |
| C24 | C23 | C22 | C21 | 177.9° | 180.0° |
| C24 | C23 | C22 | C25 | 1.4° | 0.2° |
| C23 | C24 | C27 | O15 | 179.8° | 180.0° |
| C23 | C24 | C27 | C26 | 2.1° | 0.2° |
| C23 | C22 | C21 | N2 | 128.7° | 90.3° |
| C23 | C22 | C21 | C25 | 179.3° | 179.7° |
| C22 | C23 | C24 | C27 | 1.0° | 0.0° |
| C23 | C22 | C25 | C26 | 2.8° | 0.3° |
| C23 | C22 | C25 | F7 | 179.1° | 179.7° |
| C21 | N2 | C20 | C16 | 130.8° | 153.0° |
| C21 | N2 | C20 | H24 | 180.0° | 180.0° |
| C21 | N2 | C20 | C19 | 104.6° | 87.5° |
| N2 | C21 | C22 | C25 | 52.0° | 90.0° |
| C21 | N2 | C20 | H23 | 14.6° | 32.8° |
| C22 | C21 | N2 | C20 | 176.6° | 180.0° |
| C21 | C22 | C25 | C26 | 176.5° | 180.0° |
| C21 | C22 | C25 | F7 | 0.2° | 0.0° |
| C22 | C21 | N2 | H24 | 3.4° | 0.1° |
| C16 | C15 | S1 | O11 | 121.8° | 120.0° |
| C16 | C15 | S1 | H15 | 116.7° | 120.1° |
| C16 | C15 | O11 | H15 | 123.2° | 120.0° |
| C15 | C16 | C20 | H16 | 121.0° | 119.9° |
| C15 | C16 | C20 | N2 | 164.2° | 176.8° |
| C15 | C16 | C20 | C19 | 40.5° | 57.0° |
| C16 | C15 | S1 | C14 | 177.9° | 175.0° |
| C16 | C15 | O11 | C17 | 62.3° | 61.1° |
| C15 | C16 | C20 | H23 | 79.1° | 62.9° |
| S1 | C15 | O11 | H15 | 118.7° | 120.0° |
| S1 | C15 | C16 | C20 | 167.0° | 177.6° |
| C15 | S1 | C14 | C13 | 129.8° | 175.1° |
| S1 | C15 | O11 | C17 | 179.7° | 178.8° |
| C15 | S1 | C14 | H14 | 9.8° | 55.0° |
| S1 | C15 | C16 | H16 | 45.9° | 57.7° |
| O11 | C15 | C16 | C20 | 45.8° | 57.6° |
| O11 | C15 | S1 | C14 | 56.1° | 65.0° |
| C15 | O11 | C17 | C19 | 67.1° | 61.1° |
| C15 | O11 | C17 | C18 | 170.2° | 178.9° |
| O11 | C15 | C16 | H16 | 75.3° | 62.3° |
| C15 | O11 | C17 | H17 | 50.3° | 58.8° |
| O3 | C10 | C9 | H6 | 122.1° | 120.1° |
| O3 | C10 | C9 | C13 | 62.4° | 62.9° |
| O3 | C10 | C9 | N1 | 57.3° | 57.0° |
| O3 | C10 | C9 | H5 | 177.4° | 177.2° |
| O3 | C10 | C11 | H8 | 178.3° | 177.7° |
| C10 | C9 | C13 | C14 | 51.5° | 57.0° |
| C10 | C9 | C13 | N1 | 120.2° | 119.9° |
| C10 | C9 | C13 | H5 | 120.0° | 119.9° |
| C10 | C9 | N1 | H5 | 119.3° | 120.2° |
| C10 | C9 | C13 | O6 | 173.8° | 176.9° |
| C10 | C9 | N1 | C8 | 83.7° | 155.5° |
| C10 | C9 | N1 | H4 | 96.4° | 24.7° |
| C9 | C10 | O3 | H7 | 61.7° | 180.0° |
| C9 | C10 | C11 | H8 | 57.7° | 62.4° |
| C10 | C9 | C13 | H12 | 66.1° | 63.0° |
| C16 | C20 | N2 | C19 | 124.7° | 119.5° |
| C16 | C20 | N2 | H23 | 116.2° | 120.2° |
| C16 | C20 | C19 | H23 | 119.6° | 119.9° |
| C16 | C20 | C19 | C17 | 47.7° | 57.0° |
| C16 | C20 | C19 | O13 | 74.6° | 62.9° |
| C20 | C16 | C15 | H15 | 78.4° | 62.4° |
| C16 | C20 | C19 | H21 | 165.6° | 176.9° |
| C16 | C20 | N2 | H24 | 49.2° | 27.0° |
| N2 | C20 | C19 | H23 | 119.7° | 120.2° |
| N2 | C20 | C19 | C17 | 168.4° | 176.9° |
| N2 | C20 | C19 | O13 | 46.1° | 57.0° |
| N2 | C20 | C16 | H16 | 43.3° | 56.9° |
| N2 | C20 | C19 | H21 | 73.7° | 63.3° |
| C20 | C19 | C17 | O11 | 58.0° | 57.6° |
| C20 | C19 | C17 | O13 | 122.9° | 119.9° |
| C20 | C19 | C17 | H21 | 118.1° | 119.9° |
| C20 | C19 | C17 | C18 | 178.5° | 177.6° |
| C20 | C19 | O13 | H21 | 118.9° | 120.2° |
| C19 | C20 | C16 | H16 | 80.5° | 62.9° |
| C20 | C19 | C17 | H17 | 60.5° | 62.3° |
| C20 | C19 | O13 | H22 | 180.0° | 179.7° |
| C19 | C20 | N2 | H24 | 75.5° | 92.5° |
| S1 | C14 | C13 | H14 | 118.0° | 120.0° |
| S1 | C14 | C13 | C9 | 166.8° | 177.6° |
| S1 | C14 | C13 | O6 | 70.3° | 62.5° |
| S1 | C14 | C13 | H12 | 49.2° | 57.6° |
| C14 | S1 | C15 | H15 | 65.4° | 55.0° |
| C14 | C13 | C9 | O6 | 122.3° | 119.9° |
| C14 | C13 | C9 | H12 | 117.6° | 120.0° |
| C14 | C13 | C9 | N1 | 171.7° | 176.8° |
| C14 | C13 | O6 | H12 | 118.4° | 120.2° |
| C14 | C13 | C9 | H5 | 68.6° | 62.9° |
| C14 | C13 | O6 | H13 | 180.0° | 60.3° |
| O11 | C17 | C19 | C18 | 120.6° | 119.9° |
| O11 | C17 | C19 | H17 | 118.5° | 120.0° |
| O11 | C17 | C18 | H17 | 120.8° | 120.1° |
| O11 | C17 | C19 | O13 | 64.9° | 62.3° |
| O11 | C17 | C18 | O12 | 61.9° | 65.0° |
| C17 | O11 | C15 | H15 | 60.9° | 58.9° |
| O11 | C17 | C18 | H18 | 177.8° | 175.0° |
| O11 | C17 | C18 | H19 | 58.4° | 54.9° |
| O11 | C17 | C19 | H21 | 176.1° | 177.6° |
| C19 | C17 | C18 | H17 | 120.9° | 120.0° |
| C17 | C19 | O13 | H21 | 118.0° | 120.1° |
| C19 | C17 | C18 | O12 | 179.8° | 175.1° |
| C19 | C17 | C18 | H18 | 59.5° | 55.1° |
| C19 | C17 | C18 | H19 | 59.9° | 65.0° |
| C17 | C19 | O13 | H22 | 56.8° | 60.0° |
| C17 | C19 | C20 | H23 | 72.0° | 62.9° |
| C18 | C17 | C19 | O13 | 55.7° | 57.6° |
| C17 | C18 | O12 | H18 | 120.3° | 120.0° |
| C17 | C18 | O12 | H19 | 120.3° | 120.0° |
| C17 | C18 | H18 | H19 | 119.1° | 120.0° |
| C17 | C18 | O12 | H20 | 180.0° | 180.0° |
| C18 | C17 | C19 | H21 | 63.4° | 62.5° |
| C24 | C27 | O15 | C26 | 178.0° | 179.8° |
| C24 | C27 | C26 | C25 | 0.7° | 0.2° |
| C24 | C27 | O15 | C28 | 152.9° | 90.0° |
| C24 | C27 | C26 | F8 | 178.4° | 179.7° |
| C22 | C25 | C26 | C27 | 1.7° | 0.1° |
| C22 | C25 | C26 | F7 | 176.5° | 180.0° |
| C22 | C25 | C26 | F8 | 179.1° | 180.0° |
| O13 | C19 | C17 | H17 | 176.6° | 177.7° |
| O13 | C19 | C20 | H23 | 165.8° | 177.2° |
| O12 | C18 | C17 | H17 | 59.0° | 55.0° |
| O12 | C18 | H18 | H19 | 119.1° | 120.0° |
| C13 | C9 | N1 | H5 | 119.1° | 120.2° |
| C9 | C13 | O6 | H12 | 119.0° | 120.1° |
| C13 | C9 | N1 | C8 | 154.8° | 85.0° |
| C13 | C9 | N1 | H4 | 25.2° | 94.9° |
| C13 | C9 | C10 | H6 | 175.4° | 177.0° |
| C9 | C13 | O6 | H13 | 57.4° | 180.0° |
| C9 | C13 | C14 | H14 | 75.2° | 62.4° |
| N1 | C9 | C13 | O6 | 66.0° | 63.3° |
| C9 | N1 | C8 | H4 | 180.0° | 179.9° |
| C9 | N1 | C8 | O2 | 27.4° | 0.0° |
| C9 | N1 | C8 | C7 | 166.4° | 180.0° |
| N1 | C9 | C10 | H6 | 64.9° | 63.1° |
| N1 | C9 | C13 | H12 | 54.1° | 56.8° |
| O6 | C13 | C9 | H5 | 53.8° | 57.0° |
| O6 | C13 | C14 | H14 | 47.7° | 57.5° |
| O15 | C27 | C26 | C25 | 178.7° | 180.0° |
| O15 | C27 | C26 | F8 | 0.4° | 0.1° |
| C27 | O15 | C28 | H25 | 180.0° | 60.0° |
| C27 | O15 | C28 | H26 | 60.0° | 180.0° |
| C27 | O15 | C28 | H27 | 60.0° | 60.0° |
| C27 | C26 | C25 | F8 | 179.2° | 179.9° |
| C27 | C26 | C25 | F7 | 178.2° | 179.9° |
| C26 | C27 | O15 | C28 | 29.0° | 89.8° |
| F7 | C25 | C26 | F8 | 2.6° | 0.1° |
| O15 | C28 | H25 | H26 | 120.0° | 120.0° |
| O15 | C28 | H25 | H27 | 120.0° | 120.0° |
| O15 | C28 | H26 | H27 | 120.0° | 120.0° |
| N1 | C8 | O2 | C7 | 135.8° | 180.0° |
| N1 | C8 | C7 | C6 | 37.5° | 90.1° |
| N1 | C8 | C7 | C2 | 132.9° | 90.8° |
| C8 | N1 | C9 | H5 | 35.6° | 35.2° |
| O2 | C8 | C7 | C6 | 175.8° | 90.0° |
| O2 | C8 | C7 | C2 | 5.4° | 89.1° |
| O2 | C8 | N1 | H4 | 152.6° | 179.9° |
| C8 | C7 | C6 | F4 | 7.8° | 0.6° |
| C8 | C7 | C6 | C2 | 170.2° | 179.1° |
| C8 | C7 | C6 | C5 | 175.2° | 180.0° |
| C8 | C7 | C2 | F2 | 4.1° | 0.4° |
| C8 | C7 | C2 | C1 | 173.5° | 179.7° |
| C7 | C8 | N1 | H4 | 13.5° | 0.1° |
| F4 | C6 | C7 | C5 | 177.1° | 179.5° |
| F4 | C6 | C7 | C2 | 177.9° | 179.7° |
| F4 | C6 | C5 | F3 | 1.8° | 0.0° |
| F4 | C6 | C5 | C3 | 179.5° | 180.0° |
| C6 | C7 | C2 | F2 | 174.7° | 179.5° |
| C6 | C7 | C2 | C1 | 2.9° | 0.6° |
| C7 | C6 | C5 | F3 | 175.4° | 179.5° |
| C7 | C6 | C5 | C3 | 3.2° | 0.5° |
| C2 | C7 | C6 | C5 | 5.0° | 0.8° |
| C7 | C2 | F2 | C1 | 177.6° | 179.9° |
| C7 | C2 | C1 | C3 | 0.9° | 0.0° |
| C7 | C2 | C1 | F1 | 177.1° | 179.7° |
| C6 | C5 | F3 | C3 | 178.7° | 180.0° |
| C6 | C5 | C3 | C1 | 0.6° | 0.1° |
| C6 | C5 | C3 | O1 | 179.8° | 180.0° |
| F2 | C2 | C1 | C3 | 178.5° | 180.0° |
| F2 | C2 | C1 | F1 | 5.3° | 0.2° |
| C2 | C1 | C3 | C5 | 2.7° | 0.3° |
| C2 | C1 | C3 | F1 | 176.0° | 179.7° |
| C2 | C1 | C3 | O1 | 178.2° | 179.8° |
| F3 | C5 | C3 | C1 | 179.2° | 180.0° |
| F3 | C5 | C3 | O1 | 1.6° | 0.1° |
| C5 | C3 | C1 | O1 | 179.1° | 179.9° |
| C5 | C3 | C1 | F1 | 178.7° | 180.0° |
| C5 | C3 | O1 | C4 | 177.7° | 89.9° |
| C1 | C3 | O1 | C4 | 3.2° | 90.0° |
| F1 | C1 | C3 | O1 | 2.2° | 0.1° |
| C3 | O1 | C4 | H1 | 180.0° | 60.0° |
| C3 | O1 | C4 | H2 | 60.0° | 180.0° |
| C3 | O1 | C4 | H3 | 60.0° | 60.0° |
| O1 | C4 | H1 | H2 | 120.0° | 120.0° |
| O1 | C4 | H1 | H3 | 120.0° | 120.0° |
| O1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H4 | N1 | C9 | H5 | 144.3° | 144.9° |
| H5 | C9 | C10 | H6 | 55.2° | 57.1° |
| H5 | C9 | C13 | H12 | 173.9° | 177.1° |
| H6 | C10 | O3 | H7 | 59.4° | 59.9° |
| H6 | C10 | C11 | H8 | 60.1° | 57.6° |
| H8 | C11 | C12 | H9 | 160.2° | 65.0° |
| H8 | C11 | C12 | H10 | 40.4° | 175.1° |
| H9 | C12 | O4 | H11 | 59.9° | 60.1° |
| H10 | C12 | O4 | H11 | 59.9° | 60.0° |
| H12 | C13 | O6 | H13 | 61.6° | 59.9° |
| H12 | C13 | C14 | H14 | 167.2° | 177.6° |
| H15 | C15 | C16 | H16 | 160.6° | 177.7° |
| H16 | C16 | C20 | H23 | 160.0° | 177.2° |
| H17 | C17 | C18 | H18 | 61.4° | 64.9° |
| H17 | C17 | C18 | H19 | 179.3° | 175.0° |
| H17 | C17 | C19 | H21 | 57.6° | 57.6° |
| H18 | C18 | O12 | H20 | 59.7° | 60.0° |
| H19 | C18 | O12 | H20 | 59.7° | 60.0° |
| H21 | C19 | O13 | H22 | 61.2° | 60.1° |
| H21 | C19 | C20 | H23 | 46.0° | 57.0° |
| H23 | C20 | N2 | H24 | 165.4° | 147.2° |
| H25 | C28 | H26 | H27 | 120.0° | 120.0° |
