E3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O3 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C3 | sing | 1.51Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C5 | sing | 1.36Å | 1.37Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C13 | sing | 1.47Å | 1.48Å | |
| N1 | C7 | sing | 1.47Å | 1.50Å | |
| C2 | C7 | sing | 1.51Å | 1.41Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | C10 | sing | 1.53Å | 1.54Å | |
| C12 | C16 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N2 | sing | 1.47Å | 1.49Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| N2 | C14 | sing | 1.47Å | 1.48Å | |
| N2 | S1 | sing | 1.66Å | 1.71Å | |
| O1 | S1 | doub | 1.42Å | 1.53Å | |
| O2 | S1 | doub | 1.42Å | 1.53Å | |
| S1 | C17 | sing | 1.81Å | 1.83Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O3 | C5 | 112.3° | 117.0° |
| O3 | C18 | H24 | 109.5° | 109.4° |
| O3 | C18 | H25 | 109.4° | 109.5° |
| O3 | C18 | H26 | 109.4° | 109.5° |
| C8 | C9 | C3 | 112.8° | 110.1° |
| C9 | C8 | N1 | 107.7° | 108.6° |
| C9 | C8 | H6 | 109.9° | 109.6° |
| C9 | C8 | H7 | 109.9° | 109.7° |
| C8 | C9 | H8 | 108.6° | 109.4° |
| C8 | C9 | H9 | 108.6° | 109.4° |
| C9 | C3 | C4 | 119.7° | 118.4° |
| C9 | C3 | C2 | 119.4° | 121.7° |
| C3 | C9 | H8 | 108.6° | 109.3° |
| C3 | C9 | H9 | 108.6° | 109.4° |
| C3 | C4 | C5 | 120.1° | 120.3° |
| C4 | C3 | C2 | 120.6° | 119.9° |
| C3 | C4 | H3 | 119.9° | 119.9° |
| C4 | C5 | O3 | 120.8° | 120.1° |
| C4 | C5 | C6 | 119.3° | 119.7° |
| C5 | C4 | H3 | 119.9° | 119.8° |
| O3 | C5 | C6 | 119.8° | 120.1° |
| C8 | N1 | C13 | 111.5° | 111.3° |
| C8 | N1 | C7 | 103.0° | 110.5° |
| N1 | C8 | H6 | 109.9° | 109.7° |
| N1 | C8 | H7 | 109.9° | 109.6° |
| C3 | C2 | C7 | 120.7° | 121.8° |
| C3 | C2 | C1 | 119.3° | 119.8° |
| C5 | C6 | C1 | 120.4° | 119.8° |
| C5 | C6 | H4 | 119.8° | 120.1° |
| C13 | N1 | C7 | 107.0° | 111.2° |
| N1 | C13 | C12 | 111.0° | 109.6° |
| N1 | C13 | H14 | 109.1° | 109.4° |
| N1 | C13 | H15 | 109.1° | 109.4° |
| N1 | C7 | C2 | 117.3° | 110.6° |
| N1 | C7 | C10 | 112.4° | 109.6° |
| N1 | C7 | H5 | 104.0° | 109.2° |
| C7 | C2 | C1 | 119.9° | 118.4° |
| C2 | C7 | C10 | 113.0° | 109.8° |
| C2 | C7 | H5 | 104.9° | 109.2° |
| C2 | C1 | C6 | 120.1° | 120.4° |
| C2 | C1 | H1 | 119.9° | 119.7° |
| C6 | C1 | H1 | 119.9° | 119.8° |
| C1 | C6 | H4 | 119.8° | 120.0° |
| C13 | C12 | C16 | 110.6° | 109.8° |
| C13 | C12 | C11 | 108.8° | 109.7° |
| C13 | C12 | H13 | 108.6° | 109.1° |
| C12 | C13 | H14 | 109.1° | 109.5° |
| C12 | C13 | H15 | 109.1° | 109.4° |
| C7 | C10 | C11 | 107.0° | 109.2° |
| C10 | C7 | H5 | 103.6° | 108.4° |
| C7 | C10 | H10 | 110.1° | 109.5° |
| C7 | C10 | H11 | 110.1° | 109.5° |
| C16 | C12 | C11 | 111.1° | 109.4° |
| C12 | C16 | C15 | 104.4° | 109.5° |
| C16 | C12 | H13 | 108.7° | 109.4° |
| C12 | C16 | H20 | 110.7° | 109.5° |
| C12 | C16 | H21 | 110.7° | 109.5° |
| C12 | C11 | C10 | 108.7° | 109.3° |
| C12 | C11 | N2 | 110.7° | 108.6° |
| C12 | C11 | H12 | 108.7° | 110.5° |
| C11 | C12 | H13 | 108.9° | 109.3° |
| C16 | C15 | C14 | 112.7° | 109.4° |
| C16 | C15 | H18 | 108.6° | 109.5° |
| C16 | C15 | H19 | 108.6° | 109.6° |
| C15 | C16 | H20 | 110.7° | 109.4° |
| C15 | C16 | H21 | 110.7° | 109.4° |
| C10 | C11 | N2 | 111.5° | 108.9° |
| C11 | C10 | H10 | 110.1° | 109.5° |
| C11 | C10 | H11 | 110.1° | 109.5° |
| C10 | C11 | H12 | 108.4° | 109.7° |
| C11 | N2 | C14 | 109.6° | 118.6° |
| C11 | N2 | S1 | 112.7° | 120.7° |
| N2 | C11 | H12 | 108.9° | 109.7° |
| C15 | C14 | N2 | 109.6° | 108.8° |
| C15 | C14 | H16 | 109.5° | 109.6° |
| C15 | C14 | H17 | 109.5° | 109.7° |
| C14 | C15 | H18 | 108.6° | 109.4° |
| C14 | C15 | H19 | 108.6° | 109.5° |
| C14 | N2 | S1 | 110.0° | 120.7° |
| N2 | C14 | H16 | 109.5° | 109.6° |
| N2 | C14 | H17 | 109.4° | 109.6° |
| N2 | S1 | O1 | 113.8° | 104.3° |
| N2 | S1 | O2 | 109.3° | 104.3° |
| N2 | S1 | C17 | 107.4° | 104.4° |
| O1 | S1 | O2 | 109.5° | 121.1° |
| O1 | S1 | C17 | 107.4° | 110.5° |
| O2 | S1 | C17 | 109.4° | 110.5° |
| S1 | C17 | C19 | 110.1° | 109.5° |
| S1 | C17 | H22 | 109.3° | 109.5° |
| S1 | C17 | H23 | 109.3° | 109.5° |
| C19 | C17 | H22 | 109.3° | 109.5° |
| C19 | C17 | H23 | 109.3° | 109.4° |
| C17 | C19 | H27 | 109.5° | 109.4° |
| C17 | C19 | H28 | 109.5° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.6° |
| H8 | C9 | H9 | 109.5° | 109.2° |
| H10 | C10 | H11 | 109.4° | 109.6° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.4° | 109.6° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H29 | 109.5° | 109.4° |
| H28 | C19 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | O3 | C5 | C4 | 0.6° | 180.0° |
| C18 | O3 | C5 | C6 | 179.9° | 0.2° |
| O3 | C18 | H24 | H25 | 120.0° | 120.0° |
| O3 | C18 | H24 | H26 | 120.0° | 120.0° |
| O3 | C18 | H25 | H26 | 120.0° | 120.1° |
| C8 | C9 | C3 | H8 | 120.5° | 120.2° |
| C8 | C9 | C3 | H9 | 120.5° | 120.2° |
| C8 | C9 | C3 | C4 | 159.9° | 163.5° |
| C9 | C8 | N1 | H6 | 119.7° | 119.8° |
| C9 | C8 | N1 | H7 | 119.7° | 119.9° |
| C8 | C9 | C3 | C2 | 26.0° | 17.0° |
| C9 | C8 | N1 | C13 | 178.5° | 165.1° |
| C9 | C8 | N1 | C7 | 67.1° | 70.9° |
| C9 | C8 | H6 | H7 | 120.8° | 120.5° |
| C8 | C9 | H8 | H9 | 118.5° | 119.7° |
| C9 | C3 | C4 | C2 | 174.0° | 179.6° |
| C9 | C3 | C4 | C5 | 177.7° | 179.3° |
| C3 | C9 | C8 | N1 | 59.6° | 50.1° |
| C9 | C3 | C2 | C7 | 5.7° | 0.8° |
| C9 | C3 | C2 | C1 | 178.5° | 179.2° |
| C9 | C3 | C4 | H3 | 2.4° | 0.7° |
| C3 | C9 | C8 | H6 | 60.1° | 169.9° |
| C3 | C9 | C8 | H7 | 179.3° | 69.8° |
| C3 | C9 | H8 | H9 | 118.5° | 119.7° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | O3 | 178.5° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.2° |
| C4 | C3 | C2 | C7 | 179.7° | 179.6° |
| C4 | C3 | C2 | C1 | 4.5° | 0.4° |
| C4 | C3 | C9 | H8 | 79.6° | 43.3° |
| C4 | C3 | C9 | H9 | 39.4° | 76.3° |
| C4 | C5 | O3 | C6 | 179.5° | 179.8° |
| C5 | C4 | C3 | C2 | 3.7° | 0.2° |
| C4 | C5 | C6 | C1 | 0.8° | 0.3° |
| C4 | C5 | C6 | H4 | 179.2° | 179.9° |
| O3 | C5 | C6 | C1 | 179.7° | 179.8° |
| O3 | C5 | C4 | H3 | 1.5° | 0.1° |
| O3 | C5 | C6 | H4 | 0.3° | 0.0° |
| C5 | O3 | C18 | H24 | 180.0° | 180.0° |
| C5 | O3 | C18 | H25 | 60.0° | 60.0° |
| C5 | O3 | C18 | H26 | 60.0° | 60.0° |
| C8 | N1 | C13 | C7 | 111.9° | 123.6° |
| C8 | N1 | C7 | C2 | 48.8° | 52.5° |
| C8 | N1 | C13 | C12 | 171.8° | 174.8° |
| C8 | N1 | C7 | C10 | 177.8° | 173.7° |
| C8 | N1 | C7 | H5 | 66.5° | 67.7° |
| N1 | C8 | H6 | H7 | 120.8° | 120.4° |
| N1 | C8 | C9 | H8 | 60.8° | 170.2° |
| N1 | C8 | C9 | H9 | 179.9° | 70.2° |
| C8 | N1 | C13 | H14 | 51.6° | 65.1° |
| C8 | N1 | C13 | H15 | 67.9° | 54.8° |
| C3 | C2 | C7 | N1 | 18.2° | 17.8° |
| C3 | C2 | C7 | C1 | 175.8° | 180.0° |
| C3 | C2 | C1 | C6 | 2.7° | 0.5° |
| C3 | C2 | C7 | C10 | 151.3° | 138.8° |
| C3 | C2 | C1 | H1 | 177.3° | 179.8° |
| C2 | C3 | C4 | H3 | 176.3° | 179.7° |
| C3 | C2 | C7 | H5 | 96.5° | 102.4° |
| C2 | C3 | C9 | H8 | 94.5° | 137.2° |
| C2 | C3 | C9 | H9 | 146.5° | 103.2° |
| C5 | C6 | C1 | C2 | 0.1° | 0.5° |
| C5 | C6 | C1 | H4 | 180.0° | 179.8° |
| C5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | C5 | C4 | H3 | 179.0° | 179.7° |
| C13 | N1 | C7 | C2 | 166.4° | 176.6° |
| N1 | C13 | C12 | H14 | 120.3° | 120.0° |
| N1 | C13 | C12 | H15 | 120.2° | 120.0° |
| C13 | N1 | C7 | C10 | 60.2° | 62.2° |
| N1 | C13 | C12 | C16 | 59.6° | 61.9° |
| N1 | C13 | C12 | C11 | 62.7° | 58.4° |
| C13 | N1 | C7 | H5 | 51.2° | 56.4° |
| C13 | N1 | C8 | H6 | 61.8° | 45.4° |
| C13 | N1 | C8 | H7 | 58.7° | 75.0° |
| N1 | C13 | C12 | H13 | 178.8° | 178.2° |
| N1 | C13 | H14 | H15 | 119.3° | 119.9° |
| N1 | C7 | C2 | C10 | 133.1° | 121.0° |
| N1 | C7 | C2 | H5 | 114.7° | 120.2° |
| N1 | C7 | C2 | C1 | 166.0° | 162.2° |
| C7 | N1 | C13 | C12 | 59.9° | 61.6° |
| N1 | C7 | C10 | H5 | 111.6° | 119.1° |
| N1 | C7 | C10 | C11 | 60.6° | 59.4° |
| C7 | N1 | C8 | H6 | 52.6° | 169.4° |
| C7 | N1 | C8 | H7 | 173.1° | 49.0° |
| N1 | C7 | C10 | H10 | 59.0° | 60.5° |
| N1 | C7 | C10 | H11 | 179.8° | 179.3° |
| C7 | N1 | C13 | H14 | 60.3° | 58.5° |
| C7 | N1 | C13 | H15 | 179.9° | 178.4° |
| C7 | C2 | C1 | C6 | 178.5° | 179.5° |
| C2 | C7 | C10 | H5 | 112.9° | 119.3° |
| C2 | C7 | C10 | C11 | 163.9° | 178.9° |
| C7 | C2 | C1 | H1 | 1.5° | 0.2° |
| C2 | C7 | C10 | H10 | 76.4° | 61.2° |
| C2 | C7 | C10 | H11 | 44.3° | 59.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C7 | C10 | 32.9° | 41.2° |
| C2 | C1 | C6 | H4 | 179.9° | 179.7° |
| C1 | C2 | C7 | H5 | 79.2° | 77.6° |
| C13 | C12 | C16 | C11 | 121.0° | 120.5° |
| C13 | C12 | C16 | H13 | 119.2° | 119.8° |
| C13 | C12 | C11 | H13 | 118.3° | 119.7° |
| C13 | C12 | C16 | C15 | 178.9° | 178.2° |
| C13 | C12 | C11 | C10 | 61.6° | 56.7° |
| C13 | C12 | C11 | N2 | 175.6° | 175.4° |
| C13 | C12 | C11 | H12 | 56.1° | 64.2° |
| C12 | C13 | H14 | H15 | 119.3° | 120.0° |
| C13 | C12 | C16 | H20 | 59.7° | 58.2° |
| C13 | C12 | C16 | H21 | 61.9° | 61.8° |
| C7 | C10 | C11 | C12 | 59.9° | 57.1° |
| C7 | C10 | C11 | H10 | 119.6° | 119.9° |
| C7 | C10 | C11 | H11 | 119.6° | 119.9° |
| C7 | C10 | C11 | N2 | 177.8° | 175.6° |
| C7 | C10 | H10 | H11 | 121.2° | 120.2° |
| C7 | C10 | C11 | H12 | 58.0° | 64.3° |
| C16 | C12 | C11 | H13 | 119.7° | 119.8° |
| C12 | C16 | C15 | H20 | 119.2° | 120.1° |
| C12 | C16 | C15 | H21 | 119.2° | 120.1° |
| C16 | C12 | C11 | C10 | 60.4° | 63.8° |
| C16 | C12 | C11 | N2 | 62.4° | 54.9° |
| C12 | C16 | C15 | C14 | 59.5° | 61.1° |
| C16 | C12 | C11 | H12 | 178.1° | 175.3° |
| C16 | C12 | C13 | H14 | 179.9° | 178.1° |
| C16 | C12 | C13 | H15 | 60.6° | 58.1° |
| C12 | C16 | C15 | H18 | 61.0° | 179.0° |
| C12 | C16 | C15 | H19 | 180.0° | 58.9° |
| C12 | C16 | H20 | H21 | 122.3° | 120.0° |
| C11 | C12 | C16 | C15 | 60.1° | 61.3° |
| C12 | C11 | C10 | N2 | 122.3° | 118.5° |
| C12 | C11 | C10 | H12 | 117.9° | 121.4° |
| C12 | C11 | N2 | H12 | 119.4° | 120.9° |
| C12 | C11 | N2 | C14 | 58.7° | 53.9° |
| C12 | C11 | N2 | S1 | 178.5° | 126.1° |
| C12 | C11 | C10 | H10 | 59.7° | 62.8° |
| C12 | C11 | C10 | H11 | 179.6° | 177.0° |
| C11 | C12 | C13 | H14 | 57.6° | 61.6° |
| C11 | C12 | C13 | H15 | 177.1° | 178.4° |
| C11 | C12 | C16 | H20 | 179.3° | 178.6° |
| C11 | C12 | C16 | H21 | 59.1° | 58.7° |
| C16 | C15 | C14 | H18 | 120.5° | 120.0° |
| C16 | C15 | C14 | H19 | 120.5° | 120.0° |
| C16 | C15 | C14 | N2 | 59.8° | 54.5° |
| C15 | C16 | C12 | H13 | 59.8° | 58.4° |
| C16 | C15 | C14 | H16 | 179.9° | 65.3° |
| C16 | C15 | C14 | H17 | 60.2° | 174.4° |
| C16 | C15 | H18 | H19 | 118.5° | 120.2° |
| C15 | C16 | H20 | H21 | 122.3° | 119.9° |
| C10 | C11 | N2 | H12 | 119.5° | 120.1° |
| C10 | C11 | N2 | C14 | 62.4° | 65.1° |
| C10 | C11 | N2 | S1 | 60.4° | 114.9° |
| C11 | C10 | C7 | H5 | 51.0° | 59.7° |
| C11 | C10 | H10 | H11 | 121.2° | 120.1° |
| C10 | C11 | C12 | H13 | 179.9° | 176.4° |
| C11 | N2 | C14 | C15 | 56.4° | 53.8° |
| C11 | N2 | C14 | S1 | 124.4° | 180.0° |
| C11 | N2 | S1 | O1 | 63.3° | 153.9° |
| C11 | N2 | S1 | O2 | 59.4° | 26.1° |
| C11 | N2 | S1 | C17 | 178.0° | 90.0° |
| N2 | C11 | C10 | H10 | 62.6° | 55.7° |
| N2 | C11 | C10 | H11 | 58.1° | 64.5° |
| N2 | C11 | C12 | H13 | 57.3° | 64.9° |
| C11 | N2 | C14 | H16 | 176.5° | 66.0° |
| C11 | N2 | C14 | H17 | 63.6° | 173.7° |
| C15 | C14 | N2 | H16 | 120.1° | 119.8° |
| C15 | C14 | N2 | H17 | 120.0° | 120.0° |
| C15 | C14 | N2 | S1 | 179.2° | 126.2° |
| C15 | C14 | H16 | H17 | 119.9° | 120.4° |
| C14 | C15 | H18 | H19 | 118.5° | 120.0° |
| C14 | C15 | C16 | H20 | 178.7° | 178.8° |
| C14 | C15 | C16 | H21 | 59.7° | 59.0° |
| C14 | N2 | S1 | O1 | 59.2° | 26.0° |
| C14 | N2 | S1 | O2 | 178.1° | 153.9° |
| C14 | N2 | S1 | C17 | 59.5° | 90.0° |
| C14 | N2 | C11 | H12 | 178.1° | 174.8° |
| N2 | C14 | H16 | H17 | 119.9° | 120.2° |
| N2 | C14 | C15 | H18 | 60.7° | 174.5° |
| N2 | C14 | C15 | H19 | 179.7° | 65.5° |
| N2 | S1 | O1 | O2 | 122.6° | 116.8° |
| N2 | S1 | O1 | C17 | 118.7° | 111.7° |
| N2 | S1 | O2 | C17 | 117.3° | 111.7° |
| N2 | S1 | C17 | C19 | 58.8° | 180.0° |
| S1 | N2 | C11 | H12 | 59.1° | 5.2° |
| S1 | N2 | C14 | H16 | 59.2° | 114.0° |
| S1 | N2 | C14 | H17 | 60.7° | 6.3° |
| N2 | S1 | C17 | H22 | 61.3° | 60.0° |
| N2 | S1 | C17 | H23 | 178.9° | 60.0° |
| O1 | S1 | O2 | C17 | 117.4° | 131.5° |
| O1 | S1 | C17 | C19 | 178.5° | 68.4° |
| O1 | S1 | C17 | H22 | 61.4° | 171.6° |
| O1 | S1 | C17 | H23 | 58.4° | 51.6° |
| O2 | S1 | C17 | C19 | 59.7° | 68.4° |
| O2 | S1 | C17 | H22 | 179.9° | 51.6° |
| O2 | S1 | C17 | H23 | 60.4° | 171.7° |
| S1 | C17 | C19 | H22 | 120.1° | 120.0° |
| S1 | C17 | C19 | H23 | 120.1° | 120.0° |
| S1 | C17 | H22 | H23 | 119.7° | 120.0° |
| S1 | C17 | C19 | H27 | 180.0° | 60.0° |
| S1 | C17 | C19 | H28 | 60.0° | 60.0° |
| S1 | C17 | C19 | H29 | 60.0° | 180.0° |
| C19 | C17 | H22 | H23 | 119.7° | 120.0° |
| C17 | C19 | H27 | H28 | 120.0° | 120.0° |
| C17 | C19 | H27 | H29 | 120.0° | 120.0° |
| C17 | C19 | H28 | H29 | 120.0° | 120.0° |
| H1 | C1 | C6 | H4 | 0.1° | 0.0° |
| H5 | C7 | C10 | H10 | 170.6° | 179.5° |
| H5 | C7 | C10 | H11 | 68.6° | 60.2° |
| H6 | C8 | C9 | H8 | 179.4° | 70.0° |
| H6 | C8 | C9 | H9 | 60.4° | 49.6° |
| H7 | C8 | C9 | H8 | 58.9° | 50.4° |
| H7 | C8 | C9 | H9 | 60.2° | 170.0° |
| H10 | C10 | C11 | H12 | 177.6° | 175.8° |
| H11 | C10 | C11 | H12 | 61.6° | 55.6° |
| H12 | C11 | C12 | H13 | 62.2° | 55.5° |
| H13 | C12 | C13 | H14 | 60.9° | 58.2° |
| H13 | C12 | C13 | H15 | 58.6° | 61.8° |
| H13 | C12 | C16 | H20 | 59.4° | 61.6° |
| H13 | C12 | C16 | H21 | 179.0° | 178.5° |
| H16 | C14 | C15 | H18 | 59.4° | 54.7° |
| H16 | C14 | C15 | H19 | 59.7° | 174.7° |
| H17 | C14 | C15 | H18 | 179.3° | 65.6° |
| H17 | C14 | C15 | H19 | 60.2° | 54.4° |
| H18 | C15 | C16 | H20 | 58.2° | 58.9° |
| H18 | C15 | C16 | H21 | 179.8° | 61.0° |
| H19 | C15 | C16 | H20 | 60.8° | 61.2° |
| H19 | C15 | C16 | H21 | 60.7° | 178.9° |
| H22 | C17 | C19 | H27 | 59.9° | 60.0° |
| H22 | C17 | C19 | H28 | 179.9° | 180.0° |
| H22 | C17 | C19 | H29 | 60.1° | 60.0° |
| H23 | C17 | C19 | H27 | 59.9° | NaN° |
| H23 | C17 | C19 | H28 | 60.1° | 60.0° |
| H23 | C17 | C19 | H29 | 179.9° | 60.1° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
