A1JDV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C16 | sing | 1.43Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| O12 | C3 | sing | 1.43Å | 1.44Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C | O1 | sing | 1.34Å | 1.25Å | |
| C1 | O2 | sing | 1.46Å | 1.45Å | |
| C1 | C23 | sing | 1.48Å | 1.53Å | |
| O2 | C2 | sing | 1.47Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| O8 | C15 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.52Å | 1.50Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| O11 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C4 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C17 | O6 | sing | 1.43Å | 1.42Å | |
| C2 | C19 | sing | 1.58Å | 1.53Å | |
| C22 | C23 | sing | 1.55Å | 1.48Å | |
| C22 | C21 | sing | 1.62Å | 1.50Å | |
| C4 | O3 | sing | 1.42Å | 1.38Å | |
| C21 | C20 | sing | 1.58Å | 1.57Å | |
| O6 | C13 | sing | 1.43Å | 1.42Å | |
| O3 | C5 | sing | 1.44Å | 1.40Å | |
| C19 | C5 | sing | 1.51Å | 1.49Å | |
| C19 | O10 | sing | 1.42Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C14 | O9 | sing | 1.43Å | 1.40Å | |
| C5 | O4 | sing | 1.43Å | 1.40Å | |
| C13 | O5 | sing | 1.43Å | 1.43Å | |
| O10 | C20 | sing | 1.42Å | 1.44Å | |
| O4 | C6 | sing | 1.43Å | 1.43Å | |
| O5 | C7 | sing | 1.43Å | 1.39Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C11 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.47Å | |
| C8 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| O9 | H12 | sing | 0.97Å | 0.95Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| O8 | H15 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| O7 | H17 | sing | 0.97Å | 0.95Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| O12 | H39 | sing | 0.97Å | 0.95Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| O11 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C16 | C15 | 107.5° | 109.5° |
| O7 | C16 | C17 | 111.4° | 109.5° |
| O7 | C16 | H16 | 109.2° | 109.5° |
| C16 | O7 | H17 | 109.5° | 114.0° |
| O | C | C1 | 116.6° | 120.0° |
| O | C | O1 | 126.3° | 120.0° |
| O12 | C3 | C2 | 105.9° | 109.6° |
| O12 | C3 | C4 | 109.2° | 109.6° |
| O12 | C3 | H10 | 111.1° | 109.6° |
| C3 | O12 | H39 | 109.5° | 114.0° |
| C1 | C | O1 | 117.1° | 120.0° |
| C | C1 | O2 | 112.1° | 110.8° |
| C | C1 | C23 | 106.6° | 110.8° |
| C | C1 | H6 | 108.0° | 110.6° |
| C | O1 | H5 | 109.5° | 117.0° |
| O2 | C1 | C23 | 113.2° | 102.9° |
| C1 | O2 | C2 | 116.6° | 99.9° |
| O2 | C1 | H6 | 108.9° | 110.8° |
| C1 | C23 | C22 | 107.0° | 115.2° |
| C23 | C1 | H6 | 107.9° | 110.7° |
| C1 | C23 | H37 | 110.1° | 108.4° |
| C1 | C23 | H38 | 110.1° | 108.4° |
| O2 | C2 | C3 | 104.5° | 106.3° |
| O2 | C2 | C19 | 107.9° | 120.1° |
| O2 | C2 | H11 | 111.7° | 107.1° |
| C18 | C17 | C16 | 108.0° | 109.5° |
| C18 | C17 | O6 | 110.5° | 109.5° |
| C18 | C17 | H18 | 110.0° | 109.5° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| O8 | C15 | C16 | 106.7° | 109.7° |
| O8 | C15 | C14 | 110.0° | 109.5° |
| O8 | C15 | H14 | 109.9° | 109.5° |
| C15 | O8 | H15 | 109.5° | 114.0° |
| C15 | C16 | C17 | 111.1° | 109.2° |
| C16 | C15 | C14 | 112.6° | 109.1° |
| C16 | C15 | H14 | 109.1° | 109.6° |
| C15 | C16 | H16 | 108.8° | 109.6° |
| C16 | C17 | O6 | 106.3° | 109.4° |
| C17 | C16 | H16 | 108.8° | 109.5° |
| C16 | C17 | H18 | 110.3° | 109.5° |
| C2 | C3 | C4 | 110.3° | 109.0° |
| C3 | C2 | C19 | 112.0° | 108.7° |
| C2 | C3 | H10 | 110.2° | 109.5° |
| C3 | C2 | H11 | 110.5° | 105.6° |
| C3 | C4 | C24 | 112.6° | 109.4° |
| C3 | C4 | O3 | 104.9° | 109.6° |
| C3 | C4 | H9 | 112.1° | 109.5° |
| C4 | C3 | H10 | 110.0° | 109.6° |
| O11 | C24 | C4 | 107.0° | 109.5° |
| O11 | C24 | H40 | 110.1° | 109.4° |
| O11 | C24 | H41 | 110.1° | 109.5° |
| C24 | O11 | H42 | 109.5° | 114.0° |
| C24 | C4 | O3 | 99.5° | 109.4° |
| C24 | C4 | H9 | 112.2° | 109.5° |
| C4 | C24 | H40 | 110.1° | 109.5° |
| C4 | C24 | H41 | 110.1° | 109.5° |
| C15 | C14 | C13 | 112.1° | 109.1° |
| C15 | C14 | O9 | 106.4° | 109.5° |
| C15 | C14 | H13 | 109.6° | 109.5° |
| C14 | C15 | H14 | 108.5° | 109.5° |
| C17 | O6 | C13 | 109.9° | 114.1° |
| O6 | C17 | H18 | 111.6° | 109.5° |
| C2 | C19 | C5 | 112.8° | 109.6° |
| C2 | C19 | O10 | 109.5° | 116.1° |
| C19 | C2 | H11 | 110.1° | 108.1° |
| C2 | C19 | H30 | 108.9° | 107.1° |
| C23 | C22 | C21 | 113.2° | 90.7° |
| C23 | C22 | H35 | 108.5° | 113.0° |
| C23 | C22 | H36 | 108.5° | 113.0° |
| C22 | C23 | H37 | 110.1° | 108.4° |
| C22 | C23 | H38 | 110.1° | 108.5° |
| C22 | C21 | C20 | 112.3° | 97.6° |
| C22 | C21 | H33 | 108.8° | 111.7° |
| C22 | C21 | H34 | 108.7° | 111.8° |
| C21 | C22 | H35 | 108.5° | 113.0° |
| C21 | C22 | H36 | 108.5° | 113.0° |
| C4 | O3 | C5 | 112.8° | 116.8° |
| O3 | C4 | H9 | 114.6° | 109.5° |
| C21 | C20 | O10 | 113.6° | 107.8° |
| C21 | C20 | H31 | 108.5° | 109.9° |
| C21 | C20 | H32 | 108.4° | 109.9° |
| C20 | C21 | H33 | 108.7° | 111.7° |
| C20 | C21 | H34 | 108.8° | 111.7° |
| O6 | C13 | C14 | 109.2° | 109.4° |
| O6 | C13 | O5 | 114.7° | 109.5° |
| O6 | C13 | H22 | 109.3° | 109.5° |
| O3 | C5 | C19 | 112.9° | 109.0° |
| O3 | C5 | O4 | 99.1° | 109.5° |
| O3 | C5 | H7 | 112.1° | 109.6° |
| C5 | C19 | O10 | 106.3° | 110.4° |
| C19 | C5 | O4 | 109.6° | 109.6° |
| C19 | C5 | H7 | 110.7° | 109.5° |
| C5 | C19 | H30 | 109.5° | 105.8° |
| C19 | O10 | C20 | 113.0° | 119.2° |
| O10 | C19 | H30 | 109.8° | 107.3° |
| C13 | C14 | O9 | 106.4° | 109.6° |
| C14 | C13 | O5 | 105.9° | 109.5° |
| C13 | C14 | H13 | 110.3° | 109.6° |
| C14 | C13 | H22 | 108.4° | 109.4° |
| C14 | O9 | H12 | 109.5° | 113.9° |
| O9 | C14 | H13 | 111.8° | 109.5° |
| C5 | O4 | C6 | 101.1° | 114.0° |
| O4 | C5 | H7 | 112.0° | 109.6° |
| C13 | O5 | C7 | 107.2° | 114.0° |
| O5 | C13 | H22 | 109.2° | 109.5° |
| O10 | C20 | H31 | 108.5° | 109.9° |
| O10 | C20 | H32 | 108.4° | 109.9° |
| O4 | C6 | C7 | 110.3° | 109.4° |
| O4 | C6 | C11 | 106.1° | 109.5° |
| O4 | C6 | H8 | 110.0° | 109.5° |
| O5 | C7 | C6 | 110.1° | 109.5° |
| O5 | C7 | C8 | 104.5° | 109.5° |
| O5 | C7 | H1 | 112.1° | 109.5° |
| C7 | C6 | C11 | 113.2° | 109.5° |
| C6 | C7 | C8 | 108.7° | 109.4° |
| C6 | C7 | H1 | 110.2° | 109.5° |
| C7 | C6 | H8 | 108.7° | 109.5° |
| C6 | C11 | C10 | 106.5° | 109.5° |
| C11 | C6 | H8 | 108.5° | 109.5° |
| C6 | C11 | H28 | 110.2° | 109.5° |
| C6 | C11 | H29 | 110.2° | 109.4° |
| C7 | C8 | C12 | 111.5° | 109.5° |
| C7 | C8 | C9 | 107.9° | 109.5° |
| C8 | C7 | H1 | 111.0° | 109.4° |
| C7 | C8 | H2 | 109.9° | 109.4° |
| C11 | C10 | C9 | 109.4° | 109.5° |
| C11 | C10 | H26 | 109.5° | 109.5° |
| C11 | C10 | H27 | 109.5° | 109.5° |
| C10 | C11 | H28 | 110.2° | 109.5° |
| C10 | C11 | H29 | 110.2° | 109.5° |
| C12 | C8 | C9 | 109.2° | 109.5° |
| C12 | C8 | H2 | 109.0° | 109.4° |
| C8 | C12 | H23 | 109.5° | 109.4° |
| C8 | C12 | H24 | 109.4° | 109.5° |
| C8 | C12 | H25 | 109.5° | 109.5° |
| C8 | C9 | C10 | 107.3° | 109.5° |
| C9 | C8 | H2 | 109.3° | 109.5° |
| C8 | C9 | H3 | 110.0° | 109.5° |
| C8 | C9 | H4 | 110.0° | 109.4° |
| C10 | C9 | H3 | 110.0° | 109.5° |
| C10 | C9 | H4 | 110.0° | 109.5° |
| C9 | C10 | H26 | 109.5° | 109.5° |
| C9 | C10 | H27 | 109.5° | 109.4° |
| H3 | C9 | H4 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.4° | 109.4° |
| H19 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H23 | C12 | H25 | 109.4° | 109.4° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C10 | H27 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 111.6° |
| H35 | C22 | H36 | 109.5° | 112.4° |
| H37 | C23 | H38 | 109.5° | 107.7° |
| H40 | C24 | H41 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C16 | C17 | C18 | 58.4° | 57.6° |
| O7 | C16 | C15 | O8 | 43.7° | 56.9° |
| O7 | C16 | C15 | C17 | 122.1° | 119.9° |
| O7 | C16 | C15 | H16 | 118.2° | 120.2° |
| O7 | C16 | C17 | H16 | 120.4° | 120.1° |
| O7 | C16 | C15 | C14 | 77.0° | 62.9° |
| O7 | C16 | C17 | O6 | 60.3° | 62.3° |
| O7 | C16 | C15 | H14 | 162.5° | 177.2° |
| O7 | C16 | C17 | H18 | 178.6° | 177.7° |
| O | C | C1 | O1 | 179.5° | 179.9° |
| O | C | C1 | O2 | 167.6° | 5.0° |
| O | C | C1 | C23 | 68.1° | 108.5° |
| O | C | O1 | H5 | 0.0° | 0.1° |
| O | C | C1 | H6 | 47.6° | 128.3° |
| O12 | C3 | C2 | O2 | 46.8° | 68.4° |
| O12 | C3 | C2 | C4 | 118.1° | 119.9° |
| O12 | C3 | C2 | H10 | 120.3° | 120.2° |
| O12 | C3 | C4 | H10 | 122.2° | 120.3° |
| O12 | C3 | C4 | C24 | 54.9° | 57.3° |
| O12 | C3 | C2 | C19 | 69.7° | 62.3° |
| O12 | C3 | C4 | O3 | 52.3° | 62.7° |
| O12 | C3 | C4 | H9 | 177.3° | 177.2° |
| O12 | C3 | C2 | H11 | 167.1° | 178.0° |
| C | C1 | O2 | C23 | 120.6° | 118.5° |
| C | C1 | O2 | H6 | 119.4° | 123.2° |
| C | C1 | C23 | H6 | 115.7° | 123.1° |
| C | C1 | O2 | C2 | 63.2° | 111.6° |
| C | C1 | C23 | C22 | 158.7° | 164.2° |
| C1 | C | O1 | H5 | 179.5° | 180.0° |
| C | C1 | C23 | H37 | 39.1° | 42.7° |
| C | C1 | C23 | H38 | 81.7° | 74.0° |
| O1 | C | C1 | O2 | 12.9° | 175.1° |
| O1 | C | C1 | C23 | 111.4° | 71.4° |
| O1 | C | C1 | H6 | 132.9° | 51.8° |
| O2 | C1 | C23 | H6 | 120.6° | 118.4° |
| C1 | O2 | C2 | C3 | 138.8° | 84.5° |
| C1 | O2 | C2 | C19 | 101.8° | 39.3° |
| O2 | C1 | C23 | C22 | 77.6° | 77.3° |
| C1 | O2 | C2 | H11 | 19.3° | 163.0° |
| O2 | C1 | C23 | H37 | 162.8° | 161.1° |
| O2 | C1 | C23 | H38 | 42.0° | 44.4° |
| C23 | C1 | O2 | C2 | 57.4° | 130.0° |
| C1 | C23 | C22 | H37 | 119.6° | 121.6° |
| C1 | C23 | C22 | H38 | 119.6° | 121.7° |
| C1 | C23 | C22 | C21 | 90.6° | 63.1° |
| C1 | C23 | C22 | H35 | 30.0° | 52.4° |
| C1 | C23 | C22 | H36 | 148.9° | 178.5° |
| C1 | C23 | H37 | H38 | 121.1° | 117.1° |
| O2 | C2 | C3 | C19 | 116.5° | 130.7° |
| O2 | C2 | C3 | H11 | 120.3° | 113.6° |
| O2 | C2 | C3 | C4 | 164.9° | 171.7° |
| O2 | C2 | C19 | H11 | 122.1° | 123.2° |
| O2 | C2 | C19 | C5 | 151.6° | 179.6° |
| O2 | C2 | C19 | O10 | 90.2° | 53.8° |
| C2 | O2 | C1 | H6 | 177.4° | 11.6° |
| O2 | C2 | C3 | H10 | 73.5° | 51.8° |
| O2 | C2 | C19 | H30 | 29.9° | 66.0° |
| C18 | C17 | C16 | C15 | 178.3° | 177.6° |
| C18 | C17 | C16 | O6 | 118.7° | 120.0° |
| C18 | C17 | C16 | H18 | 120.2° | 120.0° |
| C18 | C17 | O6 | H18 | 122.7° | 120.0° |
| C18 | C17 | O6 | C13 | 170.5° | 178.9° |
| C18 | C17 | C16 | H16 | 62.0° | 62.5° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H21 | 120.0° | 120.1° |
| C17 | C18 | H20 | H21 | 120.0° | 120.1° |
| O8 | C15 | C16 | C14 | 120.7° | 119.9° |
| O8 | C15 | C16 | H14 | 118.7° | 120.3° |
| O8 | C15 | C16 | C17 | 165.9° | 176.9° |
| O8 | C15 | C14 | H14 | 120.3° | 120.1° |
| O8 | C15 | C14 | C13 | 159.6° | 176.9° |
| O8 | C15 | C14 | O9 | 84.4° | 63.1° |
| O8 | C15 | C14 | H13 | 36.7° | 57.0° |
| O8 | C15 | C16 | H16 | 74.4° | 63.2° |
| C15 | C16 | C17 | H16 | 119.7° | 119.9° |
| C16 | C15 | C14 | H14 | 120.9° | 119.9° |
| C15 | C16 | C17 | O6 | 59.6° | 57.6° |
| C16 | C15 | C14 | C13 | 40.8° | 57.0° |
| C16 | C15 | C14 | O9 | 156.7° | 176.9° |
| C16 | C15 | C14 | H13 | 82.1° | 63.0° |
| C16 | C15 | O8 | H15 | 180.0° | 179.6° |
| C15 | C16 | O7 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | H18 | 61.5° | 62.4° |
| C17 | C16 | C15 | C14 | 45.2° | 57.0° |
| C16 | C17 | O6 | H18 | 120.2° | 120.0° |
| C16 | C17 | O6 | C13 | 72.5° | 61.1° |
| C17 | C16 | C15 | H14 | 75.4° | 62.9° |
| C17 | C16 | O7 | H17 | 58.0° | 60.3° |
| C16 | C17 | C18 | H19 | 180.0° | 63.0° |
| C16 | C17 | C18 | H20 | 60.0° | 177.0° |
| C16 | C17 | C18 | H21 | 60.0° | 57.0° |
| C2 | C3 | C4 | H10 | 121.8° | 119.9° |
| C2 | C3 | C4 | C24 | 171.0° | 177.2° |
| C3 | C2 | C19 | H11 | 123.4° | 114.1° |
| C2 | C3 | C4 | O3 | 63.8° | 57.2° |
| C3 | C2 | C19 | C5 | 37.1° | 57.7° |
| C3 | C2 | C19 | O10 | 155.3° | 176.4° |
| C2 | C3 | C4 | H9 | 61.3° | 62.9° |
| C3 | C2 | C19 | H30 | 84.6° | 56.7° |
| C2 | C3 | O12 | H39 | 180.0° | 180.0° |
| C3 | C4 | C24 | O11 | 90.6° | 174.9° |
| C3 | C4 | C24 | O3 | 110.6° | 120.1° |
| C3 | C4 | C24 | H9 | 127.7° | 120.0° |
| C4 | C3 | C2 | C19 | 48.4° | 57.6° |
| C3 | C4 | O3 | H9 | 123.5° | 120.1° |
| C3 | C4 | O3 | C5 | 71.2° | 59.0° |
| C4 | C3 | C2 | H11 | 74.8° | 58.1° |
| C4 | C3 | O12 | H39 | 61.2° | 60.5° |
| C3 | C4 | C24 | H40 | 149.7° | 54.9° |
| C3 | C4 | C24 | H41 | 29.0° | 65.1° |
| O11 | C24 | C4 | H40 | 119.6° | 120.0° |
| O11 | C24 | C4 | H41 | 119.6° | 120.1° |
| O11 | C24 | C4 | O3 | 158.7° | 65.1° |
| O11 | C24 | C4 | H9 | 37.1° | 54.9° |
| O11 | C24 | H40 | H41 | 121.1° | 120.0° |
| C24 | C4 | O3 | H9 | 119.9° | 119.9° |
| C24 | C4 | O3 | C5 | 172.2° | 179.0° |
| C24 | C4 | C3 | H10 | 67.2° | 63.0° |
| C4 | C24 | H40 | H41 | 121.1° | 120.0° |
| C4 | C24 | O11 | H42 | 180.0° | 180.0° |
| C15 | C14 | C13 | O6 | 50.7° | 57.6° |
| C15 | C14 | C13 | O9 | 116.0° | 119.9° |
| C15 | C14 | C13 | H13 | 122.5° | 119.9° |
| C15 | C14 | O9 | H13 | 119.7° | 120.1° |
| C15 | C14 | C13 | O5 | 73.3° | 62.4° |
| C15 | C14 | O9 | H12 | 180.0° | 179.7° |
| C14 | C15 | O8 | H15 | 57.6° | 60.0° |
| C14 | C15 | C16 | H16 | 164.9° | 176.9° |
| C15 | C14 | C13 | H22 | 169.7° | 177.6° |
| C17 | O6 | C13 | C14 | 68.8° | 61.2° |
| C17 | O6 | C13 | O5 | 49.9° | 58.9° |
| O6 | C17 | C16 | H16 | 179.3° | 177.6° |
| O6 | C17 | C18 | H19 | 64.0° | 177.0° |
| O6 | C17 | C18 | H20 | 55.9° | 57.1° |
| O6 | C17 | C18 | H21 | 176.0° | 62.9° |
| C17 | O6 | C13 | H22 | 172.8° | 178.9° |
| C2 | C19 | C5 | O3 | 41.6° | 55.0° |
| C2 | C19 | C5 | O10 | 120.1° | 129.1° |
| C2 | C19 | C5 | H30 | 121.4° | 115.2° |
| C2 | C19 | O10 | H30 | 119.5° | 119.7° |
| C2 | C19 | C5 | O4 | 151.0° | 174.8° |
| C2 | C19 | O10 | C20 | 122.8° | 129.9° |
| C2 | C19 | C5 | H7 | 85.0° | 65.0° |
| C19 | C2 | C3 | H10 | 170.0° | 177.5° |
| C23 | C22 | C21 | H35 | 120.5° | 115.5° |
| C23 | C22 | C21 | H36 | 120.5° | 115.4° |
| C23 | C22 | C21 | C20 | 45.5° | 134.8° |
| C22 | C23 | C1 | H6 | 43.0° | 41.2° |
| C23 | C22 | C21 | H33 | 74.9° | 108.1° |
| C23 | C22 | C21 | H34 | 165.9° | 17.7° |
| C23 | C22 | H35 | H36 | 118.3° | 129.4° |
| C22 | C23 | H37 | H38 | 121.1° | 117.2° |
| C22 | C21 | C20 | H33 | 120.4° | 117.1° |
| C22 | C21 | C20 | H34 | 120.4° | 117.2° |
| C22 | C21 | C20 | O10 | 70.7° | 52.3° |
| C22 | C21 | C20 | H31 | 168.7° | 67.5° |
| C22 | C21 | C20 | H32 | 49.9° | 172.0° |
| C22 | C21 | H33 | H34 | 118.7° | 126.0° |
| C21 | C22 | H35 | H36 | 118.3° | 129.4° |
| C21 | C22 | C23 | H37 | 149.8° | 58.5° |
| C21 | C22 | C23 | H38 | 29.1° | 175.2° |
| C4 | O3 | C5 | C19 | 61.8° | 58.4° |
| C4 | O3 | C5 | O4 | 177.7° | 178.3° |
| C4 | O3 | C5 | H7 | 64.0° | 61.5° |
| O3 | C4 | C3 | H10 | 174.4° | 177.1° |
| O3 | C4 | C24 | H40 | 39.1° | 175.0° |
| O3 | C4 | C24 | H41 | 81.7° | 55.0° |
| C21 | C20 | O10 | C19 | 50.5° | 69.0° |
| C21 | C20 | O10 | H31 | 120.6° | 119.7° |
| C21 | C20 | O10 | H32 | 120.6° | 119.7° |
| C21 | C20 | H31 | H32 | 118.1° | 120.7° |
| C20 | C21 | H33 | H34 | 118.7° | 125.8° |
| C20 | C21 | C22 | H35 | 166.0° | 19.3° |
| C20 | C21 | C22 | H36 | 75.0° | 109.8° |
| O6 | C13 | C14 | O5 | 124.0° | 120.0° |
| O6 | C13 | C14 | H22 | 119.0° | 120.0° |
| O6 | C13 | C14 | O9 | 166.7° | 177.5° |
| O6 | C13 | O5 | H22 | 123.0° | 120.0° |
| O6 | C13 | O5 | C7 | 79.5° | 71.9° |
| O6 | C13 | C14 | H13 | 71.8° | 62.3° |
| C13 | O6 | C17 | H18 | 47.7° | 58.9° |
| O3 | C5 | C19 | O4 | 109.4° | 119.8° |
| O3 | C5 | C19 | H7 | 126.6° | 120.0° |
| O3 | C5 | C19 | O10 | 161.7° | 176.0° |
| O3 | C5 | O4 | H7 | 118.4° | 120.3° |
| O3 | C5 | O4 | C6 | 88.3° | 72.4° |
| C5 | O3 | C4 | H9 | 52.3° | 61.1° |
| O3 | C5 | C19 | H30 | 79.7° | 60.2° |
| C5 | C19 | O10 | H30 | 118.3° | 114.9° |
| C19 | C5 | O4 | H7 | 123.2° | 120.2° |
| C5 | C19 | O10 | C20 | 115.0° | 104.6° |
| C19 | C5 | O4 | C6 | 153.3° | 168.1° |
| C5 | C19 | C2 | H11 | 86.3° | 56.4° |
| O10 | C19 | C5 | O4 | 88.9° | 56.1° |
| O10 | C19 | C5 | H7 | 35.1° | 64.1° |
| O10 | C19 | C2 | H11 | 31.9° | 69.5° |
| C19 | O10 | C20 | H31 | 70.2° | 171.3° |
| C19 | O10 | C20 | H32 | 171.1° | 50.7° |
| C13 | C14 | O9 | H13 | 120.6° | 120.2° |
| C14 | C13 | O5 | H22 | 116.5° | 120.0° |
| C14 | C13 | O5 | C7 | 160.0° | 168.1° |
| C13 | C14 | O9 | H12 | 60.2° | 60.0° |
| C13 | C14 | C15 | H14 | 80.1° | 62.9° |
| O9 | C14 | C13 | O5 | 42.6° | 57.5° |
| O9 | C14 | C15 | H14 | 35.9° | 57.0° |
| O9 | C14 | C13 | H22 | 74.4° | 62.5° |
| C5 | O4 | C6 | C7 | 144.7° | 144.7° |
| C5 | O4 | C6 | C11 | 92.5° | 95.3° |
| C5 | O4 | C6 | H8 | 24.7° | 24.8° |
| O4 | C5 | C19 | H30 | 29.7° | 59.6° |
| C13 | O5 | C7 | C6 | 131.8° | 144.3° |
| C13 | O5 | C7 | C8 | 111.6° | 95.7° |
| C13 | O5 | C7 | H1 | 8.7° | 24.3° |
| O5 | C13 | C14 | H13 | 164.1° | 177.7° |
| C20 | O10 | C19 | H30 | 3.3° | 10.3° |
| O10 | C20 | H31 | H32 | 118.1° | 120.8° |
| O10 | C20 | C21 | H33 | 49.8° | 169.3° |
| O10 | C20 | C21 | H34 | 168.9° | 64.9° |
| O4 | C6 | C7 | O5 | 70.0° | 60.0° |
| O4 | C6 | C7 | C11 | 118.6° | 120.0° |
| O4 | C6 | C7 | H8 | 120.7° | 120.0° |
| O4 | C6 | C11 | H8 | 118.2° | 120.0° |
| O4 | C6 | C7 | C8 | 176.0° | 180.0° |
| O4 | C6 | C11 | C10 | 177.3° | 180.0° |
| O4 | C6 | C7 | H1 | 54.2° | 60.0° |
| C6 | O4 | C5 | H7 | 30.1° | 47.9° |
| O4 | C6 | C11 | H28 | 57.7° | 60.0° |
| O4 | C6 | C11 | H29 | 63.2° | 60.0° |
| O5 | C7 | C6 | C8 | 114.0° | 120.0° |
| O5 | C7 | C6 | H1 | 124.2° | 120.0° |
| O5 | C7 | C6 | C11 | 171.4° | 180.0° |
| O5 | C7 | C8 | H1 | 121.1° | 120.0° |
| O5 | C7 | C8 | C12 | 61.8° | 60.0° |
| O5 | C7 | C8 | C9 | 178.3° | 180.0° |
| O5 | C7 | C8 | H2 | 59.2° | 60.0° |
| O5 | C7 | C6 | H8 | 50.7° | 60.0° |
| C7 | O5 | C13 | H22 | 43.6° | 48.1° |
| C7 | C6 | C11 | H8 | 120.8° | 120.0° |
| C6 | C7 | C8 | H1 | 121.4° | 120.0° |
| C7 | C6 | C11 | C10 | 56.2° | 60.0° |
| C6 | C7 | C8 | C12 | 179.3° | 180.0° |
| C6 | C7 | C8 | C9 | 60.7° | 60.0° |
| C6 | C7 | C8 | H2 | 58.3° | 60.0° |
| C7 | C6 | C11 | H28 | 63.3° | 60.0° |
| C7 | C6 | C11 | H29 | 175.8° | 180.0° |
| C11 | C6 | C7 | C8 | 57.4° | 60.0° |
| C6 | C11 | C10 | H28 | 119.5° | 120.0° |
| C6 | C11 | C10 | H29 | 119.5° | 119.9° |
| C6 | C11 | C10 | C9 | 60.2° | 60.0° |
| C11 | C6 | C7 | H1 | 64.4° | 60.0° |
| C6 | C11 | C10 | H26 | 179.8° | 60.0° |
| C6 | C11 | C10 | H27 | 59.8° | 180.0° |
| C6 | C11 | H28 | H29 | 121.4° | 120.0° |
| C7 | C8 | C12 | C9 | 119.1° | 120.1° |
| C7 | C8 | C12 | H2 | 121.5° | 119.9° |
| C7 | C8 | C9 | H2 | 119.5° | 120.0° |
| C7 | C8 | C9 | C10 | 66.1° | 60.0° |
| C7 | C8 | C9 | H3 | 174.3° | 180.0° |
| C7 | C8 | C9 | H4 | 53.6° | 60.0° |
| C8 | C7 | C6 | H8 | 63.3° | 60.1° |
| C7 | C8 | C12 | H23 | 180.0° | 53.9° |
| C7 | C8 | C12 | H24 | 60.0° | 174.0° |
| C7 | C8 | C12 | H25 | 60.0° | 66.0° |
| C11 | C10 | C9 | C8 | 67.2° | 60.0° |
| C11 | C10 | C9 | H26 | 120.0° | 120.1° |
| C11 | C10 | C9 | H27 | 120.0° | 120.0° |
| C11 | C10 | C9 | H3 | 173.1° | 180.0° |
| C11 | C10 | C9 | H4 | 52.5° | 59.9° |
| C10 | C11 | C6 | H8 | 64.6° | 60.0° |
| C11 | C10 | H26 | H27 | 120.1° | 120.0° |
| C10 | C11 | H28 | H29 | 121.4° | 120.0° |
| C12 | C8 | C9 | H2 | 119.2° | 120.0° |
| C12 | C8 | C9 | C10 | 172.6° | 180.0° |
| C12 | C8 | C7 | H1 | 59.3° | 60.1° |
| C12 | C8 | C9 | H3 | 52.9° | 59.9° |
| C12 | C8 | C9 | H4 | 67.7° | 60.1° |
| C8 | C12 | H23 | H24 | 120.0° | 120.0° |
| C8 | C12 | H23 | H25 | 120.0° | 119.9° |
| C8 | C12 | H24 | H25 | 120.0° | 120.0° |
| C8 | C9 | C10 | H3 | 119.6° | 120.0° |
| C8 | C9 | C10 | H4 | 119.7° | 119.9° |
| C9 | C8 | C7 | H1 | 60.6° | 60.0° |
| C8 | C9 | H3 | H4 | 121.0° | 120.0° |
| C9 | C8 | C12 | H23 | 60.9° | 66.1° |
| C9 | C8 | C12 | H24 | 179.1° | 53.9° |
| C9 | C8 | C12 | H25 | 59.1° | 174.0° |
| C8 | C9 | C10 | H26 | 172.8° | 60.1° |
| C8 | C9 | C10 | H27 | 52.8° | 180.0° |
| C10 | C9 | C8 | H2 | 53.4° | 60.0° |
| C10 | C9 | H3 | H4 | 121.0° | 120.0° |
| C9 | C10 | H26 | H27 | 120.0° | 120.0° |
| C9 | C10 | C11 | H28 | 59.3° | 59.9° |
| C9 | C10 | C11 | H29 | 179.7° | 180.0° |
| H1 | C7 | C8 | H2 | 179.7° | 180.0° |
| H1 | C7 | C6 | H8 | 174.9° | NaN° |
| H2 | C8 | C9 | H3 | 66.3° | 60.0° |
| H2 | C8 | C9 | H4 | 173.1° | 180.0° |
| H2 | C8 | C12 | H23 | 58.5° | 173.9° |
| H2 | C8 | C12 | H24 | 61.6° | 66.1° |
| H2 | C8 | C12 | H25 | 178.4° | 54.0° |
| H3 | C9 | C10 | H26 | 53.2° | 60.0° |
| H3 | C9 | C10 | H27 | 66.8° | 60.0° |
| H4 | C9 | C10 | H26 | 67.5° | 180.0° |
| H4 | C9 | C10 | H27 | 172.5° | 60.1° |
| H6 | C1 | C23 | H37 | 76.6° | 80.4° |
| H6 | C1 | C23 | H38 | 162.6° | 162.9° |
| H7 | C5 | C19 | H30 | 153.7° | 179.9° |
| H8 | C6 | C11 | H28 | 175.9° | 180.0° |
| H8 | C6 | C11 | H29 | 54.9° | 60.0° |
| H9 | C4 | C3 | H10 | 60.5° | 57.0° |
| H9 | C4 | C24 | H40 | 82.6° | 65.0° |
| H9 | C4 | C24 | H41 | 156.7° | 175.0° |
| H10 | C3 | C2 | H11 | 46.8° | 61.8° |
| H10 | C3 | O12 | H39 | 60.3° | 59.8° |
| H11 | C2 | C19 | H30 | 152.0° | 170.8° |
| H12 | O9 | C14 | H13 | 60.3° | 60.2° |
| H13 | C14 | C15 | H14 | 157.0° | 177.1° |
| H13 | C14 | C13 | H22 | 47.1° | 57.7° |
| H14 | C15 | O8 | H15 | 61.8° | 60.1° |
| H14 | C15 | C16 | H16 | 44.3° | 57.0° |
| H16 | C16 | O7 | H17 | 62.1° | 59.8° |
| H16 | C16 | C17 | H18 | 58.2° | 57.6° |
| H18 | C17 | C18 | H19 | 59.6° | 57.0° |
| H18 | C17 | C18 | H20 | 179.6° | 62.9° |
| H18 | C17 | C18 | H21 | 60.4° | 177.0° |
| H19 | C18 | H20 | H21 | 120.0° | 120.0° |
| H23 | C12 | H24 | H25 | 120.0° | 120.0° |
| H26 | C10 | C11 | H28 | 60.7° | 180.0° |
| H26 | C10 | C11 | H29 | 60.3° | 59.9° |
| H27 | C10 | C11 | H28 | 179.3° | 60.0° |
| H27 | C10 | C11 | H29 | 59.7° | 60.0° |
| H31 | C20 | C21 | H33 | 70.9° | 49.6° |
| H31 | C20 | C21 | H34 | 48.3° | 175.3° |
| H32 | C20 | C21 | H33 | 170.3° | 70.9° |
| H32 | C20 | C21 | H34 | 70.5° | 54.8° |
| H33 | C21 | C22 | H35 | 45.6° | 136.4° |
| H33 | C21 | C22 | H36 | 164.5° | 7.3° |
| H34 | C21 | C22 | H35 | 73.5° | 97.8° |
| H34 | C21 | C22 | H36 | 45.4° | 133.1° |
| H35 | C22 | C23 | H37 | 89.6° | 174.0° |
| H35 | C22 | C23 | H38 | 149.6° | 69.3° |
| H36 | C22 | C23 | H37 | 29.3° | 56.9° |
| H36 | C22 | C23 | H38 | 91.5° | 59.8° |
| H40 | C24 | O11 | H42 | 60.4° | 60.0° |
| H41 | C24 | O11 | H42 | 60.4° | 60.0° |
