7SS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C12 | doub | 1.21Å | 1.25Å | |
| O1 | C12 | sing | 1.34Å | 1.26Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C13 | sing | 1.53Å | 1.50Å | |
| C23 | C13 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | N | sing | 1.46Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | O | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C | O | sing | 1.36Å | 1.35Å | |
| C | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| N | C6 | sing | 1.47Å | 1.46Å | |
| N | C14 | sing | 1.35Å | 1.29Å | |
| O3 | C14 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.48Å | 1.51Å | |
| C15 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.48Å | 1.50Å | |
| C21 | C25 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C29 | sing | 1.43Å | 1.43Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | 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 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O1 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C12 | O1 | 122.0° | 120.0° |
| O2 | C12 | C11 | 119.0° | 120.0° |
| O1 | C12 | C11 | 118.9° | 120.0° |
| C12 | O1 | H32 | 109.5° | 117.0° |
| C12 | C11 | C10 | 113.3° | 109.5° |
| C12 | C11 | H14 | 108.5° | 109.5° |
| C12 | C11 | H15 | 108.5° | 109.4° |
| C23 | C22 | C13 | 60.6° | 60.0° |
| C22 | C23 | C13 | 58.7° | 60.0° |
| C23 | C22 | H21 | 119.9° | 117.5° |
| C23 | C22 | H22 | 119.9° | 117.5° |
| C22 | C23 | H23 | 120.2° | 117.5° |
| C22 | C23 | H24 | 120.2° | 117.5° |
| C22 | C13 | C23 | 60.7° | 60.0° |
| C22 | C13 | N | 116.5° | 117.5° |
| C22 | C13 | H16 | 117.6° | 117.5° |
| C13 | C22 | H21 | 119.9° | 117.5° |
| C13 | C22 | H22 | 119.9° | 117.5° |
| C23 | C13 | N | 113.9° | 117.5° |
| C23 | C13 | H16 | 117.0° | 117.5° |
| C13 | C23 | H23 | 120.2° | 117.5° |
| C13 | C23 | H24 | 120.2° | 117.5° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C2 | C1 | C | 119.8° | 119.9° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C2 | C1 | H | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.2° | 120.1° |
| C2 | C3 | H2 | 120.4° | 119.9° |
| C3 | C2 | H1 | 119.7° | 120.0° |
| C1 | C | O | 122.3° | 120.0° |
| C1 | C | C5 | 121.0° | 119.9° |
| C | C1 | H | 120.1° | 120.0° |
| C11 | C10 | C9 | 113.1° | 109.4° |
| C11 | C10 | H13 | 108.5° | 109.5° |
| C11 | C10 | H12 | 108.5° | 109.5° |
| C10 | C11 | H14 | 108.5° | 109.5° |
| C10 | C11 | H15 | 108.5° | 109.5° |
| C13 | N | C6 | 119.6° | 120.0° |
| C13 | N | C14 | 113.7° | 120.0° |
| N | C13 | H16 | 118.3° | 115.5° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C3 | C4 | H3 | 119.8° | 120.0° |
| C4 | C3 | H2 | 120.4° | 120.0° |
| C10 | C9 | C8 | 105.9° | 109.5° |
| C9 | C10 | H13 | 108.5° | 109.5° |
| C9 | C10 | H12 | 108.6° | 109.5° |
| C10 | C9 | H11 | 110.4° | 109.5° |
| C10 | C9 | H10 | 110.3° | 109.5° |
| C9 | C8 | C7 | 111.3° | 109.5° |
| C9 | C8 | H8 | 109.0° | 109.5° |
| C9 | C8 | H9 | 109.0° | 109.5° |
| C8 | C9 | H11 | 110.3° | 109.4° |
| C8 | C9 | H10 | 110.4° | 109.5° |
| O | C7 | C8 | 109.0° | 109.5° |
| C7 | O | C | 118.9° | 117.0° |
| O | C7 | H6 | 109.6° | 109.5° |
| O | C7 | H7 | 109.6° | 109.5° |
| C8 | C7 | H6 | 109.6° | 109.5° |
| C8 | C7 | H7 | 109.6° | 109.4° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C8 | H9 | 109.0° | 109.5° |
| O | C | C5 | 116.8° | 120.1° |
| C | C5 | C4 | 119.0° | 119.9° |
| C | C5 | C6 | 118.8° | 120.0° |
| C4 | C5 | C6 | 122.1° | 120.0° |
| C5 | C4 | H3 | 119.8° | 119.9° |
| C5 | C6 | N | 111.7° | 109.5° |
| C5 | C6 | H5 | 108.9° | 109.5° |
| C5 | C6 | H4 | 108.9° | 109.5° |
| C6 | N | C14 | 126.7° | 120.0° |
| N | C6 | H5 | 108.9° | 109.4° |
| N | C6 | H4 | 108.9° | 109.5° |
| N | C14 | O3 | 120.0° | 120.0° |
| N | C14 | C15 | 124.7° | 120.0° |
| O3 | C14 | C15 | 115.3° | 120.0° |
| C14 | C15 | C17 | 123.3° | 120.0° |
| C14 | C15 | C16 | 115.1° | 120.0° |
| C17 | C15 | C16 | 121.4° | 120.0° |
| C15 | C17 | C18 | 119.0° | 119.9° |
| C15 | C17 | H18 | 120.5° | 120.0° |
| C15 | C16 | C20 | 120.9° | 120.0° |
| C15 | C16 | H17 | 119.5° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H18 | 120.5° | 120.0° |
| C17 | C18 | H19 | 119.9° | 120.0° |
| C16 | C20 | C19 | 118.2° | 120.0° |
| C16 | C20 | H20 | 120.9° | 120.0° |
| C20 | C16 | H17 | 119.6° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C18 | C19 | C21 | 120.9° | 120.0° |
| C19 | C18 | H19 | 120.0° | 120.0° |
| C20 | C19 | C21 | 118.6° | 120.0° |
| C19 | C20 | H20 | 120.9° | 120.0° |
| C19 | C21 | C25 | 122.2° | 120.1° |
| C19 | C21 | C24 | 118.4° | 120.1° |
| C25 | C21 | C24 | 118.8° | 119.8° |
| C21 | C25 | C26 | 121.0° | 120.0° |
| C21 | C25 | H26 | 119.5° | 120.0° |
| C21 | C24 | C28 | 120.0° | 120.0° |
| C21 | C24 | H25 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.5° | 120.0° |
| C25 | C26 | H27 | 119.7° | 120.0° |
| C26 | C25 | H26 | 119.5° | 120.0° |
| C24 | C28 | C27 | 120.1° | 120.0° |
| C28 | C24 | H25 | 120.0° | 120.0° |
| C24 | C28 | H28 | 119.9° | 120.0° |
| C26 | C27 | C28 | 119.4° | 120.2° |
| C26 | C27 | O4 | 120.1° | 119.9° |
| C27 | C26 | H27 | 119.8° | 120.0° |
| C28 | C27 | O4 | 120.6° | 119.9° |
| C27 | C28 | H28 | 120.0° | 119.9° |
| C27 | O4 | C29 | 118.8° | 117.0° |
| O4 | C29 | H31 | 109.5° | 109.5° |
| O4 | C29 | H30 | 109.5° | 109.5° |
| O4 | C29 | H29 | 109.4° | 109.5° |
| H5 | C6 | H4 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H13 | C10 | H12 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.4° | 115.6° |
| H31 | C29 | H30 | 109.5° | 109.4° |
| H31 | C29 | H29 | 109.5° | 109.4° |
| H30 | C29 | H29 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 115.5° |
| H11 | C9 | H10 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C12 | O1 | C11 | 177.5° | 179.9° |
| O2 | C12 | C11 | C10 | 33.4° | 5.2° |
| O2 | C12 | C11 | H14 | 154.0° | 114.9° |
| O2 | C12 | C11 | H15 | 87.1° | 125.1° |
| O2 | C12 | O1 | H32 | 0.0° | 0.1° |
| O1 | C12 | C11 | C10 | 149.0° | 174.9° |
| O1 | C12 | C11 | H14 | 28.4° | 65.0° |
| O1 | C12 | C11 | H15 | 90.4° | 55.0° |
| C12 | C11 | C10 | H14 | 120.6° | 120.1° |
| C12 | C11 | C10 | H15 | 120.6° | 119.9° |
| C12 | C11 | C10 | C9 | 82.3° | 175.3° |
| C12 | C11 | C10 | H13 | 157.2° | 64.7° |
| C12 | C11 | C10 | H12 | 38.3° | 55.3° |
| C12 | C11 | H14 | H15 | 118.3° | 120.0° |
| C11 | C12 | O1 | H32 | 177.5° | 180.0° |
| C23 | C22 | C13 | H21 | 109.6° | 107.5° |
| C23 | C22 | C13 | H22 | 109.6° | 107.5° |
| C22 | C23 | C13 | H23 | 109.1° | 107.5° |
| C22 | C23 | C13 | H24 | 109.1° | 107.5° |
| C23 | C22 | C13 | N | 103.9° | 107.5° |
| C23 | C22 | C13 | H16 | 107.1° | 107.5° |
| C23 | C22 | H21 | H22 | 144.4° | 145.6° |
| C22 | C23 | H23 | H24 | 145.4° | 145.7° |
| C22 | C13 | N | H16 | 148.8° | 145.6° |
| C22 | C13 | N | C6 | 9.8° | 129.3° |
| C22 | C13 | N | C14 | 170.9° | 50.7° |
| C13 | C22 | H21 | H22 | 144.4° | 145.7° |
| C23 | C13 | N | H16 | 143.3° | 145.7° |
| C23 | C13 | N | C6 | 77.7° | 162.0° |
| C23 | C13 | N | C14 | 103.0° | 17.9° |
| C13 | C23 | H23 | H24 | 145.5° | 145.7° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C2 | C1 | C | H | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C2 | C1 | C | O | 177.6° | 180.0° |
| C2 | C1 | C | C5 | 3.4° | 0.6° |
| C1 | C2 | C3 | H2 | 179.1° | 179.9° |
| C3 | C2 | C1 | C | 1.9° | 0.3° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.2° | 0.1° |
| C2 | C3 | C4 | H3 | 178.8° | 179.7° |
| C3 | C2 | C1 | H | 178.1° | 180.0° |
| C1 | C | O | C7 | 2.8° | 19.8° |
| C1 | C | O | C5 | 179.0° | 179.5° |
| C1 | C | C5 | C4 | 3.7° | 0.5° |
| C1 | C | C5 | C6 | 179.4° | 179.4° |
| C | C1 | C2 | H1 | 178.0° | 180.0° |
| C11 | C10 | C9 | H13 | 120.5° | 120.0° |
| C11 | C10 | C9 | H12 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 172.7° | 175.3° |
| C11 | C10 | H13 | H12 | 118.3° | 120.0° |
| C11 | C10 | C9 | H11 | 67.9° | 64.7° |
| C11 | C10 | C9 | H10 | 53.2° | 55.3° |
| C10 | C11 | H14 | H15 | 118.3° | 120.0° |
| C13 | N | C6 | C5 | 70.6° | 55.1° |
| C13 | N | C6 | C14 | 179.1° | 179.9° |
| C13 | N | C14 | O3 | 0.1° | 1.1° |
| C13 | N | C14 | C15 | 178.5° | 178.9° |
| C13 | N | C6 | H5 | 49.8° | 64.9° |
| C13 | N | C6 | H4 | 169.1° | 175.2° |
| N | C13 | C22 | H21 | 5.7° | 145.0° |
| N | C13 | C22 | H22 | 146.5° | 0.1° |
| N | C13 | C23 | H23 | 142.7° | 0.0° |
| N | C13 | C23 | H24 | 0.9° | 145.0° |
| C3 | C4 | C5 | C | 2.6° | 0.2° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 178.2° | 179.7° |
| C4 | C3 | C2 | H1 | 179.1° | 179.7° |
| C10 | C9 | C8 | H11 | 119.4° | 120.0° |
| C10 | C9 | C8 | H10 | 119.4° | 120.1° |
| C10 | C9 | C8 | C7 | 157.6° | 175.2° |
| C10 | C9 | C8 | H8 | 82.1° | 64.8° |
| C10 | C9 | C8 | H9 | 37.3° | 55.2° |
| C9 | C10 | H13 | H12 | 118.3° | 120.0° |
| C10 | C9 | H11 | H10 | 121.6° | 120.1° |
| C9 | C10 | C11 | H14 | 38.3° | 55.2° |
| C9 | C10 | C11 | H15 | 157.2° | 64.8° |
| C9 | C8 | C7 | O | 55.3° | 177.2° |
| C9 | C8 | C7 | H8 | 120.3° | 120.0° |
| C9 | C8 | C7 | H9 | 120.3° | 120.0° |
| C9 | C8 | C7 | H6 | 64.6° | 62.8° |
| C9 | C8 | C7 | H7 | 175.2° | 57.2° |
| C9 | C8 | H8 | H9 | 119.2° | 120.0° |
| C8 | C9 | C10 | H13 | 52.1° | 55.3° |
| C8 | C9 | C10 | H12 | 66.8° | 64.7° |
| C8 | C9 | H11 | H10 | 121.7° | 120.0° |
| O | C7 | C8 | H6 | 119.9° | 120.0° |
| O | C7 | C8 | H7 | 119.9° | 120.0° |
| C7 | O | C | C5 | 178.2° | 159.7° |
| O | C7 | H6 | H7 | 120.2° | 120.0° |
| O | C7 | C8 | H8 | 65.0° | 62.8° |
| O | C7 | C8 | H9 | 175.6° | 57.2° |
| C8 | C7 | O | C | 170.2° | 104.4° |
| C8 | C7 | H6 | H7 | 120.2° | 120.0° |
| C7 | C8 | H8 | H9 | 119.2° | 120.0° |
| C7 | C8 | C9 | H11 | 38.2° | 55.2° |
| C7 | C8 | C9 | H10 | 83.0° | 64.7° |
| O | C | C5 | C4 | 177.3° | 180.0° |
| O | C | C5 | C6 | 1.6° | 0.1° |
| C | O | C7 | H6 | 69.8° | 15.6° |
| C | O | C7 | H7 | 50.3° | 135.7° |
| O | C | C1 | H | 2.3° | 0.2° |
| C | C5 | C4 | C6 | 175.6° | 180.0° |
| C | C5 | C6 | N | 157.1° | 179.1° |
| C | C5 | C4 | H3 | 177.5° | 180.0° |
| C | C5 | C6 | H5 | 36.8° | 59.1° |
| C | C5 | C6 | H4 | 82.6° | 60.9° |
| C5 | C | C1 | H | 176.6° | 179.7° |
| C4 | C5 | C6 | N | 27.3° | 0.9° |
| C4 | C5 | C6 | H5 | 147.6° | 120.9° |
| C4 | C5 | C6 | H4 | 93.0° | 119.1° |
| C5 | C4 | C3 | H2 | 178.8° | 180.0° |
| C5 | C6 | N | H5 | 120.3° | 120.0° |
| C5 | C6 | N | H4 | 120.4° | 120.0° |
| C5 | C6 | N | C14 | 108.6° | 124.8° |
| C6 | C5 | C4 | H3 | 1.9° | 0.0° |
| C5 | C6 | H5 | H4 | 119.0° | 120.0° |
| C6 | N | C14 | O3 | 179.3° | 178.9° |
| C6 | N | C14 | C15 | 0.6° | 1.2° |
| N | C6 | H5 | H4 | 119.0° | 119.9° |
| C6 | N | C13 | H16 | 139.0° | 16.3° |
| N | C14 | O3 | C15 | 178.8° | 179.9° |
| N | C14 | C15 | C17 | 63.9° | 39.9° |
| N | C14 | C15 | C16 | 121.1° | 140.4° |
| C14 | N | C6 | H5 | 131.1° | 115.2° |
| C14 | N | C6 | H4 | 11.8° | 4.8° |
| C14 | N | C13 | H16 | 40.3° | 163.6° |
| O3 | C14 | C15 | C17 | 114.8° | 140.0° |
| O3 | C14 | C15 | C16 | 60.2° | 39.7° |
| C14 | C15 | C17 | C16 | 174.8° | 179.7° |
| C14 | C15 | C17 | C18 | 176.6° | 179.7° |
| C14 | C15 | C16 | C20 | 177.6° | 179.7° |
| C14 | C15 | C17 | H18 | 3.4° | 0.3° |
| C14 | C15 | C16 | H17 | 2.4° | 0.3° |
| C15 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C15 | C16 | C20 | 2.4° | 0.0° |
| C15 | C17 | C18 | C19 | 0.2° | 0.0° |
| C15 | C17 | C18 | H19 | 179.8° | 180.0° |
| C17 | C15 | C16 | H17 | 177.6° | 180.0° |
| C16 | C15 | C17 | C18 | 1.9° | 0.0° |
| C15 | C16 | C20 | H17 | 180.0° | 180.0° |
| C15 | C16 | C20 | C19 | 1.3° | 0.0° |
| C16 | C15 | C17 | H18 | 178.1° | 180.0° |
| C15 | C16 | C20 | H20 | 178.7° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.9° | 0.0° |
| C17 | C18 | C19 | C21 | 175.0° | 180.0° |
| C16 | C20 | C19 | C18 | 0.4° | 0.0° |
| C16 | C20 | C19 | H20 | 180.0° | 179.9° |
| C16 | C20 | C19 | C21 | 174.6° | 180.0° |
| C18 | C19 | C20 | C21 | 174.2° | 180.0° |
| C18 | C19 | C21 | C25 | 15.8° | 5.5° |
| C18 | C19 | C21 | C24 | 155.3° | 174.8° |
| C19 | C18 | C17 | H18 | 179.8° | 180.0° |
| C18 | C19 | C20 | H20 | 179.6° | 180.0° |
| C20 | C19 | C21 | C25 | 170.0° | 174.5° |
| C20 | C19 | C21 | C24 | 18.9° | 5.2° |
| C20 | C19 | C18 | H19 | 179.1° | 180.0° |
| C19 | C20 | C16 | H17 | 178.7° | 180.0° |
| C19 | C21 | C25 | C24 | 171.1° | 179.7° |
| C19 | C21 | C25 | C26 | 176.1° | 179.7° |
| C19 | C21 | C24 | C28 | 177.1° | 179.7° |
| C21 | C19 | C20 | H20 | 5.4° | 0.1° |
| C19 | C21 | C24 | H25 | 2.9° | 0.3° |
| C21 | C19 | C18 | H19 | 5.1° | 0.0° |
| C19 | C21 | C25 | H26 | 3.9° | 0.3° |
| C21 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C21 | C24 | C28 | 5.6° | 0.0° |
| C21 | C25 | C26 | C27 | 1.9° | 0.0° |
| C25 | C21 | C24 | H25 | 174.4° | 180.0° |
| C21 | C25 | C26 | H27 | 178.1° | 180.0° |
| C24 | C21 | C25 | C26 | 5.0° | 0.0° |
| C21 | C24 | C28 | H25 | 180.0° | 180.0° |
| C21 | C24 | C28 | C27 | 3.3° | 0.0° |
| C21 | C24 | C28 | H28 | 176.7° | 180.0° |
| C24 | C21 | C25 | H26 | 175.0° | 180.0° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C25 | C26 | C27 | O4 | 179.2° | 180.0° |
| C24 | C28 | C27 | C26 | 0.2° | 0.0° |
| C24 | C28 | C27 | H28 | 180.0° | 179.9° |
| C24 | C28 | C27 | O4 | 179.9° | 180.0° |
| C26 | C27 | C28 | O4 | 179.7° | 180.0° |
| C26 | C27 | O4 | C29 | 177.8° | 180.0° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C26 | C25 | H26 | 178.1° | 180.0° |
| C28 | C27 | O4 | C29 | 1.9° | 0.0° |
| C27 | C28 | C24 | H25 | 176.7° | 180.0° |
| C28 | C27 | C26 | H27 | 179.5° | 180.0° |
| O4 | C27 | C26 | H27 | 0.8° | 0.0° |
| O4 | C27 | C28 | H28 | 0.1° | 0.0° |
| C27 | O4 | C29 | H31 | 180.0° | 60.0° |
| C27 | O4 | C29 | H30 | 60.0° | 60.0° |
| C27 | O4 | C29 | H29 | 60.0° | 180.0° |
| O4 | C29 | H31 | H30 | 120.0° | 120.0° |
| O4 | C29 | H31 | H29 | 120.0° | 120.0° |
| O4 | C29 | H30 | H29 | 120.0° | 120.1° |
| H3 | C4 | C3 | H2 | 1.2° | 0.2° |
| H6 | C7 | C8 | H8 | 175.1° | 57.2° |
| H6 | C7 | C8 | H9 | 55.7° | 177.2° |
| H7 | C7 | C8 | H8 | 55.0° | 177.2° |
| H7 | C7 | C8 | H9 | 64.5° | 62.8° |
| H8 | C8 | C9 | H11 | 158.4° | 175.2° |
| H8 | C8 | C9 | H10 | 37.3° | 55.3° |
| H9 | C8 | C9 | H11 | 82.1° | 64.8° |
| H9 | C8 | C9 | H10 | 156.7° | 175.3° |
| H13 | C10 | C9 | H11 | 171.5° | 175.3° |
| H13 | C10 | C9 | H10 | 67.3° | 64.7° |
| H13 | C10 | C11 | H14 | 82.2° | 175.2° |
| H13 | C10 | C11 | H15 | 36.7° | 55.2° |
| H12 | C10 | C9 | H11 | 52.6° | 55.2° |
| H12 | C10 | C9 | H10 | 173.8° | 175.3° |
| H12 | C10 | C11 | H14 | 158.9° | 64.8° |
| H12 | C10 | C11 | H15 | 82.3° | 175.2° |
| H16 | C13 | C22 | H21 | 143.3° | 0.1° |
| H16 | C13 | C22 | H22 | 2.5° | 145.0° |
| H16 | C13 | C23 | H23 | 1.1° | 145.0° |
| H16 | C13 | C23 | H24 | 142.9° | 0.0° |
| H18 | C17 | C18 | H19 | 0.3° | 0.0° |
| H20 | C20 | C16 | H17 | 1.3° | 0.0° |
| H21 | C22 | C23 | H23 | 141.3° | 145.0° |
| H21 | C22 | C23 | H24 | 0.5° | 0.0° |
| H22 | C22 | C23 | H23 | 0.5° | 0.0° |
| H22 | C22 | C23 | H24 | 141.2° | 145.0° |
| H25 | C24 | C28 | H28 | 3.3° | 0.0° |
| H27 | C26 | C25 | H26 | 1.9° | 0.0° |
| H31 | C29 | H30 | H29 | 120.0° | 120.0° |
| H2 | C3 | C2 | H1 | 0.9° | 0.2° |
| H1 | C2 | C1 | H | 1.9° | 0.3° |
