4TD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | O9 | sing | 1.43Å | 1.44Å | |
| O9 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C1 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| O25 | C23 | sing | 1.43Å | 1.43Å | |
| C14 | C1 | sing | 1.53Å | 1.54Å | |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| C16 | O15 | sing | 1.43Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | O21 | sing | 1.43Å | 1.43Å | |
| C1 | C20 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O19 | C17 | sing | 1.43Å | 1.43Å | |
| O21 | C20 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C2 | O3 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O3 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O7 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| O25 | H33 | sing | 0.97Å | 0.95Å | |
| O19 | H34 | sing | 0.97Å | 0.95Å | |
| O13 | H35 | sing | 0.97Å | 0.95Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | C12 | 109.5° | 109.5° |
| O13 | C11 | C10 | 107.6° | 109.5° |
| O13 | C11 | H13 | 108.4° | 109.4° |
| C11 | O13 | H35 | 109.5° | 114.0° |
| C12 | C11 | C10 | 116.8° | 109.5° |
| C12 | C11 | H13 | 107.2° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C10 | O9 | 116.4° | 109.5° |
| C11 | C10 | H11 | 107.7° | 109.5° |
| C11 | C10 | H12 | 107.7° | 109.4° |
| C10 | C11 | H13 | 107.1° | 109.5° |
| C10 | O9 | C8 | 116.3° | 114.0° |
| O9 | C10 | H11 | 107.7° | 109.5° |
| O9 | C10 | H12 | 107.7° | 109.5° |
| O9 | C8 | C1 | 125.9° | 109.5° |
| O9 | C8 | H9 | 105.2° | 109.5° |
| O9 | C8 | H10 | 105.2° | 109.5° |
| C8 | C1 | C14 | 121.7° | 109.5° |
| C8 | C1 | C20 | 97.7° | 109.5° |
| C8 | C1 | C2 | 109.0° | 109.5° |
| C1 | C8 | H9 | 105.2° | 109.5° |
| C1 | C8 | H10 | 105.2° | 109.5° |
| C24 | C23 | O25 | 110.9° | 109.5° |
| C24 | C23 | C22 | 113.3° | 109.5° |
| C24 | C23 | H29 | 107.6° | 109.4° |
| C23 | C24 | H30 | 109.5° | 109.4° |
| C23 | C24 | H31 | 109.5° | 109.5° |
| C23 | C24 | H32 | 109.5° | 109.5° |
| O25 | C23 | C22 | 108.5° | 109.5° |
| O25 | C23 | H29 | 108.8° | 109.5° |
| C23 | O25 | H33 | 109.5° | 114.0° |
| C1 | C14 | O15 | 121.3° | 109.5° |
| C14 | C1 | C20 | 108.8° | 109.4° |
| C14 | C1 | C2 | 108.8° | 109.5° |
| C1 | C14 | H17 | 106.4° | 109.5° |
| C1 | C14 | H18 | 106.4° | 109.5° |
| C14 | O15 | C16 | 119.2° | 114.0° |
| O15 | C14 | H17 | 106.5° | 109.5° |
| O15 | C14 | H18 | 106.5° | 109.4° |
| O15 | C16 | C17 | 119.0° | 109.5° |
| O15 | C16 | H19 | 107.0° | 109.5° |
| O15 | C16 | H20 | 107.0° | 109.5° |
| C16 | C17 | O19 | 105.6° | 109.5° |
| C16 | C17 | C18 | 118.8° | 109.5° |
| C17 | C16 | H19 | 107.1° | 109.5° |
| C17 | C16 | H20 | 107.0° | 109.4° |
| C16 | C17 | H21 | 107.3° | 109.5° |
| C23 | C22 | O21 | 103.2° | 109.5° |
| C23 | C22 | H27 | 111.0° | 109.5° |
| C23 | C22 | H28 | 111.0° | 109.5° |
| C22 | C23 | H29 | 107.6° | 109.5° |
| C22 | O21 | C20 | 119.3° | 114.0° |
| O21 | C22 | H27 | 111.0° | 109.4° |
| O21 | C22 | H28 | 111.0° | 109.5° |
| C20 | C1 | C2 | 110.0° | 109.5° |
| C1 | C20 | O21 | 107.0° | 109.5° |
| C1 | C20 | H25 | 110.1° | 109.5° |
| C1 | C20 | H26 | 110.1° | 109.5° |
| C1 | C2 | O3 | 109.4° | 109.5° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| O19 | C17 | C18 | 109.0° | 109.5° |
| O19 | C17 | H21 | 108.5° | 109.5° |
| C17 | O19 | H34 | 109.5° | 114.0° |
| O21 | C20 | H25 | 110.1° | 109.4° |
| O21 | C20 | H26 | 110.1° | 109.5° |
| C18 | C17 | H21 | 107.3° | 109.4° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.4° | 109.5° |
| C2 | O3 | C4 | 118.5° | 114.0° |
| O3 | C2 | H1 | 109.5° | 109.5° |
| O3 | C2 | H2 | 109.5° | 109.5° |
| C6 | C5 | C4 | 114.2° | 109.5° |
| C6 | C5 | O7 | 106.7° | 109.5° |
| C6 | C5 | H5 | 109.2° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.4° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.4° |
| O3 | C4 | C5 | 104.1° | 109.5° |
| O3 | C4 | H3 | 110.8° | 109.5° |
| O3 | C4 | H4 | 110.8° | 109.5° |
| C4 | C5 | O7 | 107.1° | 109.5° |
| C5 | C4 | H3 | 110.8° | 109.4° |
| C5 | C4 | H4 | 110.8° | 109.4° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| O7 | C5 | H5 | 110.5° | 109.4° |
| C5 | O7 | H36 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H30 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | C12 | C10 | 122.5° | 120.0° |
| O13 | C11 | C12 | H13 | 117.4° | 119.9° |
| O13 | C11 | C10 | H13 | 116.4° | 120.0° |
| O13 | C11 | C10 | O9 | 18.7° | 65.0° |
| O13 | C11 | C10 | H11 | 102.3° | 55.0° |
| O13 | C11 | C10 | H12 | 139.7° | 174.9° |
| O13 | C11 | C12 | H14 | 180.0° | 60.0° |
| O13 | C11 | C12 | H15 | 60.0° | 179.9° |
| O13 | C11 | C12 | H16 | 60.0° | 60.0° |
| C12 | C11 | C10 | H13 | 120.2° | 120.0° |
| C12 | C11 | C10 | O9 | 104.7° | 55.0° |
| C12 | C11 | C10 | H11 | 134.3° | 175.0° |
| C12 | C11 | C10 | H12 | 16.3° | 65.1° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C12 | C11 | O13 | H35 | 180.0° | 60.0° |
| C11 | C10 | O9 | H11 | 121.0° | 120.0° |
| C11 | C10 | O9 | H12 | 121.0° | 120.0° |
| C11 | C10 | O9 | C8 | 173.5° | 180.0° |
| C11 | C10 | H11 | H12 | 116.9° | 119.9° |
| C10 | C11 | C12 | H14 | 57.5° | 60.0° |
| C10 | C11 | C12 | H15 | 177.5° | 60.0° |
| C10 | C11 | C12 | H16 | 62.5° | 180.0° |
| C10 | C11 | O13 | H35 | 52.2° | 180.0° |
| C10 | O9 | C8 | C1 | 149.3° | 180.0° |
| C10 | O9 | C8 | H9 | 88.4° | 60.0° |
| C10 | O9 | C8 | H10 | 27.1° | 60.0° |
| O9 | C10 | H11 | H12 | 116.8° | 120.1° |
| O9 | C10 | C11 | H13 | 135.1° | 175.0° |
| O9 | C8 | C1 | H9 | 122.2° | 120.0° |
| O9 | C8 | C1 | H10 | 122.2° | 120.0° |
| O9 | C8 | C1 | C14 | 59.4° | 60.0° |
| O9 | C8 | C1 | C20 | 177.2° | 60.0° |
| O9 | C8 | C1 | C2 | 68.5° | 180.0° |
| O9 | C8 | H9 | H10 | 112.6° | 120.0° |
| C8 | O9 | C10 | H11 | 52.5° | 60.0° |
| C8 | O9 | C10 | H12 | 65.5° | 60.0° |
| C8 | C1 | C14 | C20 | 112.1° | 120.0° |
| C8 | C1 | C14 | C2 | 127.9° | 120.0° |
| C8 | C1 | C14 | O15 | 160.3° | 60.0° |
| C8 | C1 | C20 | C2 | 113.5° | 120.0° |
| C8 | C1 | C20 | O21 | 115.2° | 60.0° |
| C8 | C1 | C2 | O3 | 72.1° | 180.0° |
| C8 | C1 | C2 | H1 | 47.8° | 60.0° |
| C8 | C1 | C2 | H2 | 167.9° | 60.0° |
| C1 | C8 | H9 | H10 | 112.6° | 120.0° |
| C8 | C1 | C14 | H17 | 38.7° | 180.0° |
| C8 | C1 | C14 | H18 | 78.1° | 60.0° |
| C8 | C1 | C20 | H25 | 4.4° | 59.9° |
| C8 | C1 | C20 | H26 | 125.2° | 180.0° |
| C24 | C23 | O25 | C22 | 125.0° | 120.0° |
| C24 | C23 | O25 | H29 | 118.2° | 119.9° |
| C24 | C23 | C22 | H29 | 118.8° | 119.9° |
| C24 | C23 | C22 | O21 | 46.7° | 55.0° |
| C24 | C23 | C22 | H27 | 165.6° | 65.0° |
| C24 | C23 | C22 | H28 | 72.3° | 175.0° |
| C23 | C24 | H30 | H31 | 120.0° | 120.0° |
| C23 | C24 | H30 | H32 | 120.0° | 120.0° |
| C23 | C24 | H31 | H32 | 120.0° | 120.0° |
| C24 | C23 | O25 | H33 | 180.0° | 60.0° |
| O25 | C23 | C22 | H29 | 117.6° | 120.1° |
| O25 | C23 | C22 | O21 | 170.2° | 65.0° |
| O25 | C23 | C22 | H27 | 70.8° | 175.0° |
| O25 | C23 | C22 | H28 | 51.2° | 55.0° |
| O25 | C23 | C24 | H30 | 180.0° | 60.0° |
| O25 | C23 | C24 | H31 | 60.0° | 60.0° |
| O25 | C23 | C24 | H32 | 60.0° | 180.0° |
| C1 | C14 | O15 | H17 | 121.6° | 120.0° |
| C1 | C14 | O15 | H18 | 121.6° | 120.0° |
| C1 | C14 | O15 | C16 | 169.8° | 180.0° |
| C14 | C1 | C20 | C2 | 119.2° | 120.0° |
| C14 | C1 | C20 | O21 | 12.2° | 180.0° |
| C14 | C1 | C2 | O3 | 153.1° | 60.0° |
| C14 | C1 | C2 | H1 | 86.9° | 60.1° |
| C14 | C1 | C2 | H2 | 33.1° | 180.0° |
| C14 | C1 | C8 | H9 | 62.8° | 180.0° |
| C14 | C1 | C8 | H10 | 178.4° | 60.0° |
| C1 | C14 | H17 | H18 | 114.7° | 120.0° |
| C14 | C1 | C20 | H25 | 131.8° | 60.0° |
| C14 | C1 | C20 | H26 | 107.4° | 60.0° |
| C14 | O15 | C16 | C17 | 179.0° | 180.0° |
| O15 | C14 | C1 | C20 | 87.6° | 180.0° |
| O15 | C14 | C1 | C2 | 32.4° | 60.0° |
| O15 | C14 | H17 | H18 | 114.7° | 119.9° |
| C14 | O15 | C16 | H19 | 57.6° | 60.0° |
| C14 | O15 | C16 | H20 | 59.6° | 60.0° |
| O15 | C16 | C17 | H19 | 121.4° | 120.0° |
| O15 | C16 | C17 | H20 | 121.4° | 120.0° |
| O15 | C16 | C17 | O19 | 96.0° | 65.0° |
| O15 | C16 | C17 | C18 | 141.4° | 175.0° |
| C16 | O15 | C14 | H17 | 68.6° | 59.9° |
| C16 | O15 | C14 | H18 | 48.2° | 60.0° |
| O15 | C16 | H19 | H20 | 115.7° | 120.0° |
| O15 | C16 | C17 | H21 | 19.6° | 55.0° |
| C16 | C17 | O19 | C18 | 128.7° | 120.0° |
| C16 | C17 | O19 | H21 | 114.8° | 120.0° |
| C16 | C17 | C18 | H21 | 121.8° | 120.0° |
| C17 | C16 | H19 | H20 | 115.6° | 120.0° |
| C16 | C17 | C18 | H22 | 180.0° | 60.0° |
| C16 | C17 | C18 | H23 | 60.0° | 180.0° |
| C16 | C17 | C18 | H24 | 60.0° | 60.0° |
| C16 | C17 | O19 | H34 | 180.0° | 60.0° |
| C23 | C22 | O21 | H27 | 119.0° | 120.0° |
| C23 | C22 | O21 | H28 | 119.0° | 120.0° |
| C23 | C22 | O21 | C20 | 168.8° | 180.0° |
| C23 | C22 | H27 | H28 | 122.9° | 120.0° |
| C22 | C23 | C24 | H30 | 57.7° | 60.0° |
| C22 | C23 | C24 | H31 | 62.3° | 180.0° |
| C22 | C23 | C24 | H32 | 177.7° | 60.0° |
| C22 | C23 | O25 | H33 | 55.0° | 180.0° |
| C22 | O21 | C20 | C1 | 134.4° | 180.0° |
| C22 | O21 | C20 | H25 | 14.8° | 60.0° |
| C22 | O21 | C20 | H26 | 106.0° | 60.0° |
| O21 | C22 | H27 | H28 | 122.9° | 120.0° |
| O21 | C22 | C23 | H29 | 72.1° | 174.9° |
| C1 | C20 | O21 | H25 | 119.6° | 120.0° |
| C1 | C20 | O21 | H26 | 119.6° | 120.0° |
| C20 | C1 | C2 | O3 | 33.9° | 60.0° |
| C20 | C1 | C2 | H1 | 153.8° | 180.0° |
| C20 | C1 | C2 | H2 | 86.1° | 60.0° |
| C20 | C1 | C8 | H9 | 55.0° | 60.0° |
| C20 | C1 | C8 | H10 | 60.6° | 180.0° |
| C20 | C1 | C14 | H17 | 150.8° | 60.0° |
| C20 | C1 | C14 | H18 | 34.1° | 60.0° |
| C1 | C20 | H25 | H26 | 121.2° | 120.0° |
| C2 | C1 | C20 | O21 | 131.4° | 60.0° |
| C1 | C2 | O3 | H1 | 120.0° | 120.0° |
| C1 | C2 | O3 | H2 | 120.0° | 120.0° |
| C1 | C2 | O3 | C4 | 148.7° | 180.0° |
| C1 | C2 | H1 | H2 | 120.1° | 120.0° |
| C2 | C1 | C8 | H9 | 169.3° | 60.0° |
| C2 | C1 | C8 | H10 | 53.7° | 60.0° |
| C2 | C1 | C14 | H17 | 89.3° | 60.0° |
| C2 | C1 | C14 | H18 | 154.0° | 180.0° |
| C2 | C1 | C20 | H25 | 109.0° | 180.0° |
| C2 | C1 | C20 | H26 | 11.8° | 60.0° |
| O19 | C17 | C18 | H21 | 117.3° | 120.0° |
| O19 | C17 | C16 | H19 | 25.4° | 175.0° |
| O19 | C17 | C16 | H20 | 142.7° | 55.0° |
| O19 | C17 | C18 | H22 | 59.1° | 180.0° |
| O19 | C17 | C18 | H23 | 60.9° | 60.0° |
| O19 | C17 | C18 | H24 | 179.1° | 60.0° |
| O21 | C20 | H25 | H26 | 121.1° | 120.0° |
| C20 | O21 | C22 | H27 | 49.8° | 60.0° |
| C20 | O21 | C22 | H28 | 72.2° | 60.0° |
| C18 | C17 | C16 | H19 | 97.2° | 55.0° |
| C18 | C17 | C16 | H20 | 20.1° | 65.0° |
| C17 | C18 | H22 | H23 | 120.0° | 120.0° |
| C17 | C18 | H22 | H24 | 120.0° | 120.0° |
| C17 | C18 | H23 | H24 | 120.0° | 120.0° |
| C18 | C17 | O19 | H34 | 51.4° | 60.0° |
| C2 | O3 | C4 | C5 | 149.8° | 180.0° |
| O3 | C2 | H1 | H2 | 120.1° | 120.0° |
| C2 | O3 | C4 | H3 | 30.6° | 60.0° |
| C2 | O3 | C4 | H4 | 91.1° | 60.0° |
| C6 | C5 | C4 | O3 | 39.9° | 55.0° |
| C6 | C5 | C4 | O7 | 117.8° | 120.0° |
| C6 | C5 | C4 | H5 | 122.5° | 120.1° |
| C6 | C5 | O7 | H5 | 118.6° | 120.0° |
| C6 | C5 | C4 | H3 | 79.3° | 175.0° |
| C6 | C5 | C4 | H4 | 159.0° | 65.0° |
| C5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C5 | C6 | H6 | H8 | 120.0° | 119.9° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C6 | C5 | O7 | H36 | 180.0° | 60.0° |
| O3 | C4 | C5 | H3 | 119.2° | 120.0° |
| O3 | C4 | C5 | H4 | 119.1° | 120.0° |
| O3 | C4 | C5 | O7 | 77.9° | 65.0° |
| C4 | O3 | C2 | H1 | 28.7° | 60.0° |
| C4 | O3 | C2 | H2 | 91.3° | 60.0° |
| O3 | C4 | H3 | H4 | 122.5° | 120.1° |
| O3 | C4 | C5 | H5 | 162.4° | 175.1° |
| C4 | C5 | O7 | H5 | 118.8° | 120.0° |
| C5 | C4 | H3 | H4 | 122.5° | 119.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | H7 | 60.0° | 60.0° |
| C4 | C5 | C6 | H8 | 60.0° | 60.0° |
| C4 | C5 | O7 | H36 | 57.4° | 180.0° |
| O7 | C5 | C4 | H3 | 162.9° | 55.0° |
| O7 | C5 | C4 | H4 | 41.2° | 175.0° |
| O7 | C5 | C6 | H6 | 61.9° | 60.0° |
| O7 | C5 | C6 | H7 | 58.1° | 60.0° |
| O7 | C5 | C6 | H8 | 178.1° | 180.0° |
| H3 | C4 | C5 | H5 | 43.2° | 64.9° |
| H4 | C4 | C5 | H5 | 78.5° | 55.0° |
| H5 | C5 | C6 | H6 | 57.5° | 60.0° |
| H5 | C5 | C6 | H7 | 177.5° | 180.0° |
| H5 | C5 | C6 | H8 | 62.5° | 60.0° |
| H5 | C5 | O7 | H36 | 61.4° | 60.1° |
| H6 | C6 | H7 | H8 | 120.0° | 120.1° |
| H11 | C10 | C11 | H13 | 14.1° | 65.0° |
| H12 | C10 | C11 | H13 | 103.9° | 55.0° |
| H13 | C11 | C12 | H14 | 62.6° | 179.9° |
| H13 | C11 | C12 | H15 | 57.4° | 60.0° |
| H13 | C11 | C12 | H16 | 177.4° | 60.0° |
| H13 | C11 | O13 | H35 | 63.4° | 60.0° |
| H14 | C12 | H15 | H16 | 120.0° | 119.9° |
| H19 | C16 | C17 | H21 | 141.0° | 65.0° |
| H20 | C16 | C17 | H21 | 101.7° | 175.0° |
| H21 | C17 | C18 | H22 | 58.2° | 60.0° |
| H21 | C17 | C18 | H23 | 178.2° | 60.0° |
| H21 | C17 | C18 | H24 | 61.8° | 180.0° |
| H21 | C17 | O19 | H34 | 65.2° | 179.9° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| H27 | C22 | C23 | H29 | 46.8° | 55.0° |
| H28 | C22 | C23 | H29 | 168.9° | 65.1° |
| H29 | C23 | C24 | H30 | 61.1° | 180.0° |
| H29 | C23 | C24 | H31 | 178.9° | 60.0° |
| H29 | C23 | C24 | H32 | 58.9° | 60.0° |
| H29 | C23 | O25 | H33 | 61.8° | 59.9° |
| H30 | C24 | H31 | H32 | 120.0° | 120.0° |
