PJZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C26 | doub | 1.21Å | 1.37Å | |
| C26 | O3 | sing | 1.34Å | 1.37Å | |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C24 | C23 | sing | 1.51Å | 1.49Å | |
| O3 | C3 | sing | 1.45Å | 1.38Å | |
| C23 | C22 | doub | 1.34Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C22 | C21 | sing | 1.46Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | O2 | sing | 1.45Å | 1.38Å | |
| C21 | C20 | doub | 1.36Å | 1.49Å | |
| C20 | C19 | sing | 1.41Å | 1.49Å | |
| O2 | C46 | sing | 1.34Å | 1.38Å | |
| O47 | C46 | doub | 1.21Å | 1.37Å | |
| C46 | C45 | sing | 1.51Å | 1.49Å | |
| C19 | C18 | doub | 1.36Å | 1.49Å | |
| C45 | C44 | sing | 1.53Å | 1.49Å | |
| C18 | C17 | sing | 1.41Å | 1.49Å | |
| C44 | C43 | sing | 1.53Å | 1.49Å | |
| C17 | C16 | doub | 1.36Å | 1.49Å | |
| C16 | C15 | sing | 1.46Å | 1.49Å | |
| C43 | C42 | sing | 1.53Å | 1.49Å | |
| C42 | C41 | sing | 1.53Å | 1.49Å | |
| C15 | C14 | doub | 1.34Å | 1.48Å | |
| C14 | C13 | sing | 1.51Å | 1.48Å | |
| C41 | C40 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C40 | C39 | sing | 1.53Å | 1.49Å | |
| C39 | C38 | sing | 1.53Å | 1.49Å | |
| C38 | C37 | sing | 1.53Å | 1.49Å | |
| C37 | C36 | sing | 1.53Å | 1.49Å | |
| C36 | C35 | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C26 | O3 | 118.4° | 120.0° |
| O28 | C26 | C25 | 118.5° | 120.0° |
| O3 | C26 | C25 | 118.2° | 120.0° |
| C26 | O3 | C3 | 119.5° | 117.0° |
| C26 | C25 | C24 | 119.7° | 109.5° |
| C26 | C25 | H24 | 106.8° | 109.5° |
| C26 | C25 | H25 | 106.8° | 109.5° |
| C25 | C24 | C23 | 118.9° | 109.5° |
| C25 | C24 | H22 | 107.1° | 109.5° |
| C25 | C24 | H23 | 107.1° | 109.5° |
| C24 | C25 | H24 | 106.9° | 109.5° |
| C24 | C25 | H25 | 106.9° | 109.5° |
| C24 | C23 | C22 | 118.9° | 120.0° |
| C24 | C23 | H21 | 120.5° | 119.9° |
| C23 | C24 | H22 | 107.1° | 109.5° |
| C23 | C24 | H23 | 107.1° | 109.5° |
| O3 | C3 | C2 | 119.2° | 109.5° |
| O3 | C3 | H5 | 107.0° | 109.5° |
| O3 | C3 | H6 | 107.0° | 109.4° |
| C23 | C22 | C21 | 120.0° | 120.0° |
| C23 | C22 | H20 | 120.0° | 120.0° |
| C22 | C23 | H21 | 120.5° | 120.1° |
| C3 | C2 | C1 | 118.8° | 109.5° |
| C3 | C2 | O2 | 121.4° | 109.5° |
| C3 | C2 | H4 | 92.0° | 109.5° |
| C2 | C3 | H5 | 107.0° | 109.5° |
| C2 | C3 | H6 | 107.0° | 109.5° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C22 | C21 | H19 | 120.0° | 120.0° |
| C21 | C22 | H20 | 120.0° | 120.0° |
| C1 | C2 | O2 | 119.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 92.0° | 109.4° |
| C2 | O2 | C46 | 121.7° | 117.0° |
| O2 | C2 | H4 | 92.2° | 109.4° |
| C21 | C20 | C19 | 119.2° | 119.9° |
| C21 | C20 | H18 | 120.4° | 120.0° |
| C20 | C21 | H19 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.0° | 120.0° |
| C20 | C19 | H17 | 120.5° | 120.0° |
| C19 | C20 | H18 | 120.4° | 120.0° |
| O2 | C46 | O47 | 118.3° | 120.0° |
| O2 | C46 | C45 | 117.9° | 120.0° |
| O47 | C46 | C45 | 117.5° | 120.0° |
| C46 | C45 | C44 | 119.7° | 109.5° |
| C46 | C45 | H39 | 106.8° | 109.5° |
| C46 | C45 | H40 | 106.9° | 109.5° |
| C19 | C18 | C17 | 119.2° | 120.0° |
| C19 | C18 | H16 | 120.4° | 120.0° |
| C18 | C19 | H17 | 120.5° | 120.0° |
| C45 | C44 | C43 | 120.1° | 109.5° |
| C45 | C44 | H37 | 106.7° | 109.5° |
| C45 | C44 | H38 | 106.8° | 109.5° |
| C44 | C45 | H39 | 106.9° | 109.5° |
| C44 | C45 | H40 | 106.8° | 109.4° |
| C18 | C17 | C16 | 119.5° | 120.0° |
| C18 | C17 | H15 | 120.3° | 120.0° |
| C17 | C18 | H16 | 120.4° | 120.0° |
| C44 | C43 | C42 | 120.3° | 109.4° |
| C44 | C43 | H36 | 106.7° | 109.5° |
| C43 | C44 | H37 | 106.8° | 109.5° |
| C43 | C44 | H38 | 106.7° | 109.4° |
| C44 | C43 | H48 | 106.7° | 109.5° |
| C17 | C16 | C15 | 118.3° | 120.0° |
| C17 | C16 | H14 | 120.9° | 120.0° |
| C16 | C17 | H15 | 120.3° | 120.0° |
| C16 | C15 | C14 | 119.1° | 120.0° |
| C16 | C15 | H13 | 120.5° | 120.0° |
| C15 | C16 | H14 | 120.9° | 120.0° |
| C43 | C42 | C41 | 119.6° | 109.4° |
| C43 | C42 | H35 | 106.9° | 109.5° |
| C42 | C43 | H36 | 106.7° | 109.5° |
| C43 | C42 | H47 | 106.9° | 109.5° |
| C42 | C43 | H48 | 106.7° | 109.5° |
| C42 | C41 | C40 | 120.0° | 109.5° |
| C42 | C41 | H34 | 106.8° | 109.5° |
| C41 | C42 | H35 | 106.9° | 109.5° |
| C42 | C41 | H46 | 106.8° | 109.5° |
| C41 | C42 | H47 | 106.9° | 109.5° |
| C15 | C14 | C13 | 118.7° | 120.0° |
| C15 | C14 | H12 | 120.7° | 120.0° |
| C14 | C15 | H13 | 120.4° | 120.0° |
| C14 | C13 | C12 | 115.2° | 109.5° |
| C14 | C13 | H10 | 108.0° | 109.5° |
| C14 | C13 | H11 | 108.0° | 109.5° |
| C13 | C14 | H12 | 120.6° | 120.0° |
| C41 | C40 | C39 | 120.4° | 109.5° |
| C41 | C40 | H33 | 106.7° | 109.5° |
| C40 | C41 | H34 | 106.8° | 109.5° |
| C41 | C40 | H45 | 106.7° | 109.5° |
| C40 | C41 | H46 | 106.8° | 109.4° |
| C13 | C12 | H7 | 109.5° | 109.4° |
| C13 | C12 | H8 | 109.5° | 109.4° |
| C13 | C12 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 108.0° | 109.5° |
| C12 | C13 | H11 | 108.0° | 109.4° |
| C40 | C39 | C38 | 119.5° | 109.5° |
| C40 | C39 | H32 | 106.9° | 109.5° |
| C39 | C40 | H33 | 106.7° | 109.5° |
| C40 | C39 | H44 | 106.9° | 109.5° |
| C39 | C40 | H45 | 106.7° | 109.5° |
| C39 | C38 | C37 | 120.6° | 109.5° |
| C39 | C38 | H31 | 106.6° | 109.5° |
| C38 | C39 | H32 | 106.9° | 109.5° |
| C39 | C38 | H43 | 106.6° | 109.5° |
| C38 | C39 | H44 | 106.9° | 109.4° |
| C38 | C37 | C36 | 119.2° | 109.5° |
| C38 | C37 | H30 | 107.0° | 109.5° |
| C37 | C38 | H31 | 106.6° | 109.5° |
| C38 | C37 | H42 | 107.0° | 109.4° |
| C37 | C38 | H43 | 106.6° | 109.4° |
| C37 | C36 | C35 | 119.8° | 109.5° |
| C37 | C36 | H29 | 106.8° | 109.5° |
| C36 | C37 | H30 | 107.0° | 109.5° |
| C37 | C36 | H41 | 106.8° | 109.5° |
| C36 | C37 | H42 | 107.0° | 109.5° |
| C36 | C35 | H26 | 109.5° | 109.4° |
| C36 | C35 | H27 | 109.5° | 109.5° |
| C36 | C35 | H28 | 109.5° | 109.5° |
| C35 | C36 | H29 | 106.8° | 109.4° |
| C35 | C36 | H41 | 106.8° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H7 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.5° | 109.4° |
| H26 | C35 | H28 | 109.5° | 109.5° |
| H27 | C35 | H28 | 109.5° | 109.5° |
| H29 | C36 | H41 | 109.4° | 109.4° |
| H30 | C37 | H42 | 109.4° | 109.5° |
| H31 | C38 | H43 | 109.5° | 109.5° |
| H32 | C39 | H44 | 109.5° | 109.4° |
| H33 | C40 | H45 | 109.4° | 109.4° |
| H34 | C41 | H46 | 109.5° | 109.5° |
| H35 | C42 | H47 | 109.4° | 109.5° |
| H36 | C43 | H48 | 109.5° | 109.5° |
| H37 | C44 | H38 | 109.5° | 109.5° |
| H39 | C45 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C26 | O3 | C25 | 154.7° | 179.9° |
| O28 | C26 | C25 | C24 | 34.0° | 0.1° |
| O28 | C26 | O3 | C3 | 161.7° | 0.0° |
| O28 | C26 | C25 | H24 | 155.4° | 120.0° |
| O28 | C26 | C25 | H25 | 87.5° | 120.1° |
| O3 | C26 | C25 | C24 | 171.3° | 180.0° |
| C26 | O3 | C3 | C2 | 104.2° | 180.0° |
| C26 | O3 | C3 | H5 | 17.2° | 60.0° |
| C26 | O3 | C3 | H6 | 134.4° | 60.0° |
| O3 | C26 | C25 | H24 | 49.9° | 60.0° |
| O3 | C26 | C25 | H25 | 67.3° | 60.0° |
| C26 | C25 | C24 | H24 | 121.4° | 120.0° |
| C26 | C25 | C24 | H25 | 121.4° | 120.0° |
| C26 | C25 | C24 | C23 | 132.2° | 180.0° |
| C25 | C26 | O3 | C3 | 43.6° | 180.0° |
| C26 | C25 | C24 | H22 | 106.4° | 60.0° |
| C26 | C25 | C24 | H23 | 10.9° | 60.0° |
| C26 | C25 | H24 | H25 | 115.4° | 120.0° |
| C25 | C24 | C23 | H22 | 121.4° | 120.0° |
| C25 | C24 | C23 | H23 | 121.4° | 120.0° |
| C25 | C24 | C23 | C22 | 55.2° | 125.0° |
| C25 | C24 | C23 | H21 | 124.9° | 55.1° |
| C25 | C24 | H22 | H23 | 115.7° | 120.0° |
| C24 | C25 | H24 | H25 | 115.4° | 120.0° |
| C24 | C23 | C22 | H21 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 168.4° | 180.0° |
| C24 | C23 | C22 | H20 | 11.6° | 0.0° |
| C23 | C24 | H22 | H23 | 115.7° | 120.0° |
| C23 | C24 | C25 | H24 | 10.8° | 60.0° |
| C23 | C24 | C25 | H25 | 106.4° | 60.0° |
| O3 | C3 | C2 | H5 | 121.4° | 120.1° |
| O3 | C3 | C2 | H6 | 121.4° | 120.0° |
| O3 | C3 | C2 | C1 | 13.2° | 55.0° |
| O3 | C3 | C2 | O2 | 159.7° | 65.0° |
| O3 | C3 | C2 | H4 | 106.5° | 175.0° |
| O3 | C3 | H5 | H6 | 115.6° | 120.0° |
| C23 | C22 | C21 | H20 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 47.1° | 180.0° |
| C23 | C22 | C21 | H19 | 132.9° | 0.0° |
| C22 | C23 | C24 | H22 | 66.2° | 115.0° |
| C22 | C23 | C24 | H23 | 176.5° | 5.0° |
| C3 | C2 | C1 | O2 | 173.0° | 120.0° |
| C3 | C2 | C1 | H4 | 93.3° | 120.0° |
| C3 | C2 | O2 | H4 | 93.6° | 120.0° |
| C3 | C2 | O2 | C46 | 11.3° | 150.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | H5 | H6 | 115.6° | 120.0° |
| C22 | C21 | C20 | H19 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 160.0° | 180.0° |
| C22 | C21 | C20 | H18 | 20.0° | 0.1° |
| C21 | C22 | C23 | H21 | 11.6° | 0.0° |
| C1 | C2 | O2 | H4 | 93.5° | 119.9° |
| C1 | C2 | O2 | C46 | 175.8° | 89.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 134.5° | 65.0° |
| C1 | C2 | C3 | H6 | 108.2° | 175.0° |
| C2 | O2 | C46 | O47 | 48.3° | 0.0° |
| C2 | O2 | C46 | C45 | 160.4° | 180.0° |
| O2 | C2 | C1 | H1 | 7.0° | 59.9° |
| O2 | C2 | C1 | H2 | 127.0° | 180.0° |
| O2 | C2 | C1 | H3 | 113.1° | 60.0° |
| O2 | C2 | C3 | H5 | 38.4° | 175.0° |
| O2 | C2 | C3 | H6 | 78.9° | 55.0° |
| C21 | C20 | C19 | H18 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 133.8° | 180.0° |
| C21 | C20 | C19 | H17 | 46.2° | 0.0° |
| C20 | C21 | C22 | H20 | 132.9° | 0.1° |
| C20 | C19 | C18 | H17 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 177.3° | 179.9° |
| C20 | C19 | C18 | H16 | 2.7° | 0.0° |
| C19 | C20 | C21 | H19 | 20.0° | 0.0° |
| O2 | C46 | O47 | C45 | 151.5° | 180.0° |
| O2 | C46 | C45 | C44 | 173.2° | 180.0° |
| C46 | O2 | C2 | H4 | 82.3° | 30.0° |
| O2 | C46 | C45 | H39 | 51.8° | 60.0° |
| O2 | C46 | C45 | H40 | 65.4° | 60.0° |
| O47 | C46 | C45 | C44 | 21.6° | 0.0° |
| O47 | C46 | C45 | H39 | 99.8° | 120.0° |
| O47 | C46 | C45 | H40 | 143.1° | 120.0° |
| C46 | C45 | C44 | H39 | 121.4° | 120.0° |
| C46 | C45 | C44 | H40 | 121.4° | 120.0° |
| C46 | C45 | C44 | C43 | 148.8° | 180.0° |
| C46 | C45 | C44 | H37 | 89.7° | 60.0° |
| C46 | C45 | C44 | H38 | 27.3° | 60.0° |
| C46 | C45 | H39 | H40 | 115.4° | 120.0° |
| C19 | C18 | C17 | H16 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 110.1° | 180.0° |
| C19 | C18 | C17 | H15 | 69.9° | 0.1° |
| C18 | C19 | C20 | H18 | 46.2° | 0.0° |
| C45 | C44 | C43 | H37 | 121.5° | 120.0° |
| C45 | C44 | C43 | H38 | 121.5° | 120.0° |
| C45 | C44 | C43 | C42 | 124.8° | 180.0° |
| C45 | C44 | C43 | H36 | 113.7° | 60.0° |
| C45 | C44 | H37 | H38 | 115.2° | 120.0° |
| C44 | C45 | H39 | H40 | 115.4° | 120.0° |
| C45 | C44 | C43 | H48 | 3.3° | 60.0° |
| C18 | C17 | C16 | H15 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 173.3° | 180.0° |
| C18 | C17 | C16 | H14 | 6.7° | 0.1° |
| C17 | C18 | C19 | H17 | 2.8° | 0.0° |
| C44 | C43 | C42 | H36 | 121.5° | 120.0° |
| C44 | C43 | C42 | H48 | 121.5° | 120.0° |
| C44 | C43 | C42 | C41 | 163.1° | NaN° |
| C44 | C43 | C42 | H35 | 75.5° | 60.0° |
| C44 | C43 | H36 | H48 | 115.1° | 120.0° |
| C43 | C44 | H37 | H38 | 115.2° | 120.0° |
| C43 | C44 | C45 | H39 | 27.3° | 60.0° |
| C43 | C44 | C45 | H40 | 89.8° | 60.0° |
| C44 | C43 | C42 | H47 | 41.6° | 60.0° |
| C17 | C16 | C15 | H14 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 177.7° | 180.0° |
| C17 | C16 | C15 | H13 | 2.3° | 0.1° |
| C16 | C17 | C18 | H16 | 69.9° | 0.1° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 165.1° | 180.0° |
| C16 | C15 | C14 | H12 | 14.9° | 0.1° |
| C15 | C16 | C17 | H15 | 6.7° | 0.1° |
| C43 | C42 | C41 | H35 | 121.5° | 120.0° |
| C43 | C42 | C41 | H47 | 121.4° | 120.0° |
| C43 | C42 | C41 | C40 | 159.6° | 180.0° |
| C43 | C42 | C41 | H34 | 38.1° | 60.0° |
| C43 | C42 | H35 | H47 | 115.4° | 120.0° |
| C42 | C43 | H36 | H48 | 115.1° | 120.0° |
| C42 | C43 | C44 | H37 | 3.3° | 60.0° |
| C42 | C43 | C44 | H38 | 113.7° | 60.0° |
| C43 | C42 | C41 | H46 | 79.0° | 60.0° |
| C42 | C41 | C40 | H34 | 121.5° | 120.0° |
| C42 | C41 | C40 | H46 | 121.5° | 120.0° |
| C42 | C41 | C40 | C39 | 171.7° | 180.0° |
| C42 | C41 | C40 | H33 | 66.8° | 59.9° |
| C42 | C41 | H34 | H46 | 115.3° | 120.0° |
| C41 | C42 | H35 | H47 | 115.4° | 120.0° |
| C41 | C42 | C43 | H36 | 41.6° | 60.0° |
| C42 | C41 | C40 | H45 | 50.1° | 60.0° |
| C41 | C42 | C43 | H48 | 75.4° | 60.0° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 136.8° | 125.0° |
| C15 | C14 | C13 | H10 | 102.4° | 5.0° |
| C15 | C14 | C13 | H11 | 16.0° | 115.0° |
| C14 | C15 | C16 | H14 | 2.3° | 0.0° |
| C14 | C13 | C12 | H10 | 120.8° | 120.1° |
| C14 | C13 | C12 | H11 | 120.8° | 120.0° |
| C14 | C13 | C12 | H7 | 180.0° | 60.0° |
| C14 | C13 | C12 | H8 | 60.0° | 60.0° |
| C14 | C13 | C12 | H9 | 60.0° | 180.0° |
| C14 | C13 | H10 | H11 | 117.4° | 120.0° |
| C13 | C14 | C15 | H13 | 14.9° | 0.0° |
| C41 | C40 | C39 | H33 | 121.6° | 120.0° |
| C41 | C40 | C39 | H45 | 121.5° | 120.1° |
| C41 | C40 | C39 | C38 | 161.4° | 180.0° |
| C41 | C40 | C39 | H32 | 77.2° | 60.0° |
| C41 | C40 | H33 | H45 | 115.1° | 120.0° |
| C40 | C41 | H34 | H46 | 115.2° | 120.0° |
| C40 | C41 | C42 | H35 | 79.0° | 60.0° |
| C41 | C40 | C39 | H44 | 39.9° | 60.0° |
| C40 | C41 | C42 | H47 | 38.1° | 60.0° |
| C13 | C12 | H7 | H8 | 120.0° | 120.0° |
| C13 | C12 | H7 | H9 | 120.0° | 120.0° |
| C13 | C12 | H8 | H9 | 120.0° | 120.0° |
| C12 | C13 | H10 | H11 | 117.4° | 120.0° |
| C12 | C13 | C14 | H12 | 43.2° | 54.9° |
| C40 | C39 | C38 | H32 | 121.4° | 120.0° |
| C40 | C39 | C38 | H44 | 121.4° | 120.1° |
| C40 | C39 | C38 | C37 | 175.1° | 180.0° |
| C40 | C39 | C38 | H31 | 63.4° | 60.0° |
| C40 | C39 | H32 | H44 | 115.4° | 120.0° |
| C39 | C40 | H33 | H45 | 115.1° | 120.0° |
| C39 | C40 | C41 | H34 | 50.2° | 60.0° |
| C40 | C39 | C38 | H43 | 53.5° | 60.0° |
| C39 | C40 | C41 | H46 | 66.9° | 60.0° |
| C39 | C38 | C37 | H31 | 121.5° | 120.0° |
| C39 | C38 | C37 | H43 | 121.6° | 120.0° |
| C39 | C38 | C37 | C36 | 170.1° | 180.0° |
| C39 | C38 | C37 | H30 | 48.8° | 60.0° |
| C39 | C38 | H31 | H43 | 115.0° | 120.0° |
| C38 | C39 | H32 | H44 | 115.5° | 119.9° |
| C38 | C39 | C40 | H33 | 39.8° | 60.0° |
| C39 | C38 | C37 | H42 | 68.5° | 60.0° |
| C38 | C39 | C40 | H45 | 77.1° | 59.9° |
| C38 | C37 | C36 | H30 | 121.4° | 120.0° |
| C38 | C37 | C36 | H42 | 121.4° | 120.0° |
| C38 | C37 | C36 | C35 | 174.3° | 180.0° |
| C38 | C37 | C36 | H29 | 52.8° | 60.0° |
| C38 | C37 | H30 | H42 | 115.6° | 120.0° |
| C37 | C38 | H31 | H43 | 115.0° | 120.0° |
| C37 | C38 | C39 | H32 | 53.7° | 59.9° |
| C38 | C37 | C36 | H41 | 64.2° | 60.0° |
| C37 | C38 | C39 | H44 | 63.5° | 59.9° |
| C37 | C36 | C35 | H29 | 121.5° | 120.0° |
| C37 | C36 | C35 | H41 | 121.5° | 120.1° |
| C37 | C36 | C35 | H26 | 180.0° | 60.0° |
| C37 | C36 | C35 | H27 | 60.0° | 180.0° |
| C37 | C36 | C35 | H28 | 60.0° | 59.9° |
| C37 | C36 | H29 | H41 | 115.3° | 120.1° |
| C36 | C37 | H30 | H42 | 115.6° | 120.1° |
| C36 | C37 | C38 | H31 | 68.3° | 60.0° |
| C36 | C37 | C38 | H43 | 48.6° | 60.0° |
| C36 | C35 | H26 | H27 | 120.0° | 120.0° |
| C36 | C35 | H26 | H28 | 120.0° | 120.0° |
| C36 | C35 | H27 | H28 | 120.0° | 120.1° |
| C35 | C36 | H29 | H41 | 115.3° | 120.0° |
| C35 | C36 | C37 | H30 | 64.3° | 60.0° |
| C35 | C36 | C37 | H42 | 52.9° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 86.7° | 60.0° |
| H2 | C1 | C2 | H4 | 33.3° | 60.1° |
| H3 | C1 | C2 | H4 | 153.3° | 180.0° |
| H4 | C2 | C3 | H5 | 132.1° | 55.0° |
| H4 | C2 | C3 | H6 | 14.8° | 65.0° |
| H7 | C12 | H8 | H9 | 120.0° | 120.1° |
| H7 | C12 | C13 | H10 | 59.2° | 60.0° |
| H7 | C12 | C13 | H11 | 59.2° | 180.0° |
| H8 | C12 | C13 | H10 | 179.2° | 180.0° |
| H8 | C12 | C13 | H11 | 60.8° | 60.0° |
| H9 | C12 | C13 | H10 | 60.9° | 60.0° |
| H9 | C12 | C13 | H11 | 179.2° | 60.0° |
| H10 | C13 | C14 | H12 | 77.6° | 175.0° |
| H11 | C13 | C14 | H12 | 164.1° | 65.0° |
| H12 | C14 | C15 | H13 | 165.1° | 179.9° |
| H13 | C15 | C16 | H14 | 177.7° | 180.0° |
| H14 | C16 | C17 | H15 | 173.3° | 180.0° |
| H15 | C17 | C18 | H16 | 110.1° | 180.0° |
| H16 | C18 | C19 | H17 | 177.2° | 179.9° |
| H17 | C19 | C20 | H18 | 133.8° | 179.9° |
| H18 | C20 | C21 | H19 | 160.0° | 180.0° |
| H19 | C21 | C22 | H20 | 47.1° | 180.0° |
| H20 | C22 | C23 | H21 | 168.4° | 179.9° |
| H21 | C23 | C24 | H22 | 113.8° | 65.0° |
| H21 | C23 | C24 | H23 | 3.5° | 175.1° |
| H22 | C24 | C25 | H24 | 132.1° | 180.0° |
| H22 | C24 | C25 | H25 | 15.0° | 60.0° |
| H23 | C24 | C25 | H24 | 110.6° | 60.0° |
| H23 | C24 | C25 | H25 | 132.3° | 180.0° |
| H26 | C35 | H27 | H28 | 120.0° | 120.0° |
| H26 | C35 | C36 | H29 | 58.5° | 180.0° |
| H26 | C35 | C36 | H41 | 58.5° | 60.1° |
| H27 | C35 | C36 | H29 | 178.5° | 60.0° |
| H27 | C35 | C36 | H41 | 61.5° | 59.9° |
| H28 | C35 | C36 | H29 | 61.5° | 60.1° |
| H28 | C35 | C36 | H41 | 178.5° | 180.0° |
| H29 | C36 | C37 | H30 | 174.2° | NaN° |
| H29 | C36 | C37 | H42 | 68.6° | 59.9° |
| H30 | C37 | C38 | H31 | 170.3° | NaN° |
| H30 | C37 | C36 | H41 | 57.1° | 60.0° |
| H30 | C37 | C38 | H43 | 72.8° | 60.0° |
| H31 | C38 | C39 | H32 | 175.2° | 179.9° |
| H31 | C38 | C37 | H42 | 53.1° | 60.0° |
| H31 | C38 | C39 | H44 | 58.0° | 60.1° |
| H32 | C39 | C40 | H33 | 161.2° | 180.0° |
| H32 | C39 | C38 | H43 | 67.8° | 60.0° |
| H32 | C39 | C40 | H45 | 44.3° | 60.1° |
| H33 | C40 | C41 | H34 | 171.7° | 179.9° |
| H33 | C40 | C39 | H44 | 81.6° | 60.0° |
| H33 | C40 | C41 | H46 | 54.7° | 60.0° |
| H34 | C41 | C42 | H35 | 159.5° | 180.0° |
| H34 | C41 | C40 | H45 | 71.4° | 60.0° |
| H34 | C41 | C42 | H47 | 83.4° | 60.0° |
| H35 | C42 | C43 | H36 | 163.0° | 180.0° |
| H35 | C42 | C41 | H46 | 42.5° | 60.0° |
| H35 | C42 | C43 | H48 | 46.0° | 60.0° |
| H36 | C43 | C44 | H37 | 124.8° | 180.0° |
| H36 | C43 | C44 | H38 | 7.8° | 60.0° |
| H36 | C43 | C42 | H47 | 79.9° | 60.0° |
| H37 | C44 | C45 | H39 | 148.8° | 180.0° |
| H37 | C44 | C45 | H40 | 31.7° | 60.0° |
| H37 | C44 | C43 | H48 | 118.2° | 60.0° |
| H38 | C44 | C45 | H39 | 94.2° | 60.0° |
| H38 | C44 | C45 | H40 | 148.7° | 179.9° |
| H38 | C44 | C43 | H48 | 124.8° | 180.0° |
| H41 | C36 | C37 | H42 | 174.4° | 180.0° |
| H42 | C37 | C38 | H43 | 170.0° | 180.0° |
| H43 | C38 | C39 | H44 | 175.0° | 179.9° |
| H44 | C39 | C40 | H45 | 161.5° | 180.0° |
| H45 | C40 | C41 | H46 | 171.6° | 179.9° |
| H46 | C41 | C42 | H47 | 159.6° | 180.0° |
| H47 | C42 | C43 | H48 | 163.2° | 180.0° |
