XZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C12 | sing | 1.43Å | 1.42Å | |
| O5 | C14 | doub | 1.21Å | 1.20Å | |
| C13 | O4 | sing | 1.45Å | 1.43Å | |
| C13 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | O4 | sing | 1.34Å | 1.35Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| O1 | C10 | sing | 1.45Å | 1.47Å | |
| O1 | C11 | sing | 1.34Å | 1.36Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C18 | sing | 1.53Å | 1.52Å | |
| C11 | O2 | doub | 1.22Å | 1.20Å | |
| C11 | C8 | sing | 1.47Å | 1.45Å | |
| C9 | C8 | sing | 1.52Å | 1.50Å | |
| C8 | C7 | doub | 1.33Å | 1.33Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C5 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.08Å | 1.08Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C12 | C10 | 112.4° | 109.5° |
| O3 | C12 | H4 | 108.7° | 109.5° |
| O3 | C12 | H5 | 108.7° | 109.5° |
| C12 | O3 | H38 | 109.5° | 113.9° |
| O5 | C14 | O4 | 123.1° | 120.0° |
| O5 | C14 | C15 | 125.3° | 120.0° |
| O4 | C13 | C10 | 106.8° | 109.5° |
| C13 | O4 | C14 | 116.4° | 117.0° |
| O4 | C13 | H6 | 110.1° | 109.5° |
| O4 | C13 | H7 | 110.2° | 109.5° |
| C13 | C10 | C12 | 110.7° | 110.0° |
| C13 | C10 | O1 | 107.4° | 110.1° |
| C13 | C10 | C9 | 112.0° | 110.0° |
| C10 | C13 | H6 | 110.1° | 109.5° |
| C10 | C13 | H7 | 110.2° | 109.4° |
| C12 | C10 | O1 | 108.0° | 110.0° |
| C12 | C10 | C9 | 112.9° | 110.1° |
| C10 | C12 | H4 | 108.7° | 109.4° |
| C10 | C12 | H5 | 108.7° | 109.5° |
| C16 | C15 | C14 | 108.8° | 109.5° |
| C16 | C15 | C17 | 109.9° | 109.5° |
| C16 | C15 | C18 | 109.8° | 109.4° |
| C15 | C16 | H8 | 109.5° | 109.5° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 109.5° | 109.5° |
| O4 | C14 | C15 | 111.6° | 120.0° |
| C14 | C15 | C17 | 109.4° | 109.5° |
| C14 | C15 | C18 | 109.1° | 109.5° |
| C10 | O1 | C11 | 111.6° | 111.5° |
| O1 | C10 | C9 | 105.6° | 106.5° |
| O1 | C11 | O2 | 120.9° | 124.3° |
| O1 | C11 | C8 | 109.6° | 111.5° |
| C10 | C9 | C8 | 103.8° | 104.1° |
| C10 | C9 | H37 | 110.9° | 110.6° |
| C10 | C9 | H36 | 110.9° | 110.5° |
| C17 | C15 | C18 | 109.8° | 109.5° |
| C15 | C17 | H11 | 109.5° | 109.5° |
| C15 | C17 | H12 | 109.5° | 109.5° |
| C15 | C17 | H13 | 109.5° | 109.4° |
| C15 | C18 | H14 | 109.5° | 109.5° |
| C15 | C18 | H15 | 109.5° | 109.5° |
| C15 | C18 | H16 | 109.5° | 109.5° |
| O2 | C11 | C8 | 129.5° | 124.3° |
| C11 | C8 | C9 | 108.6° | 106.4° |
| C11 | C8 | C7 | 123.5° | 126.8° |
| C9 | C8 | C7 | 127.9° | 126.8° |
| C8 | C9 | H37 | 110.9° | 110.5° |
| C8 | C9 | H36 | 110.8° | 110.5° |
| C8 | C7 | C6 | 125.5° | 120.0° |
| C8 | C7 | H35 | 117.2° | 120.0° |
| C7 | C6 | C5 | 113.5° | 109.5° |
| C7 | C6 | H33 | 108.5° | 109.4° |
| C7 | C6 | H34 | 108.5° | 109.4° |
| C6 | C7 | H35 | 117.2° | 120.0° |
| C6 | C5 | C19 | 109.9° | 109.5° |
| C6 | C5 | C4 | 110.2° | 109.5° |
| C6 | C5 | H32 | 108.1° | 109.5° |
| C5 | C6 | H33 | 108.4° | 109.5° |
| C5 | C6 | H34 | 108.4° | 109.5° |
| C22 | C20 | C19 | 110.9° | 109.5° |
| C22 | C20 | C21 | 110.5° | 109.5° |
| C22 | C20 | H20 | 107.6° | 109.5° |
| C20 | C22 | H24 | 109.5° | 109.5° |
| C20 | C22 | H25 | 109.5° | 109.5° |
| C20 | C22 | H26 | 109.5° | 109.5° |
| C20 | C19 | C5 | 117.9° | 109.5° |
| C19 | C20 | C21 | 112.9° | 109.5° |
| C20 | C19 | H17 | 107.3° | 109.5° |
| C20 | C19 | H18 | 107.3° | 109.5° |
| C19 | C20 | H20 | 107.3° | 109.4° |
| C19 | C5 | C4 | 112.5° | 109.4° |
| C5 | C19 | H17 | 107.3° | 109.5° |
| C5 | C19 | H18 | 107.3° | 109.4° |
| C19 | C5 | H32 | 108.0° | 109.5° |
| C21 | C20 | H20 | 107.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C5 | C4 | C2 | 116.0° | 109.5° |
| C5 | C4 | H30 | 107.8° | 109.5° |
| C5 | C4 | H31 | 107.8° | 109.4° |
| C4 | C5 | H32 | 108.0° | 109.5° |
| C4 | C2 | C1 | 110.9° | 109.5° |
| C4 | C2 | C3 | 110.5° | 109.5° |
| C4 | C2 | H19 | 108.3° | 109.5° |
| C2 | C4 | H30 | 107.8° | 109.5° |
| C2 | C4 | H31 | 107.8° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H19 | 108.4° | 109.4° |
| C3 | C2 | H19 | 108.5° | 109.5° |
| C2 | C3 | H27 | 109.5° | 109.5° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| C2 | C3 | H29 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H10 | 109.4° | 109.4° |
| H9 | C16 | H10 | 109.4° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H13 | 109.5° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H16 | 109.4° | 109.4° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.4° | 109.5° |
| H24 | C22 | H26 | 109.5° | 109.4° |
| H25 | C22 | H26 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H27 | C3 | H29 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.5° | 109.5° |
| H30 | C4 | H31 | 109.5° | 109.5° |
| H33 | C6 | H34 | 109.5° | 109.5° |
| H37 | C9 | H36 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C12 | C10 | C13 | 57.3° | 58.6° |
| O3 | C12 | C10 | H4 | 120.4° | 120.0° |
| O3 | C12 | C10 | H5 | 120.4° | 120.0° |
| O3 | C12 | C10 | O1 | 60.0° | 62.9° |
| O3 | C12 | C10 | C9 | 176.4° | 180.0° |
| O3 | C12 | H4 | H5 | 118.7° | 120.0° |
| O5 | C14 | O4 | C13 | 1.7° | 0.0° |
| O5 | C14 | C15 | C16 | 25.5° | 120.0° |
| O5 | C14 | O4 | C15 | 179.0° | 180.0° |
| O5 | C14 | C15 | C17 | 145.6° | 0.0° |
| O5 | C14 | C15 | C18 | 94.3° | 120.0° |
| O4 | C13 | C10 | H6 | 119.6° | 120.0° |
| O4 | C13 | C10 | H7 | 119.6° | 120.0° |
| O4 | C13 | C10 | C12 | 177.4° | 53.6° |
| C13 | O4 | C14 | C15 | 179.3° | 180.0° |
| O4 | C13 | C10 | O1 | 59.7° | 67.9° |
| O4 | C13 | C10 | C9 | 55.7° | 175.0° |
| O4 | C13 | H6 | H7 | 121.3° | 120.0° |
| C13 | C10 | C12 | O1 | 117.3° | 121.5° |
| C13 | C10 | C12 | C9 | 126.4° | 121.4° |
| C10 | C13 | O4 | C14 | 167.1° | 180.0° |
| C13 | C10 | O1 | C9 | 119.6° | 119.3° |
| C13 | C10 | O1 | C11 | 112.4° | 119.3° |
| C13 | C10 | C9 | C8 | 108.5° | 119.3° |
| C13 | C10 | C12 | H4 | 63.1° | 178.6° |
| C13 | C10 | C12 | H5 | 177.7° | 61.4° |
| C10 | C13 | H6 | H7 | 121.3° | 120.0° |
| C13 | C10 | C9 | H37 | 10.6° | 0.7° |
| C13 | C10 | C9 | H36 | 132.5° | 122.1° |
| C12 | C10 | O1 | C9 | 121.0° | 119.3° |
| C12 | C10 | O1 | C11 | 128.2° | 119.3° |
| C12 | C10 | C9 | C8 | 125.9° | 119.3° |
| C10 | C12 | H4 | H5 | 118.7° | 120.0° |
| C12 | C10 | C13 | H6 | 63.0° | 66.5° |
| C12 | C10 | C13 | H7 | 57.8° | 173.6° |
| C12 | C10 | C9 | H37 | 115.0° | 122.1° |
| C10 | C12 | O3 | H38 | 180.0° | 180.0° |
| C12 | C10 | C9 | H36 | 6.8° | 0.7° |
| C16 | C15 | C14 | O4 | 155.5° | 60.0° |
| C16 | C15 | C14 | C17 | 120.1° | 120.0° |
| C16 | C15 | C14 | C18 | 119.8° | 119.9° |
| C16 | C15 | C17 | C18 | 120.9° | 120.0° |
| C15 | C16 | H8 | H9 | 120.0° | 120.0° |
| C15 | C16 | H8 | H10 | 120.0° | 120.0° |
| C15 | C16 | H9 | H10 | 120.0° | 120.0° |
| C16 | C15 | C17 | H11 | 180.0° | 180.0° |
| C16 | C15 | C17 | H12 | 60.0° | 60.0° |
| C16 | C15 | C17 | H13 | 60.0° | 60.0° |
| C16 | C15 | C18 | H14 | 180.0° | 60.0° |
| C16 | C15 | C18 | H15 | 60.0° | 60.0° |
| C16 | C15 | C18 | H16 | 60.0° | 180.0° |
| O4 | C14 | C15 | C17 | 35.4° | 180.0° |
| O4 | C14 | C15 | C18 | 84.7° | 60.0° |
| C14 | O4 | C13 | H6 | 47.5° | 60.0° |
| C14 | O4 | C13 | H7 | 73.3° | 60.0° |
| C14 | C15 | C17 | C18 | 119.7° | 120.0° |
| C14 | C15 | C16 | H8 | 180.0° | 60.0° |
| C14 | C15 | C16 | H9 | 60.0° | 180.0° |
| C14 | C15 | C16 | H10 | 60.0° | 60.0° |
| C14 | C15 | C17 | H11 | 60.6° | 59.9° |
| C14 | C15 | C17 | H12 | 59.5° | 180.0° |
| C14 | C15 | C17 | H13 | 179.4° | 60.0° |
| C14 | C15 | C18 | H14 | 60.8° | 59.9° |
| C14 | C15 | C18 | H15 | 179.1° | 180.0° |
| C14 | C15 | C18 | H16 | 59.1° | 60.0° |
| C10 | O1 | C11 | O2 | 178.0° | 180.0° |
| C10 | O1 | C11 | C8 | 3.1° | 0.0° |
| O1 | C10 | C9 | C8 | 8.1° | 0.0° |
| O1 | C10 | C12 | H4 | 179.5° | 57.1° |
| O1 | C10 | C12 | H5 | 60.4° | 177.1° |
| O1 | C10 | C13 | H6 | 179.3° | 172.1° |
| O1 | C10 | C13 | H7 | 59.9° | 52.1° |
| O1 | C10 | C9 | H37 | 127.2° | 118.7° |
| O1 | C10 | C9 | H36 | 111.0° | 118.6° |
| C11 | O1 | C10 | C9 | 7.2° | 0.0° |
| O1 | C11 | O2 | C8 | 178.7° | 180.0° |
| O1 | C11 | C8 | C9 | 2.5° | 0.0° |
| O1 | C11 | C8 | C7 | 179.3° | 180.0° |
| C10 | C9 | C8 | C11 | 6.6° | 0.0° |
| C10 | C9 | C8 | H37 | 119.1° | 118.7° |
| C10 | C9 | C8 | H36 | 119.1° | 118.6° |
| C10 | C9 | C8 | C7 | 175.3° | 180.0° |
| C9 | C10 | C12 | H4 | 63.2° | 60.0° |
| C9 | C10 | C12 | H5 | 55.9° | 60.0° |
| C9 | C10 | C13 | H6 | 63.8° | 55.0° |
| C9 | C10 | C13 | H7 | 175.3° | 65.0° |
| C10 | C9 | H37 | H36 | 122.6° | 122.7° |
| C17 | C15 | C16 | H8 | 60.2° | 60.0° |
| C17 | C15 | C16 | H9 | 59.8° | 60.0° |
| C17 | C15 | C16 | H10 | 179.8° | 180.0° |
| C15 | C17 | H11 | H12 | 120.0° | 120.0° |
| C15 | C17 | H11 | H13 | 120.0° | 119.9° |
| C15 | C17 | H12 | H13 | 120.0° | 120.0° |
| C17 | C15 | C18 | H14 | 59.1° | 180.0° |
| C17 | C15 | C18 | H15 | 61.0° | 60.0° |
| C17 | C15 | C18 | H16 | 179.0° | 60.0° |
| C18 | C15 | C16 | H8 | 60.7° | 180.0° |
| C18 | C15 | C16 | H9 | 179.3° | 60.0° |
| C18 | C15 | C16 | H10 | 59.3° | 60.0° |
| C18 | C15 | C17 | H11 | 59.1° | 60.1° |
| C18 | C15 | C17 | H12 | 179.2° | 60.0° |
| C18 | C15 | C17 | H13 | 60.9° | 180.0° |
| C15 | C18 | H14 | H15 | 120.0° | 120.0° |
| C15 | C18 | H14 | H16 | 120.0° | 120.0° |
| C15 | C18 | H15 | H16 | 120.0° | 120.0° |
| O2 | C11 | C8 | C9 | 176.3° | 180.0° |
| O2 | C11 | C8 | C7 | 1.9° | 0.0° |
| C11 | C8 | C9 | C7 | 178.1° | 180.0° |
| C11 | C8 | C7 | C6 | 172.6° | 174.4° |
| C11 | C8 | C7 | H35 | 7.4° | 5.6° |
| C11 | C8 | C9 | H37 | 125.7° | 118.7° |
| C11 | C8 | C9 | H36 | 112.5° | 118.6° |
| C9 | C8 | C7 | C6 | 5.3° | 5.6° |
| C9 | C8 | C7 | H35 | 174.7° | 174.4° |
| C8 | C9 | H37 | H36 | 122.6° | 122.6° |
| C8 | C7 | C6 | H35 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 129.4° | 125.6° |
| C8 | C7 | C6 | H33 | 8.8° | 5.6° |
| C8 | C7 | C6 | H34 | 110.0° | 114.4° |
| C7 | C8 | C9 | H37 | 56.2° | 61.3° |
| C7 | C8 | C9 | H36 | 65.6° | 61.4° |
| C7 | C6 | C5 | H33 | 120.6° | 120.0° |
| C7 | C6 | C5 | H34 | 120.6° | 120.0° |
| C7 | C6 | C5 | C19 | 41.4° | 174.6° |
| C7 | C6 | C5 | C4 | 166.0° | 65.5° |
| C7 | C6 | C5 | H32 | 76.2° | 54.5° |
| C7 | C6 | H33 | H34 | 118.2° | 119.9° |
| C6 | C5 | C19 | C20 | 150.1° | 177.9° |
| C6 | C5 | C19 | C4 | 123.3° | 120.0° |
| C6 | C5 | C19 | H32 | 117.7° | 120.1° |
| C6 | C5 | C4 | H32 | 117.8° | 120.0° |
| C6 | C5 | C4 | C2 | 74.0° | 62.8° |
| C6 | C5 | C19 | H17 | 88.7° | 62.0° |
| C6 | C5 | C19 | H18 | 28.9° | 57.9° |
| C6 | C5 | C4 | H30 | 165.1° | 177.2° |
| C6 | C5 | C4 | H31 | 47.0° | 57.1° |
| C5 | C6 | H33 | H34 | 118.1° | 120.1° |
| C5 | C6 | C7 | H35 | 50.6° | 54.4° |
| C22 | C20 | C19 | C21 | 124.6° | 120.0° |
| C22 | C20 | C19 | H20 | 117.2° | 120.0° |
| C22 | C20 | C19 | C5 | 116.9° | 175.0° |
| C22 | C20 | C21 | H20 | 117.1° | 120.0° |
| C22 | C20 | C19 | H17 | 121.8° | 55.0° |
| C22 | C20 | C19 | H18 | 4.2° | 65.0° |
| C22 | C20 | C21 | H21 | 180.0° | 60.1° |
| C22 | C20 | C21 | H22 | 60.0° | 180.0° |
| C22 | C20 | C21 | H23 | 60.0° | 60.0° |
| C20 | C22 | H24 | H25 | 120.0° | 120.0° |
| C20 | C22 | H24 | H26 | 120.0° | 120.0° |
| C20 | C22 | H25 | H26 | 120.0° | 120.0° |
| C20 | C19 | C5 | H17 | 121.2° | 120.1° |
| C20 | C19 | C5 | H18 | 121.2° | 120.0° |
| C19 | C20 | C21 | H20 | 118.1° | 120.0° |
| C20 | C19 | C5 | C4 | 86.7° | 62.1° |
| C20 | C19 | H17 | H18 | 116.2° | 120.0° |
| C19 | C20 | C21 | H21 | 55.2° | 180.0° |
| C19 | C20 | C21 | H22 | 64.8° | 60.0° |
| C19 | C20 | C21 | H23 | 175.2° | 60.0° |
| C19 | C20 | C22 | H24 | 180.0° | 60.0° |
| C19 | C20 | C22 | H25 | 60.0° | 180.0° |
| C19 | C20 | C22 | H26 | 60.0° | 60.0° |
| C20 | C19 | C5 | H32 | 32.4° | 57.8° |
| C5 | C19 | C20 | C21 | 7.6° | 65.0° |
| C19 | C5 | C4 | H32 | 119.1° | 120.0° |
| C19 | C5 | C4 | C2 | 162.9° | 57.1° |
| C5 | C19 | H17 | H18 | 116.2° | 119.9° |
| C5 | C19 | C20 | H20 | 125.9° | 55.1° |
| C19 | C5 | C4 | H30 | 42.0° | 62.8° |
| C19 | C5 | C4 | H31 | 76.1° | 177.1° |
| C19 | C5 | C6 | H33 | 79.2° | 65.5° |
| C19 | C5 | C6 | H34 | 162.0° | 54.6° |
| C21 | C20 | C19 | H17 | 113.6° | 175.0° |
| C21 | C20 | C19 | H18 | 128.8° | 55.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H23 | 120.0° | 120.1° |
| C20 | C21 | H22 | H23 | 120.0° | 120.0° |
| C21 | C20 | C22 | H24 | 54.1° | 180.0° |
| C21 | C20 | C22 | H25 | 65.9° | 60.0° |
| C21 | C20 | C22 | H26 | 174.1° | 60.0° |
| C5 | C4 | C2 | H30 | 121.0° | 120.0° |
| C5 | C4 | C2 | H31 | 120.9° | 119.9° |
| C5 | C4 | C2 | C1 | 173.1° | 148.4° |
| C5 | C4 | C2 | C3 | 64.5° | 91.6° |
| C4 | C5 | C19 | H17 | 34.6° | 57.9° |
| C4 | C5 | C19 | H18 | 152.2° | 177.9° |
| C5 | C4 | C2 | H19 | 54.2° | 28.5° |
| C5 | C4 | H30 | H31 | 117.0° | 120.0° |
| C4 | C5 | C6 | H33 | 45.4° | 54.5° |
| C4 | C5 | C6 | H34 | 73.4° | 174.5° |
| C4 | C2 | C1 | C3 | 122.6° | 120.0° |
| C4 | C2 | C1 | H19 | 118.8° | 120.0° |
| C4 | C2 | C3 | H19 | 118.6° | 120.1° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | H2 | 60.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.0° |
| C4 | C2 | C3 | H27 | 180.0° | 167.0° |
| C4 | C2 | C3 | H28 | 60.0° | 47.0° |
| C4 | C2 | C3 | H29 | 60.0° | 73.0° |
| C2 | C4 | H30 | H31 | 117.0° | 120.0° |
| C2 | C4 | C5 | H32 | 43.9° | 177.1° |
| C1 | C2 | C3 | H19 | 118.5° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H27 | 57.1° | 47.1° |
| C1 | C2 | C3 | H28 | 177.1° | 73.0° |
| C1 | C2 | C3 | H29 | 62.9° | 167.0° |
| C1 | C2 | C4 | H30 | 65.9° | 91.6° |
| C1 | C2 | C4 | H31 | 52.2° | 28.5° |
| C3 | C2 | C1 | H1 | 57.4° | 60.0° |
| C3 | C2 | C1 | H2 | 62.6° | 180.0° |
| C3 | C2 | C1 | H3 | 177.4° | 60.0° |
| C2 | C3 | H27 | H28 | 120.0° | 120.0° |
| C2 | C3 | H27 | H29 | 120.0° | 120.0° |
| C2 | C3 | H28 | H29 | 120.0° | 120.0° |
| C3 | C2 | C4 | H30 | 56.5° | 28.4° |
| C3 | C2 | C4 | H31 | 174.6° | 148.4° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H1 | C1 | C2 | H19 | 61.2° | 60.0° |
| H2 | C1 | C2 | H19 | 178.8° | 60.0° |
| H3 | C1 | C2 | H19 | 58.8° | 180.0° |
| H4 | C12 | O3 | H38 | 59.6° | 60.0° |
| H5 | C12 | O3 | H38 | 59.6° | 60.0° |
| H8 | C16 | H9 | H10 | 119.9° | 120.0° |
| H11 | C17 | H12 | H13 | 120.0° | 120.0° |
| H14 | C18 | H15 | H16 | 120.0° | 119.9° |
| H17 | C19 | C20 | H20 | 4.7° | 65.0° |
| H17 | C19 | C5 | H32 | 153.7° | 177.9° |
| H18 | C19 | C20 | H20 | 112.9° | 175.0° |
| H18 | C19 | C5 | H32 | 88.7° | 62.2° |
| H19 | C2 | C3 | H27 | 61.4° | 72.9° |
| H19 | C2 | C3 | H28 | 58.6° | 167.1° |
| H19 | C2 | C3 | H29 | 178.6° | 47.1° |
| H19 | C2 | C4 | H30 | 175.2° | 148.5° |
| H19 | C2 | C4 | H31 | 66.7° | 91.5° |
| H20 | C20 | C21 | H21 | 62.9° | 60.0° |
| H20 | C20 | C21 | H22 | 177.1° | 60.0° |
| H20 | C20 | C21 | H23 | 57.1° | 180.0° |
| H20 | C20 | C22 | H24 | 63.0° | 60.0° |
| H20 | C20 | C22 | H25 | 177.0° | 60.0° |
| H20 | C20 | C22 | H26 | 57.1° | 180.0° |
| H21 | C21 | H22 | H23 | 120.0° | 120.0° |
| H24 | C22 | H25 | H26 | 120.0° | 120.0° |
| H27 | C3 | H28 | H29 | 120.0° | 120.0° |
| H30 | C4 | C5 | H32 | 77.1° | 57.1° |
| H31 | C4 | C5 | H32 | 164.8° | 62.9° |
| H32 | C5 | C6 | H33 | 163.2° | 174.5° |
| H32 | C5 | C6 | H34 | 44.4° | 65.4° |
| H33 | C6 | C7 | H35 | 171.2° | 174.4° |
| H34 | C6 | C7 | H35 | 70.0° | 65.6° |
