Q2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | N4 | sing | 1.47Å | 1.49Å | |
| C5 | N4 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| N4 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | C3 | sing | 1.34Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.41Å | |
| O1 | C1 | doub | 1.22Å | 1.35Å | |
| C3 | N2 | sing | 1.39Å | 1.37Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N2 | C2 | sing | 1.35Å | 1.37Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C2 | O2 | doub | 1.22Å | 1.19Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C14 | C9 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | C15 | sing | 1.53Å | 1.52Å | |
| O3 | S1 | doub | 1.42Å | 1.59Å | |
| C15 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | S1 | sing | 1.66Å | 1.64Å | |
| S1 | O4 | doub | 1.42Å | 1.55Å | |
| S1 | C16 | sing | 1.76Å | 1.76Å | |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.49Å | |
| C24 | O6 | sing | 1.43Å | 1.47Å | |
| C21 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | O5 | sing | 1.36Å | 1.41Å | |
| C23 | C22 | sing | 1.53Å | 1.46Å | |
| C20 | F1 | sing | 1.35Å | 1.37Å | |
| O6 | C25 | sing | 1.43Å | 1.47Å | |
| C22 | O5 | sing | 1.43Å | 1.44Å | |
| C22 | C26 | sing | 1.53Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | N4 | 108.9° | 109.5° |
| C7 | C6 | H3 | 109.6° | 109.5° |
| C7 | C6 | H4 | 109.6° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C6 | C7 | H6 | 109.4° | 109.4° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | N4 | C5 | 126.2° | 126.5° |
| C6 | N4 | C4 | 126.9° | 126.5° |
| N4 | C6 | H3 | 109.6° | 109.5° |
| N4 | C6 | H4 | 109.6° | 109.4° |
| N4 | C5 | N3 | 113.3° | 109.7° |
| C5 | N4 | C4 | 106.3° | 107.0° |
| N4 | C5 | H2 | 123.3° | 125.2° |
| C5 | N3 | C3 | 105.1° | 109.8° |
| N3 | C5 | H2 | 123.4° | 125.2° |
| N4 | C4 | C3 | 106.8° | 106.3° |
| N4 | C4 | C1 | 135.8° | 134.6° |
| N3 | C3 | C4 | 108.4° | 107.2° |
| N3 | C3 | N2 | 128.4° | 133.9° |
| C3 | C4 | C1 | 117.4° | 119.1° |
| C4 | C3 | N2 | 123.2° | 118.9° |
| C4 | C1 | O1 | 122.8° | 120.3° |
| C4 | C1 | N1 | 118.9° | 119.3° |
| O1 | C1 | N1 | 118.2° | 120.4° |
| C3 | N2 | C2 | 118.6° | 120.1° |
| C3 | N2 | C8 | 120.3° | 119.9° |
| C1 | N1 | C2 | 122.8° | 121.0° |
| C1 | N1 | H1 | 118.6° | 119.5° |
| N1 | C2 | N2 | 119.1° | 121.7° |
| N1 | C2 | O2 | 117.8° | 119.2° |
| C2 | N1 | H1 | 118.6° | 119.5° |
| C2 | N2 | C8 | 121.1° | 120.0° |
| N2 | C2 | O2 | 123.1° | 119.1° |
| N2 | C8 | C9 | 107.4° | 109.5° |
| N2 | C8 | H8 | 110.0° | 109.5° |
| N2 | C8 | H9 | 110.0° | 109.4° |
| C8 | C9 | C14 | 115.3° | 109.5° |
| C8 | C9 | C10 | 107.3° | 109.5° |
| C9 | C8 | H8 | 110.0° | 109.5° |
| C9 | C8 | H9 | 110.0° | 109.5° |
| C8 | C9 | H33 | 108.0° | 109.5° |
| C9 | C14 | C13 | 112.3° | 109.5° |
| C14 | C9 | C10 | 109.0° | 109.4° |
| C9 | C14 | H26 | 108.7° | 109.4° |
| C9 | C14 | H27 | 108.8° | 109.5° |
| C14 | C9 | H33 | 108.5° | 109.5° |
| C14 | C13 | C12 | 108.4° | 109.5° |
| C14 | C13 | H12 | 109.8° | 109.5° |
| C14 | C13 | H13 | 109.7° | 109.5° |
| C13 | C14 | H26 | 108.8° | 109.4° |
| C13 | C14 | H27 | 108.7° | 109.5° |
| C9 | C10 | C11 | 108.0° | 109.5° |
| C9 | C10 | H10 | 109.8° | 109.4° |
| C9 | C10 | H11 | 109.8° | 109.5° |
| C10 | C9 | H33 | 108.4° | 109.4° |
| C13 | C12 | C11 | 109.3° | 109.5° |
| C13 | C12 | C15 | 104.3° | 109.5° |
| C12 | C13 | H12 | 109.7° | 109.4° |
| C12 | C13 | H13 | 109.7° | 109.5° |
| C13 | C12 | H25 | 109.9° | 109.4° |
| C10 | C11 | C12 | 110.8° | 109.5° |
| C11 | C10 | H10 | 109.8° | 109.5° |
| C11 | C10 | H11 | 109.8° | 109.5° |
| C10 | C11 | H23 | 109.1° | 109.5° |
| C10 | C11 | H24 | 109.1° | 109.5° |
| C11 | C12 | C15 | 113.0° | 109.5° |
| C12 | C11 | H23 | 109.2° | 109.4° |
| C12 | C11 | H24 | 109.1° | 109.5° |
| C11 | C12 | H25 | 110.1° | 109.4° |
| C12 | C15 | N5 | 111.1° | 109.5° |
| C12 | C15 | H14 | 109.0° | 109.5° |
| C12 | C15 | H15 | 109.0° | 109.5° |
| C15 | C12 | H25 | 110.0° | 109.5° |
| O3 | S1 | N5 | 110.6° | 106.4° |
| O3 | S1 | O4 | 110.7° | 123.2° |
| O3 | S1 | C16 | 109.3° | 106.4° |
| C15 | N5 | S1 | 117.8° | 120.0° |
| N5 | C15 | H14 | 109.1° | 109.4° |
| N5 | C15 | H15 | 109.0° | 109.5° |
| C15 | N5 | H34 | 107.4° | 120.0° |
| N5 | S1 | O4 | 108.5° | 106.4° |
| N5 | S1 | C16 | 108.0° | 107.3° |
| S1 | N5 | H34 | 107.3° | 120.0° |
| O4 | S1 | C16 | 109.8° | 106.4° |
| S1 | C16 | C17 | 119.3° | 119.9° |
| S1 | C16 | C21 | 116.1° | 120.0° |
| C16 | C17 | C18 | 116.7° | 120.1° |
| C17 | C16 | C21 | 124.6° | 120.1° |
| C16 | C17 | H16 | 121.6° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.0° |
| C18 | C17 | H16 | 121.7° | 120.0° |
| C17 | C18 | H28 | 119.8° | 120.0° |
| C16 | C21 | C20 | 116.6° | 120.1° |
| C16 | C21 | H17 | 121.7° | 119.9° |
| C18 | C19 | C20 | 120.3° | 119.9° |
| C18 | C19 | O5 | 125.8° | 120.1° |
| C19 | C18 | H28 | 119.8° | 120.0° |
| C23 | C24 | O6 | 111.4° | 109.4° |
| C24 | C23 | C22 | 105.9° | 109.2° |
| C23 | C24 | H19 | 109.0° | 109.5° |
| C23 | C24 | H20 | 109.0° | 109.4° |
| C24 | C23 | H29 | 110.4° | 109.6° |
| C24 | C23 | H30 | 110.4° | 109.5° |
| C24 | O6 | C25 | 120.4° | 114.1° |
| O6 | C24 | H19 | 109.0° | 109.5° |
| O6 | C24 | H20 | 109.0° | 109.5° |
| C21 | C20 | C19 | 121.3° | 119.9° |
| C21 | C20 | F1 | 119.3° | 120.0° |
| C20 | C21 | H17 | 121.7° | 120.0° |
| C20 | C19 | O5 | 113.9° | 120.0° |
| C19 | C20 | F1 | 119.2° | 120.1° |
| C19 | O5 | C22 | 118.9° | 117.0° |
| C23 | C22 | O5 | 105.7° | 109.6° |
| C23 | C22 | C26 | 108.0° | 109.0° |
| C23 | C22 | H18 | 111.8° | 109.6° |
| C22 | C23 | H29 | 110.4° | 109.5° |
| C22 | C23 | H30 | 110.3° | 109.5° |
| O6 | C25 | C26 | 116.3° | 109.4° |
| O6 | C25 | H31 | 107.8° | 109.4° |
| O6 | C25 | H32 | 107.7° | 109.5° |
| O5 | C22 | C26 | 107.2° | 109.5° |
| O5 | C22 | H18 | 112.1° | 109.6° |
| C22 | C26 | C25 | 113.7° | 109.1° |
| C26 | C22 | H18 | 111.8° | 109.5° |
| C22 | C26 | H21 | 108.4° | 109.5° |
| C22 | C26 | H22 | 108.4° | 109.5° |
| C25 | C26 | H21 | 108.4° | 109.6° |
| C25 | C26 | H22 | 108.4° | 109.6° |
| C26 | C25 | H31 | 107.8° | 109.5° |
| C26 | C25 | H32 | 107.7° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.4° | 109.6° |
| H31 | C25 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | N4 | H3 | 119.9° | 120.0° |
| C7 | C6 | N4 | H4 | 119.9° | 120.0° |
| C7 | C6 | N4 | C5 | 92.2° | 95.1° |
| C7 | C6 | N4 | C4 | 77.2° | 86.0° |
| C7 | C6 | H3 | H4 | 120.2° | 120.0° |
| C6 | C7 | H5 | H6 | 120.0° | 120.0° |
| C6 | C7 | H5 | H7 | 120.0° | 120.0° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C6 | N4 | C5 | C4 | 171.2° | 179.1° |
| C6 | N4 | C5 | N3 | 173.8° | 179.9° |
| C6 | N4 | C4 | C3 | 172.4° | 179.2° |
| C6 | N4 | C4 | C1 | 9.1° | 0.1° |
| C6 | N4 | C5 | H2 | 6.2° | 0.2° |
| N4 | C6 | H3 | H4 | 120.3° | 120.0° |
| N4 | C6 | C7 | H5 | 180.0° | 60.0° |
| N4 | C6 | C7 | H6 | 60.0° | 60.0° |
| N4 | C6 | C7 | H7 | 60.0° | 180.0° |
| N4 | C5 | N3 | H2 | 180.0° | 179.9° |
| N4 | C5 | N3 | C3 | 2.8° | 1.3° |
| C5 | N4 | C4 | C3 | 1.2° | 0.1° |
| C5 | N4 | C4 | C1 | 179.8° | 179.0° |
| C5 | N4 | C6 | H3 | 147.8° | 144.9° |
| C5 | N4 | C6 | H4 | 27.7° | 24.9° |
| N3 | C5 | N4 | C4 | 2.6° | 0.9° |
| C5 | N3 | C3 | C4 | 1.9° | 1.3° |
| C5 | N3 | C3 | N2 | 178.9° | 179.7° |
| N4 | C4 | C3 | N3 | 0.4° | 0.7° |
| N4 | C4 | C3 | C1 | 178.9° | 179.3° |
| N4 | C4 | C1 | O1 | 5.1° | 0.5° |
| N4 | C4 | C3 | N2 | 179.6° | 180.0° |
| N4 | C4 | C1 | N1 | 178.7° | 179.6° |
| C4 | N4 | C5 | H2 | 177.4° | 179.2° |
| C4 | N4 | C6 | H3 | 42.7° | 34.0° |
| C4 | N4 | C6 | H4 | 162.9° | 154.0° |
| N3 | C3 | C4 | N2 | 179.2° | 179.2° |
| N3 | C3 | C4 | C1 | 178.5° | 180.0° |
| N3 | C3 | N2 | C2 | 177.3° | 179.5° |
| N3 | C3 | N2 | C8 | 1.7° | 1.0° |
| C3 | N3 | C5 | H2 | 177.2° | 178.8° |
| C3 | C4 | C1 | O1 | 176.4° | 179.5° |
| C3 | C4 | C1 | N1 | 0.3° | 0.5° |
| C4 | C3 | N2 | C2 | 1.8° | 0.5° |
| C4 | C3 | N2 | C8 | 179.2° | 180.0° |
| C4 | C1 | O1 | N1 | 176.2° | 180.0° |
| C1 | C4 | C3 | N2 | 0.8° | 0.8° |
| C4 | C1 | N1 | C2 | 0.8° | 0.0° |
| C4 | C1 | N1 | H1 | 179.2° | 179.7° |
| O1 | C1 | N1 | C2 | 177.2° | 180.0° |
| O1 | C1 | N1 | H1 | 2.9° | 0.3° |
| C3 | N2 | C2 | N1 | 2.3° | 0.0° |
| C3 | N2 | C2 | C8 | 179.0° | 179.5° |
| C3 | N2 | C2 | O2 | 179.5° | 180.0° |
| C3 | N2 | C8 | C9 | 97.1° | 90.0° |
| C3 | N2 | C8 | H8 | 143.3° | 30.0° |
| C3 | N2 | C8 | H9 | 22.6° | 150.0° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | N2 | 1.8° | 0.3° |
| C1 | N1 | C2 | O2 | 179.9° | 179.7° |
| N1 | C2 | N2 | O2 | 178.2° | 180.0° |
| N1 | C2 | N2 | C8 | 178.7° | 179.5° |
| C2 | N2 | C8 | C9 | 83.9° | 90.5° |
| N2 | C2 | N1 | H1 | 178.2° | 180.0° |
| C2 | N2 | C8 | H8 | 35.7° | 149.5° |
| C2 | N2 | C8 | H9 | 156.4° | 29.5° |
| C8 | N2 | C2 | O2 | 0.5° | 0.5° |
| N2 | C8 | C9 | H8 | 119.7° | 120.0° |
| N2 | C8 | C9 | H9 | 119.7° | 119.9° |
| N2 | C8 | C9 | C14 | 61.8° | 175.0° |
| N2 | C8 | C9 | C10 | 176.5° | 65.0° |
| N2 | C8 | H8 | H9 | 120.9° | 119.9° |
| N2 | C8 | C9 | H33 | 59.8° | 55.0° |
| O2 | C2 | N1 | H1 | 0.1° | 0.1° |
| C8 | C9 | C14 | C10 | 120.8° | 120.0° |
| C8 | C9 | C14 | H33 | 121.3° | 120.0° |
| C8 | C9 | C14 | C13 | 179.3° | 180.0° |
| C8 | C9 | C10 | H33 | 116.5° | 120.0° |
| C8 | C9 | C10 | C11 | 175.8° | 180.0° |
| C9 | C8 | H8 | H9 | 120.9° | 120.0° |
| C8 | C9 | C10 | H10 | 56.0° | 60.0° |
| C8 | C9 | C10 | H11 | 64.4° | 60.0° |
| C8 | C9 | C14 | H26 | 58.9° | 60.0° |
| C8 | C9 | C14 | H27 | 60.3° | 60.0° |
| C9 | C14 | C13 | H26 | 120.4° | 120.0° |
| C9 | C14 | C13 | H27 | 120.4° | 120.1° |
| C14 | C9 | C10 | H33 | 118.0° | 120.0° |
| C9 | C14 | C13 | C12 | 57.7° | 60.0° |
| C14 | C9 | C10 | C11 | 58.6° | 60.0° |
| C14 | C9 | C8 | H8 | 178.5° | 55.0° |
| C14 | C9 | C8 | H9 | 57.8° | 65.0° |
| C14 | C9 | C10 | H10 | 178.4° | 60.0° |
| C14 | C9 | C10 | H11 | 61.2° | 180.0° |
| C9 | C14 | C13 | H12 | 177.5° | 59.9° |
| C9 | C14 | C13 | H13 | 62.2° | 180.0° |
| C9 | C14 | H26 | H27 | 118.7° | 120.0° |
| C13 | C14 | C9 | C10 | 58.5° | 60.0° |
| C14 | C13 | C12 | H12 | 119.9° | 120.0° |
| C14 | C13 | C12 | H13 | 119.8° | 120.0° |
| C14 | C13 | C12 | C11 | 58.1° | 60.0° |
| C14 | C13 | C12 | C15 | 179.3° | 180.0° |
| C14 | C13 | H12 | H13 | 120.5° | 120.1° |
| C14 | C13 | C12 | H25 | 62.8° | 60.0° |
| C13 | C14 | H26 | H27 | 118.7° | 120.0° |
| C13 | C14 | C9 | H33 | 59.4° | 59.9° |
| C9 | C10 | C11 | H10 | 119.8° | 120.0° |
| C9 | C10 | C11 | H11 | 119.8° | 120.0° |
| C9 | C10 | C11 | C12 | 62.1° | 60.0° |
| C10 | C9 | C8 | H8 | 56.8° | 175.0° |
| C10 | C9 | C8 | H9 | 63.8° | 55.0° |
| C9 | C10 | H10 | H11 | 120.7° | 120.0° |
| C9 | C10 | C11 | H23 | 58.1° | 60.0° |
| C9 | C10 | C11 | H24 | 177.7° | 180.0° |
| C10 | C9 | C14 | H26 | 61.9° | 179.9° |
| C10 | C9 | C14 | H27 | 179.0° | 60.1° |
| C13 | C12 | C11 | C10 | 62.3° | 59.9° |
| C13 | C12 | C11 | C15 | 115.6° | 120.1° |
| C13 | C12 | C11 | H25 | 120.8° | 120.0° |
| C13 | C12 | C15 | H25 | 117.8° | 120.0° |
| C13 | C12 | C15 | N5 | 170.9° | 175.0° |
| C12 | C13 | H12 | H13 | 120.5° | 120.0° |
| C13 | C12 | C15 | H14 | 50.6° | 55.0° |
| C13 | C12 | C15 | H15 | 68.9° | 65.0° |
| C13 | C12 | C11 | H23 | 57.9° | 60.0° |
| C13 | C12 | C11 | H24 | 177.5° | 179.9° |
| C12 | C13 | C14 | H26 | 62.7° | 180.0° |
| C12 | C13 | C14 | H27 | 178.1° | 60.1° |
| C10 | C11 | C12 | H23 | 120.2° | 120.0° |
| C10 | C11 | C12 | H24 | 120.2° | 120.0° |
| C10 | C11 | C12 | C15 | 177.9° | 180.0° |
| C11 | C10 | H10 | H11 | 120.7° | 120.0° |
| C10 | C11 | H23 | H24 | 119.4° | 120.0° |
| C10 | C11 | C12 | H25 | 58.5° | 60.0° |
| C11 | C10 | C9 | H33 | 59.3° | 60.0° |
| C11 | C12 | C15 | H25 | 123.6° | 120.0° |
| C11 | C12 | C15 | N5 | 70.5° | 65.0° |
| C12 | C11 | C10 | H10 | 178.2° | 60.0° |
| C12 | C11 | C10 | H11 | 57.7° | 180.0° |
| C11 | C12 | C13 | H12 | 178.0° | 60.0° |
| C11 | C12 | C13 | H13 | 61.7° | 180.0° |
| C11 | C12 | C15 | H14 | 169.2° | 175.1° |
| C11 | C12 | C15 | H15 | 49.7° | 55.0° |
| C12 | C11 | H23 | H24 | 119.4° | 120.0° |
| C12 | C15 | N5 | H14 | 120.3° | 120.0° |
| C12 | C15 | N5 | H15 | 120.2° | 120.0° |
| C12 | C15 | N5 | S1 | 140.4° | 165.0° |
| C15 | C12 | C13 | H12 | 60.9° | 60.0° |
| C15 | C12 | C13 | H13 | 59.4° | 60.0° |
| C12 | C15 | H14 | H15 | 119.2° | 120.0° |
| C15 | C12 | C11 | H23 | 57.7° | 60.0° |
| C15 | C12 | C11 | H24 | 61.9° | 60.0° |
| C12 | C15 | N5 | H34 | 98.3° | 15.0° |
| O3 | S1 | N5 | C15 | 55.6° | 48.6° |
| O3 | S1 | N5 | O4 | 121.6° | 132.9° |
| O3 | S1 | N5 | C16 | 119.5° | 113.5° |
| O3 | S1 | O4 | C16 | 120.7° | 123.0° |
| O3 | S1 | C16 | C17 | 10.0° | 156.5° |
| O3 | S1 | C16 | C21 | 171.1° | 23.5° |
| O3 | S1 | N5 | H34 | 176.8° | 131.5° |
| C15 | N5 | S1 | H34 | 121.2° | 179.9° |
| C15 | N5 | S1 | O4 | 177.1° | 178.5° |
| C15 | N5 | S1 | C16 | 63.9° | 64.9° |
| N5 | C15 | H14 | H15 | 119.2° | 120.0° |
| N5 | C15 | C12 | H25 | 53.1° | 55.0° |
| N5 | S1 | O4 | C16 | 117.8° | 114.1° |
| N5 | S1 | C16 | C17 | 110.4° | 90.0° |
| N5 | S1 | C16 | C21 | 68.5° | 90.0° |
| S1 | N5 | C15 | H14 | 20.2° | 45.1° |
| S1 | N5 | C15 | H15 | 99.3° | 74.9° |
| O4 | S1 | C16 | C17 | 131.6° | 23.6° |
| O4 | S1 | C16 | C21 | 49.6° | 156.4° |
| O4 | S1 | N5 | H34 | 61.6° | 1.4° |
| S1 | C16 | C17 | C21 | 178.8° | 180.0° |
| S1 | C16 | C17 | C18 | 178.7° | 180.0° |
| S1 | C16 | C21 | C20 | 178.9° | 180.0° |
| S1 | C16 | C17 | H16 | 1.3° | 0.3° |
| S1 | C16 | C21 | H17 | 1.1° | 0.1° |
| C16 | S1 | N5 | H34 | 57.3° | 115.0° |
| C16 | C17 | C18 | H16 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 3.5° | 0.1° |
| C17 | C16 | C21 | C20 | 0.1° | 0.0° |
| C17 | C16 | C21 | H17 | 179.9° | 179.9° |
| C16 | C17 | C18 | H28 | 176.5° | 180.0° |
| C18 | C17 | C16 | C21 | 2.5° | 0.0° |
| C17 | C18 | C19 | H28 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 2.0° | 0.0° |
| C17 | C18 | C19 | O5 | 177.1° | 180.0° |
| C16 | C21 | C20 | H17 | 180.0° | 179.9° |
| C16 | C21 | C20 | C19 | 1.5° | 0.0° |
| C16 | C21 | C20 | F1 | 178.0° | 180.0° |
| C21 | C16 | C17 | H16 | 177.4° | 179.7° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C18 | C19 | C20 | O5 | 179.3° | 179.9° |
| C18 | C19 | C20 | F1 | 177.1° | 180.0° |
| C18 | C19 | O5 | C22 | 7.3° | 5.5° |
| C19 | C18 | C17 | H16 | 176.5° | 179.7° |
| C23 | C24 | O6 | H19 | 120.3° | 120.0° |
| C23 | C24 | O6 | H20 | 120.3° | 120.0° |
| C24 | C23 | C22 | H29 | 119.5° | 119.9° |
| C24 | C23 | C22 | H30 | 119.5° | 119.9° |
| C23 | C24 | O6 | C25 | 15.0° | 61.2° |
| C24 | C23 | C22 | O5 | 169.0° | 176.8° |
| C24 | C23 | C22 | C26 | 76.6° | 57.0° |
| C24 | C23 | C22 | H18 | 46.8° | 62.9° |
| C23 | C24 | H19 | H20 | 119.1° | 120.0° |
| C24 | C23 | H29 | H30 | 121.6° | 120.2° |
| O6 | C24 | C23 | C22 | 58.1° | 57.6° |
| C24 | O6 | C25 | C26 | 11.6° | 61.2° |
| O6 | C24 | H19 | H20 | 119.1° | 120.0° |
| O6 | C24 | C23 | H29 | 61.3° | 177.5° |
| O6 | C24 | C23 | H30 | 177.6° | 62.3° |
| C24 | O6 | C25 | H31 | 132.7° | 178.9° |
| C24 | O6 | C25 | H32 | 109.3° | 58.8° |
| C21 | C20 | C19 | F1 | 176.5° | 180.0° |
| C21 | C20 | C19 | O5 | 179.8° | 179.9° |
| C20 | C19 | O5 | C22 | 171.9° | 174.6° |
| C19 | C20 | C21 | H17 | 178.5° | 180.0° |
| C20 | C19 | C18 | H28 | 178.0° | 180.0° |
| C19 | O5 | C22 | C23 | 75.7° | 85.3° |
| O5 | C19 | C20 | F1 | 3.7° | 0.1° |
| C19 | O5 | C22 | C26 | 169.3° | 155.2° |
| C19 | O5 | C22 | H18 | 46.3° | 35.0° |
| O5 | C19 | C18 | H28 | 2.9° | 0.1° |
| C23 | C22 | O5 | C26 | 115.0° | 119.6° |
| C23 | C22 | O5 | H18 | 122.0° | 120.3° |
| C23 | C22 | C26 | H18 | 123.3° | 120.0° |
| C23 | C22 | C26 | C25 | 48.7° | 57.0° |
| C22 | C23 | C24 | H19 | 62.2° | 62.4° |
| C22 | C23 | C24 | H20 | 178.4° | 177.6° |
| C23 | C22 | C26 | H21 | 71.9° | 62.9° |
| C23 | C22 | C26 | H22 | 169.4° | 176.9° |
| C22 | C23 | H29 | H30 | 121.6° | 120.1° |
| F1 | C20 | C21 | H17 | 2.0° | 0.1° |
| O6 | C25 | C26 | C22 | 5.5° | 57.6° |
| O6 | C25 | C26 | H31 | 121.0° | 119.9° |
| O6 | C25 | C26 | H32 | 121.0° | 120.0° |
| C25 | O6 | C24 | H19 | 105.3° | 58.9° |
| C25 | O6 | C24 | H20 | 135.3° | 178.9° |
| O6 | C25 | C26 | H21 | 115.2° | 62.3° |
| O6 | C25 | C26 | H22 | 126.1° | 177.5° |
| O6 | C25 | H31 | H32 | 116.9° | 120.0° |
| O5 | C22 | C26 | H18 | 123.2° | 120.2° |
| O5 | C22 | C26 | C25 | 162.2° | 176.9° |
| O5 | C22 | C26 | H21 | 41.5° | 56.9° |
| O5 | C22 | C26 | H22 | 77.2° | 63.2° |
| O5 | C22 | C23 | H29 | 71.5° | 63.2° |
| O5 | C22 | C23 | H30 | 49.5° | 56.9° |
| C22 | C26 | C25 | H21 | 120.6° | 119.9° |
| C22 | C26 | C25 | H22 | 120.6° | 119.9° |
| C22 | C26 | H21 | H22 | 118.0° | 120.1° |
| C26 | C22 | C23 | H29 | 42.9° | 176.9° |
| C26 | C22 | C23 | H30 | 164.0° | 62.9° |
| C22 | C26 | C25 | H31 | 115.6° | 177.6° |
| C22 | C26 | C25 | H32 | 126.4° | 62.4° |
| C25 | C26 | C22 | H18 | 74.6° | 63.0° |
| C25 | C26 | H21 | H22 | 118.1° | 120.2° |
| C26 | C25 | H31 | H32 | 116.9° | 120.1° |
| H3 | C6 | C7 | H5 | 60.1° | 60.0° |
| H3 | C6 | C7 | H6 | 59.9° | 180.0° |
| H3 | C6 | C7 | H7 | 179.9° | 60.0° |
| H4 | C6 | C7 | H5 | 60.1° | 180.0° |
| H4 | C6 | C7 | H6 | 179.9° | 60.0° |
| H4 | C6 | C7 | H7 | 59.9° | 60.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | C9 | H33 | 59.9° | 65.0° |
| H9 | C8 | C9 | H33 | 179.4° | 174.9° |
| H10 | C10 | C11 | H23 | 61.6° | 180.0° |
| H10 | C10 | C11 | H24 | 58.0° | 60.0° |
| H10 | C10 | C9 | H33 | 60.4° | 180.0° |
| H11 | C10 | C11 | H23 | 177.9° | 60.0° |
| H11 | C10 | C11 | H24 | 62.5° | 60.0° |
| H11 | C10 | C9 | H33 | 179.1° | 60.0° |
| H12 | C13 | C12 | H25 | 57.0° | 180.0° |
| H12 | C13 | C14 | H26 | 57.2° | 60.0° |
| H12 | C13 | C14 | H27 | 62.0° | NaN° |
| H13 | C13 | C12 | H25 | 177.3° | 60.1° |
| H13 | C13 | C14 | H26 | 177.5° | 60.0° |
| H13 | C13 | C14 | H27 | 58.3° | 60.0° |
| H14 | C15 | C12 | H25 | 67.2° | 65.0° |
| H14 | C15 | N5 | H34 | 141.4° | 135.0° |
| H15 | C15 | C12 | H25 | 173.3° | 175.0° |
| H15 | C15 | N5 | H34 | 21.9° | 105.0° |
| H16 | C17 | C18 | H28 | 3.5° | 0.3° |
| H18 | C22 | C26 | H21 | 164.7° | 177.1° |
| H18 | C22 | C26 | H22 | 46.0° | 57.0° |
| H18 | C22 | C23 | H29 | 166.2° | 57.0° |
| H18 | C22 | C23 | H30 | 72.7° | 177.2° |
| H19 | C24 | C23 | H29 | 178.4° | 57.5° |
| H19 | C24 | C23 | H30 | 57.3° | 177.7° |
| H20 | C24 | C23 | H29 | 58.9° | 62.5° |
| H20 | C24 | C23 | H30 | 62.1° | 57.7° |
| H21 | C26 | C25 | H31 | 123.8° | 57.6° |
| H21 | C26 | C25 | H32 | 5.8° | 177.7° |
| H22 | C26 | C25 | H31 | 5.1° | 62.5° |
| H22 | C26 | C25 | H32 | 113.0° | 57.5° |
| H23 | C11 | C12 | H25 | 178.7° | 180.0° |
| H24 | C11 | C12 | H25 | 61.7° | 60.0° |
| H26 | C14 | C9 | H33 | 179.8° | 60.0° |
| H27 | C14 | C9 | H33 | 61.1° | 180.0° |
