A1EC3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| O6 | C23 | doub | 1.22Å | 1.25Å | |
| C23 | C22 | sing | 1.47Å | 1.53Å | |
| C23 | O7 | sing | 1.35Å | 1.25Å | |
| C24 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C24 | O8 | sing | 1.34Å | 1.30Å | Aromatic |
| C22 | C21 | sing | 1.47Å | 1.43Å | Aromatic |
| O8 | C20 | sing | 1.34Å | 1.29Å | Aromatic |
| C21 | C20 | doub | 1.34Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C12 | sing | 1.46Å | 1.45Å | |
| N1 | C11 | sing | 1.35Å | 1.45Å | |
| O9 | C11 | doub | 1.21Å | 1.17Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| C13 | C14 | doub | 1.34Å | 1.39Å | Aromatic |
| C13 | O5 | sing | 1.34Å | 1.30Å | Aromatic |
| C14 | C15 | sing | 1.47Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O2 | sing | 1.43Å | 1.39Å | |
| C10 | C26 | sing | 1.53Å | 1.54Å | |
| O5 | C17 | sing | 1.34Å | 1.30Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.52Å | |
| C15 | C17 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | O3 | doub | 1.22Å | 1.24Å | |
| C16 | O4 | sing | 1.35Å | 1.26Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C26 | C7 | sing | 1.51Å | 1.47Å | |
| O2 | C8 | sing | 1.36Å | 1.45Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C2 | sing | 1.43Å | 1.40Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| O7 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C22 | 126.0° | 125.8° |
| C25 | C24 | O8 | 124.6° | 125.8° |
| C24 | C25 | H21 | 109.5° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| O6 | C23 | C22 | 120.7° | 120.0° |
| O6 | C23 | O7 | 120.1° | 120.0° |
| C22 | C23 | O7 | 119.3° | 120.0° |
| C23 | C22 | C24 | 128.9° | 127.2° |
| C23 | C22 | C21 | 126.1° | 127.2° |
| C23 | O7 | H27 | 109.5° | 117.0° |
| C22 | C24 | O8 | 109.4° | 108.4° |
| C24 | C22 | C21 | 105.0° | 105.6° |
| C24 | O8 | C20 | 111.0° | 110.9° |
| C22 | C21 | C20 | 104.6° | 106.0° |
| C22 | C21 | H5 | 127.7° | 127.0° |
| O8 | C20 | C21 | 109.9° | 109.1° |
| O8 | C20 | C19 | 125.9° | 125.5° |
| C21 | C20 | C19 | 124.1° | 125.4° |
| C20 | C21 | H5 | 127.7° | 127.0° |
| C20 | C19 | N1 | 107.6° | 109.4° |
| C20 | C19 | H17 | 109.9° | 109.5° |
| C20 | C19 | H18 | 109.9° | 109.4° |
| C19 | N1 | C12 | 120.3° | 120.0° |
| C19 | N1 | C11 | 116.0° | 120.0° |
| N1 | C19 | H17 | 109.9° | 109.5° |
| N1 | C19 | H18 | 109.9° | 109.5° |
| C12 | N1 | C11 | 123.6° | 120.0° |
| N1 | C12 | C13 | 117.0° | 109.5° |
| N1 | C12 | H11 | 107.6° | 109.5° |
| N1 | C12 | H12 | 107.6° | 109.5° |
| N1 | C11 | O9 | 118.0° | 120.0° |
| N1 | C11 | C10 | 125.3° | 120.0° |
| O9 | C11 | C10 | 116.7° | 120.0° |
| C12 | C13 | C14 | 126.3° | 125.4° |
| C12 | C13 | O5 | 124.3° | 125.4° |
| C13 | C12 | H11 | 107.6° | 109.5° |
| C13 | C12 | H12 | 107.6° | 109.5° |
| C11 | C10 | C9 | 119.3° | 109.7° |
| C11 | C10 | C26 | 116.9° | 109.7° |
| C11 | C10 | H4 | 101.2° | 109.7° |
| C14 | C13 | O5 | 109.4° | 109.2° |
| C13 | C14 | C15 | 104.7° | 105.9° |
| C13 | C14 | H13 | 127.6° | 127.0° |
| C13 | O5 | C17 | 111.7° | 110.9° |
| C14 | C15 | C16 | 125.1° | 127.2° |
| C14 | C15 | C17 | 105.2° | 105.6° |
| C15 | C14 | H13 | 127.7° | 127.0° |
| C10 | C9 | O2 | 111.4° | 108.4° |
| C9 | C10 | C26 | 112.4° | 108.3° |
| C9 | C10 | H4 | 101.6° | 109.7° |
| C10 | C9 | H24 | 108.9° | 109.7° |
| C10 | C9 | H25 | 109.0° | 109.7° |
| C9 | O2 | C8 | 115.1° | 117.8° |
| O2 | C9 | H24 | 109.0° | 109.7° |
| O2 | C9 | H25 | 109.0° | 109.6° |
| C10 | C26 | C7 | 117.1° | 109.7° |
| C26 | C10 | H4 | 101.3° | 109.7° |
| C10 | C26 | H6 | 107.5° | 109.4° |
| C10 | C26 | H7 | 107.5° | 109.5° |
| O5 | C17 | C15 | 109.1° | 108.4° |
| O5 | C17 | C18 | 124.7° | 125.8° |
| C16 | C15 | C17 | 129.7° | 127.2° |
| C15 | C16 | O3 | 116.8° | 120.0° |
| C15 | C16 | O4 | 121.4° | 120.0° |
| C15 | C17 | C18 | 126.2° | 125.8° |
| O3 | C16 | O4 | 121.7° | 120.0° |
| C16 | O4 | H26 | 109.5° | 117.1° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| C17 | C18 | H15 | 109.5° | 109.4° |
| C17 | C18 | H16 | 109.5° | 109.4° |
| C26 | C7 | C8 | 119.2° | 121.4° |
| C26 | C7 | C6 | 118.1° | 118.7° |
| C7 | C26 | H6 | 107.5° | 109.4° |
| C7 | C26 | H7 | 107.5° | 109.4° |
| O2 | C8 | C7 | 120.4° | 121.8° |
| O2 | C8 | C5 | 121.7° | 118.4° |
| C8 | C7 | C6 | 122.7° | 119.9° |
| C7 | C8 | C5 | 117.9° | 119.8° |
| C7 | C6 | C3 | 119.6° | 120.3° |
| C7 | C6 | H3 | 120.2° | 119.8° |
| C8 | C5 | C4 | 119.6° | 120.3° |
| C8 | C5 | H2 | 120.2° | 119.8° |
| C6 | C3 | C4 | 119.0° | 119.8° |
| C6 | C3 | O1 | 118.7° | 120.1° |
| C3 | C6 | H3 | 120.2° | 119.9° |
| C5 | C4 | C3 | 121.1° | 119.9° |
| C5 | C4 | H1 | 119.4° | 120.0° |
| C4 | C5 | H2 | 120.2° | 119.9° |
| C4 | C3 | O1 | 122.3° | 120.1° |
| C3 | C4 | H1 | 119.4° | 120.0° |
| C3 | O1 | C2 | 114.3° | 117.0° |
| C1 | C2 | O1 | 111.4° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C1 | C2 | H19 | 109.0° | 109.4° |
| C1 | C2 | H20 | 109.0° | 109.4° |
| O1 | C2 | H19 | 109.0° | 109.5° |
| O1 | C2 | H20 | 109.0° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H8 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.4° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H14 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.4° |
| H19 | C2 | H20 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.4° | 109.4° |
| H21 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C22 | C23 | 1.1° | 0.0° |
| C25 | C24 | C22 | O8 | 179.1° | 179.7° |
| C25 | C24 | C22 | C21 | 179.4° | 180.0° |
| C25 | C24 | O8 | C20 | 179.7° | 179.9° |
| C24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C24 | C25 | H21 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| O6 | C23 | C22 | O7 | 178.4° | 179.9° |
| O6 | C23 | C22 | C24 | 16.0° | 0.1° |
| O6 | C23 | C22 | C21 | 163.3° | 179.9° |
| O6 | C23 | O7 | H27 | 0.0° | 0.0° |
| C23 | C22 | C24 | C21 | 179.4° | 180.0° |
| C23 | C22 | C24 | O8 | 179.8° | 179.7° |
| C23 | C22 | C21 | C20 | 179.4° | 180.0° |
| C23 | C22 | C21 | H5 | 0.5° | 0.1° |
| C22 | C23 | O7 | H27 | 178.4° | 180.0° |
| O7 | C23 | C22 | C24 | 165.6° | 180.0° |
| O7 | C23 | C22 | C21 | 15.1° | 0.0° |
| C22 | C24 | O8 | C20 | 0.6° | 0.4° |
| C24 | C22 | C21 | C20 | 0.0° | 0.0° |
| C24 | C22 | C21 | H5 | 180.0° | 179.9° |
| C22 | C24 | C25 | H21 | 178.9° | 90.0° |
| C22 | C24 | C25 | H22 | 61.1° | 150.0° |
| C22 | C24 | C25 | H23 | 59.0° | 30.0° |
| O8 | C24 | C22 | C21 | 0.3° | 0.2° |
| C24 | O8 | C20 | C21 | 0.7° | 0.4° |
| C24 | O8 | C20 | C19 | 179.9° | 179.8° |
| O8 | C24 | C25 | H21 | 0.0° | 90.3° |
| O8 | C24 | C25 | H22 | 120.0° | 29.7° |
| O8 | C24 | C25 | H23 | 120.0° | 149.7° |
| C22 | C21 | C20 | O8 | 0.4° | 0.2° |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 179.7° | 180.0° |
| O8 | C20 | C21 | C19 | 179.3° | 179.8° |
| O8 | C20 | C19 | N1 | 139.8° | 85.2° |
| O8 | C20 | C21 | H5 | 179.6° | 179.7° |
| O8 | C20 | C19 | H17 | 100.5° | 154.8° |
| O8 | C20 | C19 | H18 | 20.2° | 34.8° |
| C21 | C20 | C19 | N1 | 39.3° | 94.6° |
| C21 | C20 | C19 | H17 | 80.4° | 25.5° |
| C21 | C20 | C19 | H18 | 159.0° | 145.4° |
| C20 | C19 | N1 | H17 | 119.7° | 120.0° |
| C20 | C19 | N1 | H18 | 119.7° | 119.9° |
| C20 | C19 | N1 | C12 | 94.1° | 96.1° |
| C20 | C19 | N1 | C11 | 82.5° | 83.7° |
| C19 | C20 | C21 | H5 | 0.3° | 0.1° |
| C20 | C19 | H17 | H18 | 120.9° | 119.9° |
| C19 | N1 | C12 | C11 | 176.3° | 179.8° |
| C19 | N1 | C11 | O9 | 2.2° | 4.5° |
| C19 | N1 | C12 | C13 | 79.6° | 93.6° |
| C19 | N1 | C11 | C10 | 179.6° | 175.6° |
| C19 | N1 | C12 | H11 | 159.3° | 26.5° |
| C19 | N1 | C12 | H12 | 41.5° | 146.4° |
| N1 | C19 | H17 | H18 | 120.9° | 120.0° |
| C12 | N1 | C11 | O9 | 178.6° | 175.3° |
| N1 | C12 | C13 | H11 | 121.1° | 120.0° |
| N1 | C12 | C13 | H12 | 121.1° | 120.0° |
| C12 | N1 | C11 | C10 | 4.0° | 4.6° |
| N1 | C12 | C13 | C14 | 15.4° | 90.0° |
| N1 | C12 | C13 | O5 | 165.3° | 90.3° |
| N1 | C12 | H11 | H12 | 116.6° | 120.0° |
| C12 | N1 | C19 | H17 | 25.6° | 143.9° |
| C12 | N1 | C19 | H18 | 146.2° | 23.9° |
| N1 | C11 | O9 | C10 | 177.6° | 179.9° |
| C11 | N1 | C12 | C13 | 104.1° | 86.2° |
| N1 | C11 | C10 | C9 | 113.9° | 67.1° |
| N1 | C11 | C10 | C26 | 27.0° | 174.0° |
| N1 | C11 | C10 | H4 | 135.9° | 53.4° |
| C11 | N1 | C12 | H11 | 17.0° | 153.7° |
| C11 | N1 | C12 | H12 | 134.8° | 33.8° |
| C11 | N1 | C19 | H17 | 157.8° | 36.3° |
| C11 | N1 | C19 | H18 | 37.2° | 156.3° |
| O9 | C11 | C10 | C9 | 68.7° | 113.0° |
| O9 | C11 | C10 | C26 | 150.4° | 5.9° |
| O9 | C11 | C10 | H4 | 41.5° | 126.5° |
| C12 | C13 | C14 | O5 | 179.4° | 179.7° |
| C12 | C13 | C14 | C15 | 178.6° | 179.8° |
| C12 | C13 | O5 | C17 | 178.2° | 179.8° |
| C13 | C12 | H11 | H12 | 116.6° | 120.0° |
| C12 | C13 | C14 | H13 | 1.4° | 0.3° |
| C11 | C10 | C9 | C26 | 142.6° | 119.7° |
| C11 | C10 | C9 | H4 | 110.0° | 120.6° |
| C11 | C10 | C9 | O2 | 167.5° | 175.6° |
| C11 | C10 | C26 | H4 | 108.8° | 120.5° |
| C11 | C10 | C26 | C7 | 162.9° | 167.9° |
| C11 | C10 | C26 | H6 | 41.8° | 72.0° |
| C11 | C10 | C26 | H7 | 76.0° | 47.9° |
| C11 | C10 | C9 | H24 | 47.2° | 55.9° |
| C11 | C10 | C9 | H25 | 72.2° | 64.7° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C14 | C13 | O5 | C17 | 1.2° | 0.0° |
| C13 | C14 | C15 | C16 | 179.3° | 180.0° |
| C13 | C14 | C15 | C17 | 0.2° | 0.0° |
| C14 | C13 | C12 | H11 | 136.5° | 30.0° |
| C14 | C13 | C12 | H12 | 105.7° | 150.0° |
| O5 | C13 | C14 | C15 | 0.8° | 0.0° |
| C13 | O5 | C17 | C15 | 1.1° | 0.0° |
| C13 | O5 | C17 | C18 | 179.4° | 180.0° |
| O5 | C13 | C12 | H11 | 44.2° | 149.7° |
| O5 | C13 | C12 | H12 | 73.6° | 29.7° |
| O5 | C13 | C14 | H13 | 179.2° | 180.0° |
| C14 | C15 | C17 | O5 | 0.5° | 0.0° |
| C14 | C15 | C16 | C17 | 179.4° | 179.9° |
| C14 | C15 | C16 | O3 | 31.0° | 179.9° |
| C14 | C15 | C16 | O4 | 145.9° | 0.1° |
| C14 | C15 | C17 | C18 | 180.0° | 179.9° |
| C10 | C9 | O2 | H24 | 120.3° | 119.8° |
| C10 | C9 | O2 | H25 | 120.3° | 119.7° |
| C9 | C10 | C26 | H4 | 107.7° | 119.7° |
| C9 | C10 | C26 | C7 | 19.4° | 48.2° |
| C10 | C9 | O2 | C8 | 56.8° | 49.2° |
| C9 | C10 | C26 | H6 | 101.7° | 168.3° |
| C9 | C10 | C26 | H7 | 140.5° | 71.8° |
| C10 | C9 | H24 | H25 | 119.1° | 120.5° |
| O2 | C9 | C10 | C26 | 49.9° | 64.7° |
| C9 | O2 | C8 | C7 | 31.9° | 17.4° |
| C9 | O2 | C8 | C5 | 148.6° | 162.8° |
| O2 | C9 | C10 | H4 | 57.5° | 55.0° |
| O2 | C9 | H24 | H25 | 119.1° | 120.5° |
| C10 | C26 | C7 | H6 | 121.1° | 120.1° |
| C10 | C26 | C7 | H7 | 121.1° | 120.1° |
| C10 | C26 | C7 | C8 | 5.0° | 18.0° |
| C10 | C26 | C7 | C6 | 175.5° | 162.0° |
| C10 | C26 | H6 | H7 | 116.5° | 119.9° |
| C26 | C10 | C9 | H24 | 170.3° | 175.6° |
| C26 | C10 | C9 | H25 | 70.3° | 55.0° |
| O5 | C17 | C15 | C16 | 180.0° | 179.9° |
| O5 | C17 | C15 | C18 | 179.5° | 179.9° |
| O5 | C17 | C18 | H14 | 0.0° | 90.0° |
| O5 | C17 | C18 | H15 | 120.0° | 30.1° |
| O5 | C17 | C18 | H16 | 120.0° | 150.0° |
| C15 | C16 | O3 | O4 | 176.9° | 180.0° |
| C16 | C15 | C17 | C18 | 0.5° | 0.0° |
| C16 | C15 | C14 | H13 | 0.7° | 0.1° |
| C15 | C16 | O4 | H26 | 176.7° | 180.0° |
| C17 | C15 | C16 | O3 | 149.6° | 0.0° |
| C17 | C15 | C16 | O4 | 33.5° | 180.0° |
| C17 | C15 | C14 | H13 | 179.8° | 180.0° |
| C15 | C17 | C18 | H14 | 179.5° | 90.0° |
| C15 | C17 | C18 | H15 | 60.6° | 150.0° |
| C15 | C17 | C18 | H16 | 59.5° | 30.1° |
| O3 | C16 | O4 | H26 | 0.0° | 0.0° |
| C17 | C18 | H14 | H15 | 120.0° | 120.0° |
| C17 | C18 | H14 | H16 | 120.0° | 120.0° |
| C17 | C18 | H15 | H16 | 120.0° | 119.9° |
| C26 | C7 | C8 | O2 | 0.3° | 0.8° |
| C26 | C7 | C8 | C6 | 179.5° | 180.0° |
| C26 | C7 | C8 | C5 | 179.1° | 179.5° |
| C26 | C7 | C6 | C3 | 179.1° | 179.6° |
| C26 | C7 | C6 | H3 | 0.9° | 0.4° |
| C7 | C26 | C10 | H4 | 88.2° | 71.5° |
| C7 | C26 | H6 | H7 | 116.5° | 119.9° |
| O2 | C8 | C7 | C5 | 179.5° | 179.8° |
| O2 | C8 | C7 | C6 | 179.9° | 179.2° |
| O2 | C8 | C5 | C4 | 179.9° | 179.6° |
| O2 | C8 | C5 | H2 | 0.1° | 0.4° |
| C8 | O2 | C9 | H24 | 177.0° | 169.0° |
| C8 | O2 | C9 | H25 | 63.5° | 70.5° |
| C8 | C7 | C6 | C3 | 0.4° | 0.5° |
| C7 | C8 | C5 | C4 | 0.4° | 0.2° |
| C7 | C8 | C5 | H2 | 179.6° | 179.8° |
| C8 | C7 | C6 | H3 | 179.6° | 179.5° |
| C8 | C7 | C26 | H6 | 126.1° | 138.0° |
| C8 | C7 | C26 | H7 | 116.1° | 102.1° |
| C6 | C7 | C8 | C5 | 0.4° | 0.6° |
| C7 | C6 | C3 | H3 | 180.0° | 180.0° |
| C7 | C6 | C3 | C4 | 0.4° | 0.0° |
| C7 | C6 | C3 | O1 | 179.5° | 180.0° |
| C6 | C7 | C26 | H6 | 54.4° | 41.9° |
| C6 | C7 | C26 | H7 | 63.4° | 77.9° |
| C8 | C5 | C4 | H2 | 180.0° | 180.0° |
| C8 | C5 | C4 | C3 | 0.5° | 0.3° |
| C8 | C5 | C4 | H1 | 179.6° | 180.0° |
| C6 | C3 | C4 | C5 | 0.5° | 0.4° |
| C6 | C3 | C4 | O1 | 179.1° | 180.0° |
| C6 | C3 | O1 | C2 | 19.8° | 180.0° |
| C6 | C3 | C4 | H1 | 179.6° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | O1 | 179.5° | 179.6° |
| C4 | C3 | O1 | C2 | 161.1° | 0.0° |
| C3 | C4 | C5 | H2 | 179.5° | 179.7° |
| C4 | C3 | C6 | H3 | 179.6° | 180.0° |
| C3 | O1 | C2 | C1 | 96.9° | 180.0° |
| O1 | C3 | C4 | H1 | 0.5° | 0.2° |
| O1 | C3 | C6 | H3 | 0.5° | 0.1° |
| C3 | O1 | C2 | H19 | 142.8° | 60.0° |
| C3 | O1 | C2 | H20 | 23.4° | 60.0° |
| C1 | C2 | O1 | H19 | 120.3° | 120.0° |
| C1 | C2 | O1 | H20 | 120.3° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | H19 | H20 | 119.1° | 119.9° |
| O1 | C2 | C1 | H8 | 180.0° | 180.0° |
| O1 | C2 | C1 | H9 | 60.0° | 60.0° |
| O1 | C2 | C1 | H10 | 60.0° | 60.0° |
| O1 | C2 | H19 | H20 | 119.1° | 120.1° |
| H1 | C4 | C5 | H2 | 0.4° | 0.0° |
| H4 | C10 | C26 | H6 | 150.7° | 48.6° |
| H4 | C10 | C26 | H7 | 32.9° | 168.5° |
| H4 | C10 | C9 | H24 | 62.8° | 64.7° |
| H4 | C10 | C9 | H25 | 177.8° | 174.7° |
| H8 | C1 | H9 | H10 | 120.0° | 119.9° |
| H8 | C1 | C2 | H19 | 59.7° | 60.0° |
| H8 | C1 | C2 | H20 | 59.7° | 60.0° |
| H9 | C1 | C2 | H19 | 60.3° | 60.0° |
| H9 | C1 | C2 | H20 | 179.7° | 180.0° |
| H10 | C1 | C2 | H19 | 179.8° | 180.0° |
| H10 | C1 | C2 | H20 | 60.3° | 60.0° |
| H14 | C18 | H15 | H16 | 120.0° | 120.1° |
| H21 | C25 | H22 | H23 | 119.9° | 120.0° |
