HVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.52Å | 1.51Å | |
| O11 | C5 | sing | 1.43Å | 1.44Å | |
| C50 | C42 | sing | 1.54Å | 1.53Å | |
| C47 | C33 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.54Å | 1.54Å | |
| C38 | O51 | sing | 1.43Å | 1.44Å | |
| C38 | C34 | sing | 1.51Å | 1.52Å | |
| C39 | C25 | sing | 1.52Å | 1.55Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C42 | O41 | sing | 1.41Å | 1.44Å | |
| C42 | C49 | sing | 1.53Å | 1.51Å | |
| C25 | C8 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| O41 | C40 | sing | 1.41Å | 1.45Å | |
| C4 | C9 | sing | 1.51Å | 1.56Å | |
| C4 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C9 | C22 | sing | 1.53Å | 1.54Å | |
| C8 | C27 | sing | 1.52Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C40 | sing | 1.54Å | 1.53Å | |
| C35 | C36 | sing | 1.55Å | 1.54Å | |
| C33 | C34 | sing | 1.55Å | 1.52Å | |
| C33 | C24 | sing | 1.52Å | 1.54Å | |
| C33 | C37 | sing | 1.54Å | 1.53Å | |
| C45 | C44 | sing | 1.53Å | 1.54Å | |
| C45 | C40 | sing | 1.53Å | 1.51Å | |
| C40 | C46 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C48 | sing | 1.54Å | 1.54Å | |
| C36 | C37 | sing | 1.56Å | 1.53Å | |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| O2 | C22 | sing | 1.43Å | 1.44Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.10Å | 1.10Å | |
| C6 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.12Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å | |
| C22 | H14 | sing | 1.08Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.11Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.10Å | 1.10Å | |
| C35 | H22 | sing | 1.08Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.08Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.08Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C47 | H40 | sing | 1.09Å | 1.10Å | |
| C47 | H41 | sing | 1.09Å | 1.10Å | |
| C48 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| C48 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | H45 | sing | 1.09Å | 1.10Å | |
| C49 | H46 | sing | 1.09Å | 1.10Å | |
| C49 | H47 | sing | 1.09Å | 1.10Å | |
| C50 | H48 | sing | 1.09Å | 1.10Å | |
| C50 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| O51 | H51 | sing | 0.97Å | 0.95Å | |
| O2 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 111.2° | 110.1° |
| C6 | C7 | C8 | 114.9° | 109.1° |
| C7 | C6 | H5 | 109.0° | 108.0° |
| C7 | C6 | H6 | 109.0° | 111.8° |
| C6 | C7 | H7 | 108.1° | 109.9° |
| C6 | C7 | H8 | 108.1° | 109.6° |
| C6 | C5 | O11 | 107.0° | 109.6° |
| C6 | C5 | C4 | 110.8° | 113.3° |
| C6 | C5 | H4 | 107.8° | 108.8° |
| C5 | C6 | H5 | 109.0° | 108.5° |
| C5 | C6 | H6 | 109.0° | 111.1° |
| O11 | C5 | C4 | 115.1° | 109.0° |
| O11 | C5 | H4 | 108.7° | 107.9° |
| C5 | O11 | H13 | 109.5° | 114.0° |
| C50 | C42 | C43 | 107.6° | 107.6° |
| C50 | C42 | O41 | 113.0° | 108.1° |
| C50 | C42 | C49 | 108.5° | 107.6° |
| C42 | C50 | H48 | 109.5° | 109.5° |
| C42 | C50 | H49 | 109.5° | 109.5° |
| C42 | C50 | H50 | 109.5° | 109.5° |
| C47 | C33 | C34 | 108.7° | 110.8° |
| C47 | C33 | C24 | 112.8° | 111.5° |
| C47 | C33 | C37 | 105.4° | 108.1° |
| C33 | C47 | H39 | 109.5° | 109.5° |
| C33 | C47 | H40 | 109.5° | 109.4° |
| C33 | C47 | H41 | 109.5° | 109.5° |
| C7 | C8 | C25 | 108.1° | 107.8° |
| C7 | C8 | C9 | 111.2° | 108.3° |
| C7 | C8 | C27 | 104.3° | 107.6° |
| C8 | C7 | H7 | 108.1° | 109.0° |
| C8 | C7 | H8 | 108.1° | 109.3° |
| C3 | C4 | C5 | 110.2° | 104.7° |
| C3 | C4 | C9 | 108.1° | 108.7° |
| C3 | C4 | C10 | 106.9° | 107.0° |
| C4 | C3 | H1 | 109.5° | 109.5° |
| C4 | C3 | H2 | 109.5° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C5 | C4 | C9 | 112.6° | 113.6° |
| C5 | C4 | C10 | 105.7° | 109.5° |
| C4 | C5 | H4 | 107.3° | 108.2° |
| C39 | C38 | O51 | 108.0° | 108.8° |
| C39 | C38 | C34 | 110.7° | 107.9° |
| C38 | C39 | C25 | 116.5° | 110.3° |
| C39 | C38 | H27 | 108.7° | 109.7° |
| C38 | C39 | H28 | 107.7° | 108.1° |
| C38 | C39 | H29 | 107.7° | 108.9° |
| O51 | C38 | C34 | 110.7° | 110.0° |
| O51 | C38 | H27 | 110.0° | 108.9° |
| C38 | O51 | H51 | 109.5° | 114.0° |
| C38 | C34 | C35 | 118.2° | 116.9° |
| C38 | C34 | C33 | 111.8° | 110.3° |
| C38 | C34 | H21 | 107.6° | 109.0° |
| C34 | C38 | H27 | 108.8° | 111.5° |
| C39 | C25 | C8 | 113.5° | 112.3° |
| C39 | C25 | C24 | 111.8° | 112.1° |
| C39 | C25 | H17 | 104.9° | 105.2° |
| C25 | C39 | H28 | 107.7° | 109.4° |
| C25 | C39 | H29 | 107.7° | 111.1° |
| C42 | C43 | C44 | 112.6° | 109.4° |
| C43 | C42 | O41 | 111.2° | 111.4° |
| C43 | C42 | C49 | 111.8° | 109.9° |
| C42 | C43 | H30 | 108.7° | 109.4° |
| C42 | C43 | H31 | 108.7° | 109.5° |
| C43 | C44 | C45 | 114.8° | 108.6° |
| C44 | C43 | H30 | 108.7° | 109.5° |
| C44 | C43 | H31 | 108.7° | 109.6° |
| C43 | C44 | H32 | 108.1° | 109.0° |
| C43 | C44 | H33 | 108.1° | 110.6° |
| O41 | C42 | C49 | 104.7° | 112.0° |
| C42 | O41 | C40 | 126.6° | 122.4° |
| C42 | C49 | H45 | 109.5° | 109.5° |
| C42 | C49 | H46 | 109.5° | 109.5° |
| C42 | C49 | H47 | 109.5° | 109.5° |
| C8 | C25 | C24 | 115.5° | 114.9° |
| C25 | C8 | C9 | 107.1° | 108.7° |
| C25 | C8 | C27 | 112.4° | 111.4° |
| C8 | C25 | H17 | 105.0° | 103.7° |
| C25 | C24 | C33 | 105.3° | 107.5° |
| C25 | C24 | C23 | 112.5° | 110.6° |
| C25 | C24 | C48 | 111.5° | 112.2° |
| C24 | C25 | H17 | 105.0° | 107.6° |
| O41 | C40 | C35 | 107.1° | 108.0° |
| O41 | C40 | C45 | 106.8° | 112.6° |
| O41 | C40 | C46 | 112.4° | 111.6° |
| C9 | C4 | C10 | 113.2° | 112.8° |
| C4 | C9 | C8 | 113.9° | 115.4° |
| C4 | C9 | C22 | 113.8° | 114.2° |
| C4 | C9 | H9 | 105.7° | 106.4° |
| C4 | C10 | H10 | 109.5° | 109.5° |
| C4 | C10 | H11 | 109.5° | 109.5° |
| C4 | C10 | H12 | 109.5° | 109.5° |
| C8 | C9 | C22 | 111.1° | 109.0° |
| C9 | C8 | C27 | 113.8° | 112.7° |
| C8 | C9 | H9 | 105.7° | 105.5° |
| C9 | C22 | C23 | 113.4° | 107.8° |
| C9 | C22 | O2 | 111.7° | 112.0° |
| C22 | C9 | H9 | 105.8° | 105.5° |
| C9 | C22 | H14 | 107.0° | 111.4° |
| C8 | C27 | H18 | 109.5° | 109.5° |
| C8 | C27 | H19 | 109.5° | 109.5° |
| C8 | C27 | H20 | 109.5° | 109.5° |
| C34 | C35 | C40 | 116.0° | 110.1° |
| C34 | C35 | C36 | 103.6° | 104.5° |
| C35 | C34 | C33 | 103.6° | 102.5° |
| C35 | C34 | H21 | 107.5° | 107.1° |
| C34 | C35 | H22 | 107.3° | 110.7° |
| C40 | C35 | C36 | 114.9° | 109.9° |
| C35 | C40 | C45 | 109.5° | 107.5° |
| C35 | C40 | C46 | 110.4° | 107.3° |
| C40 | C35 | H22 | 107.3° | 110.5° |
| C35 | C36 | C37 | 107.1° | 106.3° |
| C36 | C35 | H22 | 107.3° | 111.0° |
| C35 | C36 | H23 | 110.1° | 110.4° |
| C35 | C36 | H24 | 110.1° | 109.9° |
| C34 | C33 | C24 | 109.5° | 108.9° |
| C34 | C33 | C37 | 103.4° | 100.6° |
| C33 | C34 | H21 | 107.6° | 110.9° |
| C24 | C33 | C37 | 116.4° | 116.4° |
| C33 | C24 | C23 | 111.3° | 110.6° |
| C33 | C24 | C48 | 110.0° | 107.9° |
| C33 | C37 | C36 | 105.5° | 102.2° |
| C33 | C37 | H25 | 110.5° | 112.5° |
| C33 | C37 | H26 | 110.5° | 110.2° |
| C44 | C45 | C40 | 111.6° | 110.6° |
| C45 | C44 | H32 | 108.1° | 109.2° |
| C45 | C44 | H33 | 108.1° | 110.6° |
| C44 | C45 | H34 | 108.9° | 109.4° |
| C44 | C45 | H35 | 108.9° | 109.4° |
| C45 | C40 | C46 | 110.4° | 109.6° |
| C40 | C45 | H34 | 108.9° | 109.4° |
| C40 | C45 | H35 | 108.9° | 109.4° |
| C40 | C46 | H36 | 109.5° | 109.5° |
| C40 | C46 | H37 | 109.5° | 109.5° |
| C40 | C46 | H38 | 109.5° | 109.5° |
| C23 | C24 | C48 | 106.3° | 108.1° |
| C24 | C23 | C22 | 112.9° | 110.1° |
| C24 | C23 | H15 | 108.6° | 109.5° |
| C24 | C23 | H16 | 108.6° | 110.9° |
| C24 | C48 | H42 | 109.5° | 109.5° |
| C24 | C48 | H43 | 109.5° | 109.4° |
| C24 | C48 | H44 | 109.5° | 109.4° |
| C37 | C36 | H23 | 110.1° | 110.4° |
| C37 | C36 | H24 | 110.1° | 109.8° |
| C36 | C37 | H25 | 110.4° | 110.3° |
| C36 | C37 | H26 | 110.5° | 110.4° |
| C23 | C22 | O2 | 109.2° | 107.3° |
| C23 | C22 | H14 | 107.1° | 109.7° |
| C22 | C23 | H15 | 108.6° | 108.8° |
| C22 | C23 | H16 | 108.6° | 108.1° |
| O2 | C22 | H14 | 108.2° | 108.6° |
| C22 | O2 | H52 | 109.5° | 114.0° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H1 | C3 | H3 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 107.2° |
| H7 | C7 | H8 | 109.5° | 109.9° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.4° | 109.5° |
| H18 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.4° |
| H23 | C36 | H24 | 109.4° | 110.1° |
| H25 | C37 | H26 | 109.5° | 111.0° |
| H28 | C39 | H29 | 109.5° | 109.1° |
| H30 | C43 | H31 | 109.5° | 109.4° |
| H32 | C44 | H33 | 109.5° | 108.8° |
| H34 | C45 | H35 | 109.5° | 108.7° |
| H36 | C46 | H37 | 109.4° | 109.4° |
| H36 | C46 | H38 | 109.5° | 109.4° |
| H37 | C46 | H38 | 109.5° | 109.5° |
| H39 | C47 | H40 | 109.5° | 109.5° |
| H39 | C47 | H41 | 109.5° | 109.5° |
| H40 | C47 | H41 | 109.4° | 109.4° |
| H42 | C48 | H43 | 109.4° | 109.5° |
| H42 | C48 | H44 | 109.5° | 109.5° |
| H43 | C48 | H44 | 109.5° | 109.5° |
| H45 | C49 | H46 | 109.5° | 109.5° |
| H45 | C49 | H47 | 109.5° | 109.5° |
| H46 | C49 | H47 | 109.5° | 109.4° |
| H48 | C50 | H49 | 109.5° | 109.4° |
| H48 | C50 | H50 | 109.4° | 109.4° |
| H49 | C50 | H50 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H5 | 120.2° | 118.0° |
| C7 | C6 | C5 | H6 | 120.2° | 124.4° |
| C7 | C6 | C5 | O11 | 169.7° | 68.4° |
| C6 | C7 | C8 | H7 | 120.8° | 120.0° |
| C6 | C7 | C8 | H8 | 120.8° | 119.9° |
| C7 | C6 | C5 | C4 | 64.1° | 53.6° |
| C6 | C7 | C8 | C25 | 134.7° | 179.1° |
| C6 | C7 | C8 | C9 | 17.4° | 61.6° |
| C6 | C7 | C8 | C27 | 105.6° | 60.5° |
| C7 | C6 | C5 | H4 | 53.0° | 173.9° |
| C7 | C6 | H5 | H6 | 119.2° | 120.6° |
| C6 | C7 | H7 | H8 | 117.6° | 120.8° |
| C6 | C5 | O11 | C4 | 123.5° | 124.5° |
| C6 | C5 | O11 | H4 | 116.1° | 118.3° |
| C5 | C6 | C7 | C8 | 40.5° | 63.2° |
| C6 | C5 | C4 | C3 | 94.2° | 162.1° |
| C6 | C5 | C4 | H4 | 117.4° | 120.7° |
| C6 | C5 | C4 | C9 | 26.6° | 43.6° |
| C6 | C5 | C4 | C10 | 150.7° | 83.6° |
| C5 | C6 | H5 | H6 | 119.2° | 120.1° |
| C5 | C6 | C7 | H7 | 161.3° | 56.2° |
| C5 | C6 | C7 | H8 | 80.3° | 177.1° |
| C6 | C5 | O11 | H13 | 180.0° | 55.5° |
| O11 | C5 | C4 | C3 | 27.3° | 39.8° |
| O11 | C5 | C4 | H4 | 121.1° | 117.1° |
| O11 | C5 | C4 | C9 | 148.1° | 78.7° |
| O11 | C5 | C4 | C10 | 87.8° | 154.2° |
| O11 | C5 | C6 | H5 | 49.5° | 49.6° |
| O11 | C5 | C6 | H6 | 70.0° | 167.2° |
| C50 | C42 | C43 | O41 | 124.3° | 118.3° |
| C50 | C42 | C43 | C49 | 119.1° | 116.9° |
| C50 | C42 | C43 | C44 | 160.6° | 170.1° |
| C50 | C42 | O41 | C49 | 117.9° | 118.4° |
| C50 | C42 | O41 | C40 | 164.8° | 162.4° |
| C50 | C42 | C43 | H30 | 40.2° | 50.0° |
| C50 | C42 | C43 | H31 | 78.9° | 69.8° |
| C50 | C42 | C49 | H45 | 180.0° | 178.7° |
| C50 | C42 | C49 | H46 | 60.0° | 61.3° |
| C50 | C42 | C49 | H47 | 60.0° | 58.7° |
| C42 | C50 | H48 | H49 | 120.0° | 120.0° |
| C42 | C50 | H48 | H50 | 120.0° | 120.0° |
| C42 | C50 | H49 | H50 | 120.0° | 120.0° |
| C47 | C33 | C34 | C38 | 57.9° | 59.2° |
| C47 | C33 | C24 | C25 | 54.2° | 62.1° |
| C47 | C33 | C34 | C35 | 70.5° | 66.0° |
| C47 | C33 | C34 | C24 | 123.6° | 123.0° |
| C47 | C33 | C34 | C37 | 111.7° | 114.1° |
| C47 | C33 | C24 | C37 | 122.1° | 124.6° |
| C47 | C33 | C24 | C23 | 68.0° | 58.7° |
| C47 | C33 | C24 | C48 | 174.4° | 176.8° |
| C47 | C33 | C37 | C36 | 84.0° | 71.8° |
| C47 | C33 | C34 | H21 | 175.8° | 180.0° |
| C47 | C33 | C37 | H25 | 156.7° | 169.9° |
| C47 | C33 | C37 | H26 | 35.4° | 45.5° |
| C33 | C47 | H39 | H40 | 120.0° | 120.0° |
| C33 | C47 | H39 | H41 | 120.0° | 120.0° |
| C33 | C47 | H40 | H41 | 120.0° | 120.0° |
| C7 | C8 | C25 | C39 | 54.1° | 60.1° |
| C7 | C8 | C25 | C9 | 119.9° | 117.2° |
| C7 | C8 | C25 | C27 | 114.5° | 117.9° |
| C7 | C8 | C25 | C24 | 174.9° | 170.1° |
| C7 | C8 | C9 | C4 | 54.5° | 52.9° |
| C7 | C8 | C9 | C27 | 117.3° | 119.0° |
| C7 | C8 | C9 | C22 | 175.4° | 177.0° |
| C8 | C7 | C6 | H5 | 160.8° | 178.5° |
| C8 | C7 | C6 | H6 | 79.7° | 60.8° |
| C8 | C7 | H7 | H8 | 117.5° | 119.7° |
| C7 | C8 | C9 | H9 | 61.0° | 64.2° |
| C7 | C8 | C25 | H17 | 59.9° | 53.0° |
| C7 | C8 | C27 | H18 | 180.0° | 52.2° |
| C7 | C8 | C27 | H19 | 60.0° | 172.2° |
| C7 | C8 | C27 | H20 | 60.0° | 67.8° |
| C3 | C4 | C5 | C9 | 120.8° | 118.5° |
| C3 | C4 | C5 | C10 | 115.1° | 114.4° |
| C3 | C4 | C9 | C10 | 118.2° | 118.5° |
| C3 | C4 | C9 | C8 | 153.3° | 160.3° |
| C3 | C4 | C9 | C22 | 77.9° | 72.3° |
| C4 | C3 | H1 | H2 | 120.0° | 120.0° |
| C4 | C3 | H1 | H3 | 120.0° | 120.0° |
| C4 | C3 | H2 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4 | 148.4° | 77.3° |
| C3 | C4 | C9 | H9 | 37.7° | 43.7° |
| C3 | C4 | C10 | H10 | 180.0° | 56.2° |
| C3 | C4 | C10 | H11 | 60.0° | 176.2° |
| C3 | C4 | C10 | H12 | 60.0° | 63.9° |
| C5 | C4 | C9 | C10 | 119.8° | 125.4° |
| C5 | C4 | C9 | C8 | 31.4° | 44.1° |
| C5 | C4 | C9 | C22 | 160.1° | 171.6° |
| C5 | C4 | C3 | H1 | 180.0° | 178.2° |
| C5 | C4 | C3 | H2 | 60.0° | 58.2° |
| C5 | C4 | C3 | H3 | 60.0° | 61.7° |
| C4 | C5 | C6 | H5 | 175.6° | 171.6° |
| C4 | C5 | C6 | H6 | 56.1° | 70.8° |
| C5 | C4 | C9 | H9 | 84.2° | 72.5° |
| C5 | C4 | C10 | H10 | 62.7° | 169.1° |
| C5 | C4 | C10 | H11 | 57.3° | 70.9° |
| C5 | C4 | C10 | H12 | 177.3° | 49.1° |
| C4 | C5 | O11 | H13 | 56.4° | 180.0° |
| C39 | C38 | O51 | C34 | 121.3° | 118.0° |
| C39 | C38 | O51 | H27 | 118.5° | 119.5° |
| C39 | C38 | C34 | H27 | 119.3° | 120.6° |
| C38 | C39 | C25 | H28 | 121.0° | 118.8° |
| C38 | C39 | C25 | H29 | 121.0° | 120.8° |
| C38 | C39 | C25 | C8 | 179.7° | 170.7° |
| C38 | C39 | C25 | C24 | 46.9° | 58.1° |
| C39 | C38 | C34 | C35 | 170.1° | 176.9° |
| C39 | C38 | C34 | C33 | 50.0° | 60.4° |
| C38 | C39 | C25 | H17 | 66.3° | 58.6° |
| C39 | C38 | C34 | H21 | 68.0° | 61.6° |
| C38 | C39 | H28 | H29 | 116.8° | 118.2° |
| C39 | C38 | O51 | H51 | 180.0° | 60.0° |
| O51 | C38 | C34 | H27 | 120.9° | 120.9° |
| O51 | C38 | C39 | C25 | 162.8° | 176.5° |
| O51 | C38 | C34 | C35 | 70.1° | 64.5° |
| O51 | C38 | C34 | C33 | 169.7° | 179.0° |
| O51 | C38 | C34 | H21 | 51.8° | 57.0° |
| O51 | C38 | C39 | H28 | 41.8° | 63.9° |
| O51 | C38 | C39 | H29 | 76.1° | 54.4° |
| C34 | C38 | C39 | C25 | 41.5° | 57.2° |
| C38 | C34 | C35 | C33 | 124.3° | 120.7° |
| C38 | C34 | C35 | H21 | 121.9° | 122.5° |
| C38 | C34 | C35 | C40 | 72.8° | 89.0° |
| C38 | C34 | C35 | C36 | 160.4° | 153.1° |
| C38 | C34 | C33 | H21 | 118.0° | 120.8° |
| C38 | C34 | C33 | C24 | 65.8° | 63.9° |
| C38 | C34 | C33 | C37 | 169.6° | 173.3° |
| C38 | C34 | C35 | H22 | 47.1° | 33.5° |
| C34 | C38 | C39 | H28 | 79.5° | 176.7° |
| C34 | C38 | C39 | H29 | 162.5° | 64.9° |
| C34 | C38 | O51 | H51 | 58.7° | 178.0° |
| C39 | C25 | C8 | C24 | 131.0° | 129.7° |
| C39 | C25 | C8 | H17 | 114.0° | 113.1° |
| C39 | C25 | C24 | H17 | 113.2° | 115.2° |
| C39 | C25 | C8 | C9 | 174.0° | 177.4° |
| C39 | C25 | C8 | C27 | 60.4° | 57.8° |
| C39 | C25 | C24 | C33 | 56.9° | 59.2° |
| C39 | C25 | C24 | C23 | 178.3° | 179.9° |
| C39 | C25 | C24 | C48 | 62.4° | 59.2° |
| C25 | C39 | C38 | H27 | 77.9° | 64.5° |
| C25 | C39 | H28 | H29 | 116.8° | 121.6° |
| C42 | C43 | C44 | H30 | 120.5° | 120.0° |
| C42 | C43 | C44 | H31 | 120.5° | 120.0° |
| C43 | C42 | O41 | C49 | 120.9° | 123.6° |
| C43 | C42 | O41 | C40 | 43.7° | 44.4° |
| C42 | C43 | C44 | C45 | 45.3° | 60.4° |
| C42 | C43 | H30 | H31 | 118.6° | 119.9° |
| C42 | C43 | C44 | H32 | 166.1° | 179.3° |
| C42 | C43 | C44 | H33 | 75.5° | 61.1° |
| C43 | C42 | C49 | H45 | 61.4° | 64.4° |
| C43 | C42 | C49 | H46 | 58.6° | 55.6° |
| C43 | C42 | C49 | H47 | 178.6° | 175.6° |
| C43 | C42 | C50 | H48 | 180.0° | 179.6° |
| C43 | C42 | C50 | H49 | 60.0° | 59.6° |
| C43 | C42 | C50 | H50 | 60.0° | 60.4° |
| C44 | C43 | C42 | O41 | 36.4° | 51.8° |
| C44 | C43 | C42 | C49 | 80.3° | 73.0° |
| C43 | C44 | C45 | H32 | 120.8° | 118.7° |
| C43 | C44 | C45 | H33 | 120.8° | 121.5° |
| C43 | C44 | C45 | C40 | 53.6° | 57.9° |
| C44 | C43 | H30 | H31 | 118.6° | 120.1° |
| C43 | C44 | H32 | H33 | 117.6° | 120.7° |
| C43 | C44 | C45 | H34 | 66.7° | 178.5° |
| C43 | C44 | C45 | H35 | 173.9° | 62.5° |
| C42 | O41 | C40 | C35 | 167.7° | 160.4° |
| C42 | O41 | C40 | C45 | 50.4° | 41.9° |
| C42 | O41 | C40 | C46 | 70.9° | 81.9° |
| O41 | C42 | C43 | H30 | 84.1° | 68.2° |
| O41 | C42 | C43 | H31 | 156.8° | 171.9° |
| O41 | C42 | C49 | H45 | 59.1° | 60.0° |
| O41 | C42 | C49 | H46 | 179.1° | 179.9° |
| O41 | C42 | C49 | H47 | 60.9° | 60.0° |
| O41 | C42 | C50 | H48 | 56.8° | 60.0° |
| O41 | C42 | C50 | H49 | 176.9° | 180.0° |
| O41 | C42 | C50 | H50 | 63.2° | 60.0° |
| C49 | C42 | O41 | C40 | 77.3° | 79.2° |
| C49 | C42 | C43 | H30 | 159.2° | 167.0° |
| C49 | C42 | C43 | H31 | 40.2° | 47.1° |
| C42 | C49 | H45 | H46 | 120.0° | 120.1° |
| C42 | C49 | H45 | H47 | 120.0° | 120.0° |
| C42 | C49 | H46 | H47 | 120.0° | 120.0° |
| C49 | C42 | C50 | H48 | 58.9° | 61.2° |
| C49 | C42 | C50 | H49 | 61.2° | 58.8° |
| C49 | C42 | C50 | H50 | 178.8° | 178.8° |
| C8 | C25 | C24 | H17 | 115.0° | 115.0° |
| C25 | C8 | C9 | C4 | 172.4° | 169.8° |
| C25 | C8 | C9 | C27 | 124.8° | 124.1° |
| C25 | C8 | C9 | C22 | 57.5° | 60.1° |
| C8 | C25 | C24 | C33 | 171.3° | 171.0° |
| C8 | C25 | C24 | C23 | 49.9° | 50.1° |
| C8 | C25 | C24 | C48 | 69.4° | 70.6° |
| C25 | C8 | C7 | H7 | 13.9° | 59.1° |
| C25 | C8 | C7 | H8 | 104.5° | 61.0° |
| C25 | C8 | C9 | H9 | 56.8° | 52.7° |
| C25 | C8 | C27 | H18 | 63.1° | 170.2° |
| C25 | C8 | C27 | H19 | 56.9° | 69.7° |
| C25 | C8 | C27 | H20 | 176.9° | 50.2° |
| C8 | C25 | C39 | H28 | 58.7° | 52.0° |
| C8 | C25 | C39 | H29 | 59.3° | 68.5° |
| C24 | C25 | C8 | C9 | 55.1° | 52.9° |
| C24 | C25 | C8 | C27 | 70.6° | 71.9° |
| C25 | C24 | C33 | C34 | 67.0° | 60.5° |
| C25 | C24 | C33 | C23 | 122.1° | 120.8° |
| C25 | C24 | C33 | C48 | 120.3° | 121.2° |
| C25 | C24 | C33 | C37 | 176.2° | 173.3° |
| C25 | C24 | C23 | C48 | 122.3° | 123.2° |
| C25 | C24 | C23 | C22 | 45.2° | 53.9° |
| C25 | C24 | C23 | H15 | 75.3° | 173.5° |
| C25 | C24 | C23 | H16 | 165.7° | 65.6° |
| C24 | C25 | C39 | H28 | 74.1° | 176.9° |
| C24 | C25 | C39 | H29 | 168.0° | 62.7° |
| C25 | C24 | C48 | H42 | 180.0° | 169.4° |
| C25 | C24 | C48 | H43 | 60.0° | 49.3° |
| C25 | C24 | C48 | H44 | 60.0° | 70.6° |
| O41 | C40 | C35 | C34 | 69.0° | 65.2° |
| O41 | C40 | C35 | C45 | 115.5° | 121.7° |
| O41 | C40 | C35 | C46 | 122.7° | 120.4° |
| O41 | C40 | C35 | C36 | 170.0° | 179.8° |
| O41 | C40 | C45 | C44 | 50.2° | 46.8° |
| O41 | C40 | C45 | C46 | 122.6° | 124.8° |
| O41 | C40 | C35 | H22 | 50.9° | 57.4° |
| O41 | C40 | C45 | H34 | 70.1° | 167.3° |
| O41 | C40 | C45 | H35 | 170.5° | 73.7° |
| O41 | C40 | C46 | H36 | 180.0° | 168.8° |
| O41 | C40 | C46 | H37 | 60.0° | 71.2° |
| O41 | C40 | C46 | H38 | 60.0° | 48.8° |
| C4 | C9 | C8 | C22 | 130.1° | 130.0° |
| C4 | C9 | C8 | H9 | 115.6° | 117.1° |
| C4 | C9 | C22 | H9 | 115.6° | 116.5° |
| C4 | C9 | C8 | C27 | 62.8° | 66.1° |
| C4 | C9 | C22 | C23 | 172.1° | 163.2° |
| C4 | C9 | C22 | O2 | 48.2° | 45.4° |
| C9 | C4 | C3 | H1 | 56.5° | 60.0° |
| C9 | C4 | C3 | H2 | 176.5° | 180.0° |
| C9 | C4 | C3 | H3 | 63.5° | 60.0° |
| C9 | C4 | C5 | H4 | 90.8° | 164.2° |
| C9 | C4 | C10 | H10 | 61.1° | 63.3° |
| C9 | C4 | C10 | H11 | 178.9° | 56.7° |
| C9 | C4 | C10 | H12 | 59.0° | 176.6° |
| C4 | C9 | C22 | H14 | 70.0° | 76.4° |
| C10 | C4 | C9 | C8 | 88.5° | 81.3° |
| C10 | C4 | C9 | C22 | 40.3° | 46.2° |
| C10 | C4 | C3 | H1 | 65.7° | 62.1° |
| C10 | C4 | C3 | H2 | 54.3° | 57.9° |
| C10 | C4 | C3 | H3 | 174.3° | 177.9° |
| C10 | C4 | C5 | H4 | 33.3° | 37.1° |
| C10 | C4 | C9 | H9 | 155.9° | 162.1° |
| C4 | C10 | H10 | H11 | 120.0° | 120.0° |
| C4 | C10 | H10 | H12 | 120.0° | 120.0° |
| C4 | C10 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | C22 | H9 | 114.3° | 112.8° |
| C8 | C9 | C22 | C23 | 57.8° | 66.1° |
| C8 | C9 | C22 | O2 | 178.3° | 176.1° |
| C9 | C8 | C7 | H7 | 103.4° | 58.4° |
| C9 | C8 | C7 | H8 | 138.2° | 178.5° |
| C8 | C9 | C22 | H14 | 60.1° | 54.3° |
| C9 | C8 | C25 | H17 | 60.0° | 64.2° |
| C9 | C8 | C27 | H18 | 58.8° | 67.2° |
| C9 | C8 | C27 | H19 | 178.7° | 52.8° |
| C9 | C8 | C27 | H20 | 61.3° | 172.8° |
| C22 | C9 | C8 | C27 | 67.3° | 64.0° |
| C9 | C22 | C23 | C24 | 50.5° | 62.8° |
| C9 | C22 | C23 | O2 | 125.2° | 120.8° |
| C9 | C22 | C23 | H14 | 117.8° | 121.4° |
| C9 | C22 | O2 | H14 | 117.5° | 123.4° |
| C9 | C22 | C23 | H15 | 70.0° | 177.2° |
| C9 | C22 | C23 | H16 | 171.0° | 58.5° |
| C9 | C22 | O2 | H52 | 180.0° | 180.0° |
| C27 | C8 | C7 | H7 | 133.6° | 179.4° |
| C27 | C8 | C7 | H8 | 15.2° | 59.3° |
| C27 | C8 | C9 | H9 | 178.4° | 176.8° |
| C27 | C8 | C25 | H17 | 174.4° | 170.9° |
| C8 | C27 | H18 | H19 | 120.0° | 120.1° |
| C8 | C27 | H18 | H20 | 120.0° | 120.0° |
| C8 | C27 | H19 | H20 | 120.0° | 120.0° |
| C34 | C35 | C40 | C36 | 121.0° | 114.6° |
| C34 | C35 | C40 | H22 | 119.9° | 122.6° |
| C34 | C35 | C36 | H22 | 113.3° | 119.4° |
| C35 | C34 | C33 | H21 | 113.7° | 114.0° |
| C35 | C34 | C33 | C24 | 165.9° | 170.9° |
| C35 | C34 | C33 | C37 | 41.2° | 48.1° |
| C34 | C35 | C40 | C45 | 175.5° | 173.1° |
| C34 | C35 | C40 | C46 | 53.7° | 55.2° |
| C34 | C35 | C36 | C37 | 17.4° | 4.7° |
| C34 | C35 | C36 | H23 | 137.1° | 124.5° |
| C34 | C35 | C36 | H24 | 102.3° | 113.9° |
| C35 | C34 | C38 | H27 | 50.8° | 56.4° |
| C40 | C35 | C36 | H22 | 119.1° | 122.5° |
| C40 | C35 | C34 | C33 | 162.9° | 150.3° |
| C35 | C40 | C45 | C44 | 165.9° | 165.6° |
| C35 | C40 | C45 | C46 | 121.8° | 116.4° |
| C40 | C35 | C36 | C37 | 145.0° | 122.8° |
| C40 | C35 | C34 | H21 | 49.2° | 33.5° |
| C40 | C35 | C36 | H23 | 95.4° | 117.4° |
| C40 | C35 | C36 | H24 | 25.3° | 4.1° |
| C35 | C40 | C45 | H34 | 45.6° | 73.9° |
| C35 | C40 | C45 | H35 | 73.8° | 45.1° |
| C35 | C40 | C46 | H36 | 60.5° | 50.7° |
| C35 | C40 | C46 | H37 | 179.5° | 170.7° |
| C35 | C40 | C46 | H38 | 59.5° | 69.2° |
| C36 | C35 | C34 | C33 | 36.1° | 32.3° |
| C35 | C36 | C37 | C33 | 7.7° | 24.8° |
| C36 | C35 | C40 | C45 | 54.5° | 58.4° |
| C36 | C35 | C40 | C46 | 67.3° | 59.4° |
| C35 | C36 | C37 | H23 | 119.7° | 119.7° |
| C35 | C36 | C37 | H24 | 119.7° | 118.7° |
| C36 | C35 | C34 | H21 | 77.7° | 84.4° |
| C35 | C36 | H23 | H24 | 121.1° | 121.4° |
| C35 | C36 | C37 | H25 | 111.7° | 95.0° |
| C35 | C36 | C37 | H26 | 127.1° | 141.9° |
| C34 | C33 | C24 | C37 | 116.8° | 112.8° |
| C34 | C33 | C24 | C23 | 170.9° | 178.7° |
| C34 | C33 | C24 | C48 | 53.3° | 60.6° |
| C34 | C33 | C37 | C36 | 30.1° | 44.3° |
| C33 | C34 | C35 | H22 | 77.2° | 87.3° |
| C34 | C33 | C37 | H25 | 89.3° | 73.9° |
| C34 | C33 | C37 | H26 | 149.5° | 161.7° |
| C33 | C34 | C38 | H27 | 69.3° | 60.1° |
| C34 | C33 | C47 | H39 | 180.0° | 59.3° |
| C34 | C33 | C47 | H40 | 60.0° | 179.3° |
| C34 | C33 | C47 | H41 | 60.0° | 60.7° |
| C33 | C24 | C23 | C48 | 119.8° | 117.9° |
| C24 | C33 | C37 | C36 | 150.2° | 161.8° |
| C33 | C24 | C23 | C22 | 163.1° | 172.8° |
| C33 | C24 | C23 | H15 | 42.6° | 67.6° |
| C33 | C24 | C23 | H16 | 76.4° | 53.3° |
| C33 | C24 | C25 | H17 | 56.3° | 56.0° |
| C24 | C33 | C34 | H21 | 52.2° | 56.9° |
| C24 | C33 | C37 | H25 | 30.8° | 43.6° |
| C24 | C33 | C37 | H26 | 90.4° | 80.9° |
| C24 | C33 | C47 | H39 | 58.4° | 179.2° |
| C24 | C33 | C47 | H40 | 61.7° | 59.2° |
| C24 | C33 | C47 | H41 | 178.4° | 60.8° |
| C33 | C24 | C48 | H42 | 63.5° | 51.2° |
| C33 | C24 | C48 | H43 | 56.4° | 68.9° |
| C33 | C24 | C48 | H44 | 176.4° | 171.2° |
| C37 | C33 | C24 | C23 | 54.1° | 65.9° |
| C37 | C33 | C24 | C48 | 63.5° | 52.1° |
| C33 | C37 | C36 | H25 | 119.4° | 119.8° |
| C33 | C37 | C36 | H26 | 119.4° | 117.1° |
| C37 | C33 | C34 | H21 | 72.5° | 65.9° |
| C33 | C37 | C36 | H23 | 112.0° | 95.0° |
| C33 | C37 | C36 | H24 | 127.4° | 143.5° |
| C33 | C37 | H25 | H26 | 121.8° | 124.0° |
| C37 | C33 | C47 | H39 | 69.7° | 50.0° |
| C37 | C33 | C47 | H40 | 170.3° | 70.0° |
| C37 | C33 | C47 | H41 | 50.4° | 170.0° |
| C44 | C45 | C40 | H34 | 120.3° | 120.5° |
| C44 | C45 | C40 | H35 | 120.3° | 120.5° |
| C44 | C45 | C40 | C46 | 72.3° | 78.0° |
| C45 | C44 | C43 | H30 | 75.1° | 59.5° |
| C45 | C44 | C43 | H31 | 165.8° | 179.5° |
| C45 | C44 | H32 | H33 | 117.5° | 120.8° |
| C44 | C45 | H34 | H35 | 119.0° | 119.3° |
| C45 | C40 | C35 | H22 | 64.6° | 64.4° |
| C40 | C45 | C44 | H32 | 174.4° | 176.7° |
| C40 | C45 | C44 | H33 | 67.2° | 63.6° |
| C40 | C45 | H34 | H35 | 119.1° | 119.4° |
| C45 | C40 | C46 | H36 | 60.8° | 65.7° |
| C45 | C40 | C46 | H37 | 59.2° | 54.3° |
| C45 | C40 | C46 | H38 | 179.2° | 174.3° |
| C46 | C40 | C35 | H22 | 173.6° | 177.8° |
| C46 | C40 | C45 | H34 | 167.4° | 42.5° |
| C46 | C40 | C45 | H35 | 47.9° | 161.5° |
| C40 | C46 | H36 | H37 | 120.0° | 120.0° |
| C40 | C46 | H36 | H38 | 120.0° | 120.0° |
| C40 | C46 | H37 | H38 | 120.0° | 120.1° |
| C24 | C23 | C22 | H15 | 120.5° | 120.0° |
| C24 | C23 | C22 | H16 | 120.5° | 121.2° |
| C24 | C23 | C22 | O2 | 175.7° | 176.4° |
| C24 | C23 | C22 | H14 | 67.3° | 58.7° |
| C24 | C23 | H15 | H16 | 118.4° | 121.7° |
| C23 | C24 | C25 | H17 | 65.1° | 64.8° |
| C23 | C24 | C48 | H42 | 57.1° | 68.5° |
| C23 | C24 | C48 | H43 | 177.1° | 171.5° |
| C23 | C24 | C48 | H44 | 62.9° | 51.5° |
| C48 | C24 | C23 | C22 | 77.0° | 69.2° |
| C48 | C24 | C23 | H15 | 162.5° | 50.4° |
| C48 | C24 | C23 | H16 | 43.5° | 171.2° |
| C48 | C24 | C25 | H17 | 175.6° | 174.4° |
| C24 | C48 | H42 | H43 | 120.0° | 120.0° |
| C24 | C48 | H42 | H44 | 120.0° | 120.0° |
| C24 | C48 | H43 | H44 | 120.0° | 119.9° |
| C37 | C36 | C35 | H22 | 95.9° | 114.7° |
| C37 | C36 | H23 | H24 | 121.1° | 121.3° |
| C36 | C37 | H25 | H26 | 121.8° | 122.7° |
| C23 | C22 | O2 | H14 | 116.3° | 118.5° |
| C23 | C22 | C9 | H9 | 56.5° | 46.7° |
| C22 | C23 | H15 | H16 | 118.5° | 117.9° |
| C23 | C22 | O2 | H52 | 53.8° | 61.9° |
| O2 | C22 | C9 | H9 | 67.4° | 71.1° |
| O2 | C22 | C23 | H15 | 55.2° | 56.4° |
| O2 | C22 | C23 | H16 | 63.8° | 62.3° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H5 | 67.2° | 68.1° |
| H4 | C5 | C6 | H6 | 173.3° | 49.5° |
| H4 | C5 | O11 | H13 | 63.9° | 62.7° |
| H5 | C6 | C7 | H7 | 78.4° | 62.1° |
| H5 | C6 | C7 | H8 | 40.0° | 58.8° |
| H6 | C6 | C7 | H7 | 41.1° | 179.8° |
| H6 | C6 | C7 | H8 | 159.5° | 58.9° |
| H9 | C9 | C22 | H14 | 174.4° | 167.1° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H14 | C22 | C23 | H15 | 172.2° | 61.4° |
| H14 | C22 | C23 | H16 | 53.2° | 179.9° |
| H14 | C22 | O2 | H52 | 62.5° | 56.6° |
| H17 | C25 | C39 | H28 | 172.7° | 60.2° |
| H17 | C25 | C39 | H29 | 54.7° | 179.3° |
| H18 | C27 | H19 | H20 | 120.0° | 120.0° |
| H21 | C34 | C35 | H22 | 169.1° | 156.0° |
| H21 | C34 | C38 | H27 | 172.7° | 177.9° |
| H22 | C35 | C36 | H23 | 23.8° | 5.1° |
| H22 | C35 | C36 | H24 | 144.5° | 126.6° |
| H23 | C36 | C37 | H25 | 128.7° | 145.3° |
| H23 | C36 | C37 | H26 | 7.4° | 22.2° |
| H24 | C36 | C37 | H25 | 8.0° | 23.8° |
| H24 | C36 | C37 | H26 | 113.2° | 99.3° |
| H27 | C38 | C39 | H28 | 161.1° | 55.0° |
| H27 | C38 | C39 | H29 | 43.1° | 173.4° |
| H27 | C38 | O51 | H51 | 61.6° | 59.6° |
| H30 | C43 | C44 | H32 | 45.7° | 59.4° |
| H30 | C43 | C44 | H33 | 164.1° | 178.9° |
| H31 | C43 | C44 | H32 | 73.4° | 60.7° |
| H31 | C43 | C44 | H33 | 45.0° | 58.9° |
| H32 | C44 | C45 | H34 | 54.1° | 62.8° |
| H32 | C44 | C45 | H35 | 65.3° | 56.2° |
| H33 | C44 | C45 | H34 | 172.5° | 57.0° |
| H33 | C44 | C45 | H35 | 53.1° | 175.9° |
| H36 | C46 | H37 | H38 | 120.0° | 119.9° |
| H39 | C47 | H40 | H41 | 120.0° | 120.0° |
| H42 | C48 | H43 | H44 | 120.0° | 120.1° |
| H45 | C49 | H46 | H47 | 120.0° | 119.9° |
| H48 | C50 | H49 | H50 | 119.9° | 119.9° |
