98H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C32 | sing | 1.55Å | 1.57Å | |
| C45 | C32 | sing | 1.53Å | 1.56Å | |
| O40 | C33 | doub | 1.22Å | 1.22Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C30 | sing | 1.52Å | 1.58Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C34 | C37 | sing | 1.53Å | 1.55Å | |
| C30 | C49 | sing | 1.53Å | 1.56Å | |
| C30 | C29 | sing | 1.52Å | 1.58Å | |
| C49 | C52 | sing | 1.51Å | 1.50Å | |
| C37 | C29 | sing | 1.53Å | 1.57Å | |
| C29 | C54 | sing | 1.53Å | 1.57Å | |
| C29 | C28 | sing | 1.52Å | 1.55Å | |
| O53 | C52 | doub | 1.22Å | 1.22Å | |
| C52 | C27 | sing | 1.47Å | 1.49Å | |
| C28 | C27 | doub | 1.33Å | 1.36Å | |
| C28 | C58 | sing | 1.51Å | 1.53Å | |
| C27 | C20 | sing | 1.51Å | 1.53Å | |
| C58 | C61 | sing | 1.52Å | 1.56Å | |
| C20 | C64 | sing | 1.53Å | 1.58Å | |
| C20 | C21 | sing | 1.54Å | 1.56Å | |
| C20 | C19 | sing | 1.52Å | 1.58Å | |
| C21 | C24 | sing | 1.53Å | 1.55Å | |
| C68 | C19 | sing | 1.54Å | 1.58Å | |
| C19 | C61 | sing | 1.52Å | 1.57Å | |
| C19 | C17 | sing | 1.53Å | 1.58Å | |
| C24 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | C15 | sing | 1.53Å | 1.58Å | |
| C15 | C72 | sing | 1.53Å | 1.57Å | |
| C15 | C12 | sing | 1.53Å | 1.57Å | |
| C12 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.31Å | 1.35Å | |
| C3 | C6 | sing | 1.51Å | 1.51Å | |
| C3 | O1 | sing | 1.43Å | 1.44Å | |
| C6 | C76 | sing | 1.51Å | 1.51Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C41 | H4 | sing | 1.09Å | 1.10Å | |
| C41 | H5 | sing | 1.09Å | 1.10Å | |
| C41 | H6 | sing | 1.09Å | 1.10Å | |
| C45 | H7 | sing | 1.09Å | 1.10Å | |
| C45 | H8 | sing | 1.09Å | 1.10Å | |
| C45 | H9 | sing | 1.09Å | 1.10Å | |
| C49 | H10 | sing | 1.09Å | 1.10Å | |
| C49 | H11 | sing | 1.09Å | 1.10Å | |
| C58 | H12 | sing | 1.10Å | 1.10Å | |
| C58 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.10Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.12Å | 1.10Å | |
| C7 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.10Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C54 | H31 | sing | 1.09Å | 1.10Å | |
| C54 | H32 | sing | 1.09Å | 1.10Å | |
| C61 | H33 | sing | 1.09Å | 1.10Å | |
| C61 | H34 | sing | 1.11Å | 1.10Å | |
| C64 | H35 | sing | 1.09Å | 1.10Å | |
| C64 | H36 | sing | 1.09Å | 1.10Å | |
| C64 | H37 | sing | 1.09Å | 1.10Å | |
| C68 | H38 | sing | 1.09Å | 1.10Å | |
| C68 | H39 | sing | 1.09Å | 1.10Å | |
| C68 | H40 | sing | 1.09Å | 1.10Å | |
| C72 | H41 | sing | 1.09Å | 1.10Å | |
| C72 | H42 | sing | 1.09Å | 1.10Å | |
| C72 | H43 | sing | 1.09Å | 1.10Å | |
| C76 | H44 | sing | 1.09Å | 1.10Å | |
| C76 | H45 | sing | 1.09Å | 1.10Å | |
| C76 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C32 | C45 | 105.5° | 107.6° |
| C41 | C32 | C33 | 106.9° | 107.3° |
| C41 | C32 | C30 | 112.1° | 108.4° |
| C32 | C41 | H4 | 109.5° | 109.4° |
| C32 | C41 | H5 | 109.5° | 109.5° |
| C32 | C41 | H6 | 109.5° | 109.5° |
| C45 | C32 | C33 | 109.1° | 110.2° |
| C45 | C32 | C30 | 114.3° | 112.9° |
| C32 | C45 | H7 | 109.5° | 109.5° |
| C32 | C45 | H8 | 109.5° | 109.5° |
| C32 | C45 | H9 | 109.5° | 109.5° |
| O40 | C33 | C32 | 122.5° | 119.4° |
| O40 | C33 | C34 | 118.6° | 119.6° |
| C33 | C32 | C30 | 108.7° | 110.3° |
| C32 | C33 | C34 | 118.9° | 121.0° |
| C32 | C30 | C49 | 113.8° | 111.8° |
| C32 | C30 | C29 | 116.4° | 115.8° |
| C32 | C30 | H22 | 104.3° | 106.8° |
| C33 | C34 | C37 | 111.2° | 108.6° |
| C33 | C34 | H26 | 109.1° | 109.0° |
| C33 | C34 | H27 | 109.1° | 110.7° |
| C34 | C37 | C29 | 117.5° | 109.6° |
| C37 | C34 | H26 | 109.0° | 108.9° |
| C37 | C34 | H27 | 109.0° | 111.4° |
| C34 | C37 | H28 | 107.4° | 109.3° |
| C34 | C37 | H29 | 107.5° | 109.6° |
| C49 | C30 | C29 | 111.9° | 109.3° |
| C30 | C49 | C52 | 109.8° | 105.2° |
| C30 | C49 | H10 | 109.4° | 110.5° |
| C30 | C49 | H11 | 109.4° | 112.7° |
| C49 | C30 | H22 | 104.6° | 106.1° |
| C30 | C29 | C37 | 106.7° | 111.4° |
| C30 | C29 | C54 | 115.2° | 111.1° |
| C30 | C29 | C28 | 110.7° | 111.1° |
| C29 | C30 | H22 | 104.4° | 106.5° |
| C49 | C52 | O53 | 116.6° | 119.3° |
| C49 | C52 | C27 | 120.4° | 120.3° |
| C52 | C49 | H10 | 109.4° | 109.1° |
| C52 | C49 | H11 | 109.4° | 110.0° |
| C37 | C29 | C54 | 109.1° | 108.2° |
| C37 | C29 | C28 | 111.5° | 108.9° |
| C29 | C37 | H28 | 107.4° | 109.6° |
| C29 | C37 | H29 | 107.4° | 109.6° |
| C54 | C29 | C28 | 103.7° | 105.9° |
| C29 | C54 | H30 | 109.5° | 109.4° |
| C29 | C54 | H31 | 109.5° | 109.4° |
| C29 | C54 | H32 | 109.5° | 109.5° |
| C29 | C28 | C27 | 123.7° | 120.1° |
| C29 | C28 | C58 | 115.6° | 118.2° |
| O53 | C52 | C27 | 123.0° | 120.4° |
| C52 | C27 | C28 | 120.3° | 121.1° |
| C52 | C27 | C20 | 120.7° | 118.3° |
| C27 | C28 | C58 | 120.7° | 121.7° |
| C28 | C27 | C20 | 119.0° | 120.6° |
| C28 | C58 | C61 | 117.9° | 116.7° |
| C28 | C58 | H12 | 107.3° | 107.9° |
| C28 | C58 | H13 | 107.3° | 108.9° |
| C27 | C20 | C64 | 101.8° | 108.5° |
| C27 | C20 | C21 | 121.2° | 118.4° |
| C27 | C20 | C19 | 109.5° | 109.2° |
| C58 | C61 | C19 | 113.4° | 108.9° |
| C61 | C58 | H12 | 107.3° | 107.7° |
| C61 | C58 | H13 | 107.3° | 108.7° |
| C58 | C61 | H33 | 108.5° | 111.3° |
| C58 | C61 | H34 | 108.5° | 108.5° |
| C64 | C20 | C21 | 104.9° | 108.0° |
| C64 | C20 | C19 | 119.4° | 110.9° |
| C20 | C64 | H35 | 109.5° | 109.5° |
| C20 | C64 | H36 | 109.5° | 109.4° |
| C20 | C64 | H37 | 109.5° | 109.4° |
| C21 | C20 | C19 | 101.1° | 101.7° |
| C20 | C21 | C24 | 104.5° | 102.7° |
| C20 | C21 | H18 | 110.7° | 111.7° |
| C20 | C21 | H19 | 110.7° | 110.1° |
| C20 | C19 | C68 | 112.6° | 111.2° |
| C20 | C19 | C61 | 107.5° | 107.3° |
| C20 | C19 | C17 | 102.4° | 102.0° |
| C21 | C24 | C17 | 107.2° | 106.9° |
| C24 | C21 | H18 | 110.7° | 111.7° |
| C24 | C21 | H19 | 110.7° | 110.3° |
| C21 | C24 | H20 | 110.0° | 110.3° |
| C21 | C24 | H21 | 110.0° | 110.0° |
| C68 | C19 | C61 | 108.9° | 110.1° |
| C68 | C19 | C17 | 110.4° | 108.7° |
| C19 | C68 | H38 | 109.5° | 109.4° |
| C19 | C68 | H39 | 109.5° | 109.5° |
| C19 | C68 | H40 | 109.5° | 109.5° |
| C61 | C19 | C17 | 115.0° | 117.2° |
| C19 | C61 | H33 | 108.5° | 112.7° |
| C19 | C61 | H34 | 108.5° | 108.6° |
| C19 | C17 | C24 | 103.8° | 104.7° |
| C19 | C17 | C15 | 122.5° | 109.8° |
| C19 | C17 | H17 | 105.7° | 110.7° |
| C24 | C17 | C15 | 112.3° | 110.2° |
| C24 | C17 | H17 | 105.7° | 111.1° |
| C17 | C24 | H20 | 110.0° | 110.2° |
| C17 | C24 | H21 | 110.0° | 109.9° |
| C17 | C15 | C72 | 114.6° | 109.5° |
| C17 | C15 | C12 | 110.7° | 109.5° |
| C17 | C15 | H16 | 107.1° | 109.5° |
| C15 | C17 | H17 | 105.6° | 110.2° |
| C72 | C15 | C12 | 109.5° | 109.4° |
| C72 | C15 | H16 | 107.3° | 109.5° |
| C15 | C72 | H41 | 109.5° | 109.5° |
| C15 | C72 | H42 | 109.5° | 109.4° |
| C15 | C72 | H43 | 109.5° | 109.5° |
| C15 | C12 | C9 | 116.6° | 109.5° |
| C15 | C12 | H14 | 107.7° | 109.4° |
| C15 | C12 | H15 | 107.7° | 109.5° |
| C12 | C15 | H16 | 107.3° | 109.5° |
| C12 | C9 | C7 | 109.6° | 109.5° |
| C9 | C12 | H14 | 107.6° | 109.5° |
| C9 | C12 | H15 | 107.7° | 109.5° |
| C12 | C9 | H24 | 109.4° | 109.5° |
| C12 | C9 | H25 | 109.4° | 109.5° |
| C9 | C7 | C6 | 127.2° | 120.0° |
| C9 | C7 | H23 | 116.4° | 120.0° |
| C7 | C9 | H24 | 109.5° | 109.4° |
| C7 | C9 | H25 | 109.4° | 109.5° |
| C7 | C6 | C3 | 120.8° | 120.0° |
| C7 | C6 | C76 | 125.2° | 120.0° |
| C6 | C7 | H23 | 116.4° | 120.0° |
| C6 | C3 | O1 | 110.8° | 109.5° |
| C3 | C6 | C76 | 114.0° | 120.0° |
| C6 | C3 | H1 | 109.1° | 109.5° |
| C6 | C3 | H2 | 109.1° | 109.5° |
| O1 | C3 | H1 | 109.1° | 109.5° |
| O1 | C3 | H2 | 109.1° | 109.4° |
| C3 | O1 | H3 | 109.5° | 114.0° |
| C6 | C76 | H44 | 109.5° | 109.4° |
| C6 | C76 | H45 | 109.5° | 109.5° |
| C6 | C76 | H46 | 109.4° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H4 | C41 | H5 | 109.5° | 109.5° |
| H4 | C41 | H6 | 109.5° | 109.5° |
| H5 | C41 | H6 | 109.4° | 109.5° |
| H7 | C45 | H8 | 109.5° | 109.5° |
| H7 | C45 | H9 | 109.4° | 109.5° |
| H8 | C45 | H9 | 109.5° | 109.4° |
| H10 | C49 | H11 | 109.5° | 109.3° |
| H12 | C58 | H13 | 109.5° | 106.6° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 110.0° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.4° | 109.5° |
| H26 | C34 | H27 | 109.4° | 108.2° |
| H28 | C37 | H29 | 109.5° | 109.1° |
| H30 | C54 | H31 | 109.5° | 109.5° |
| H30 | C54 | H32 | 109.5° | 109.5° |
| H31 | C54 | H32 | 109.5° | 109.5° |
| H33 | C61 | H34 | 109.5° | 106.7° |
| H35 | C64 | H36 | 109.5° | 109.5° |
| H35 | C64 | H37 | 109.4° | 109.5° |
| H36 | C64 | H37 | 109.5° | 109.5° |
| H38 | C68 | H39 | 109.5° | 109.5° |
| H38 | C68 | H40 | 109.5° | 109.5° |
| H39 | C68 | H40 | 109.5° | 109.5° |
| H41 | C72 | H42 | 109.5° | 109.5° |
| H41 | C72 | H43 | 109.5° | 109.5° |
| H42 | C72 | H43 | 109.5° | 109.4° |
| H44 | C76 | H45 | 109.5° | 109.5° |
| H44 | C76 | H46 | 109.5° | 109.4° |
| H45 | C76 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C32 | C45 | C33 | 114.5° | 116.6° |
| C41 | C32 | C45 | C30 | 123.6° | 119.6° |
| C41 | C32 | C33 | O40 | 89.0° | 22.3° |
| C41 | C32 | C33 | C30 | 121.2° | 117.9° |
| C41 | C32 | C33 | C34 | 90.5° | 157.8° |
| C41 | C32 | C30 | C49 | 80.9° | 76.8° |
| C41 | C32 | C30 | C29 | 146.8° | 157.2° |
| C32 | C41 | H4 | H5 | 120.0° | 120.0° |
| C32 | C41 | H4 | H6 | 120.0° | 120.0° |
| C32 | C41 | H5 | H6 | 120.0° | 120.0° |
| C41 | C32 | C45 | H7 | 180.0° | 55.1° |
| C41 | C32 | C45 | H8 | 60.0° | 175.1° |
| C41 | C32 | C45 | H9 | 60.0° | 65.0° |
| C41 | C32 | C30 | H22 | 32.4° | 38.8° |
| C45 | C32 | C33 | O40 | 24.6° | 94.6° |
| C45 | C32 | C33 | C30 | 125.3° | 125.3° |
| C45 | C32 | C33 | C34 | 155.9° | 85.3° |
| C45 | C32 | C30 | C49 | 39.0° | 42.3° |
| C45 | C32 | C30 | C29 | 93.3° | 83.7° |
| C45 | C32 | C41 | H4 | 180.0° | 60.1° |
| C45 | C32 | C41 | H5 | 60.0° | 180.0° |
| C45 | C32 | C41 | H6 | 60.0° | 60.0° |
| C32 | C45 | H7 | H8 | 120.0° | 120.0° |
| C32 | C45 | H7 | H9 | 120.0° | 120.0° |
| C32 | C45 | H8 | H9 | 120.0° | 120.0° |
| C45 | C32 | C30 | H22 | 152.4° | 157.9° |
| O40 | C33 | C32 | C34 | 179.5° | 179.9° |
| O40 | C33 | C32 | C30 | 149.8° | 140.1° |
| O40 | C33 | C34 | C37 | 124.5° | 131.1° |
| O40 | C33 | C34 | H26 | 115.2° | 12.5° |
| O40 | C33 | C34 | H27 | 4.3° | 106.4° |
| C32 | C33 | C34 | C37 | 55.9° | 49.0° |
| C33 | C32 | C30 | C49 | 161.1° | 166.0° |
| C33 | C32 | C30 | C29 | 28.8° | 40.0° |
| C33 | C32 | C41 | H4 | 64.0° | 58.5° |
| C33 | C32 | C41 | H5 | 176.0° | 61.5° |
| C33 | C32 | C41 | H6 | 56.0° | 178.5° |
| C33 | C32 | C45 | H7 | 65.5° | 171.7° |
| C33 | C32 | C45 | H8 | 54.5° | 68.3° |
| C33 | C32 | C45 | H9 | 174.5° | 51.7° |
| C33 | C32 | C30 | H22 | 85.5° | 78.4° |
| C32 | C33 | C34 | H26 | 64.3° | 167.6° |
| C32 | C33 | C34 | H27 | 176.2° | 73.5° |
| C30 | C32 | C33 | C34 | 30.7° | 40.0° |
| C32 | C30 | C49 | C29 | 134.4° | 129.5° |
| C32 | C30 | C49 | H22 | 113.2° | 116.1° |
| C32 | C30 | C29 | H22 | 114.3° | 118.5° |
| C32 | C30 | C49 | C52 | 170.8° | 168.3° |
| C32 | C30 | C29 | C37 | 59.2° | 52.8° |
| C32 | C30 | C29 | C54 | 62.0° | 68.0° |
| C32 | C30 | C29 | C28 | 179.3° | 174.4° |
| C30 | C32 | C41 | H4 | 55.0° | 177.6° |
| C30 | C32 | C41 | H5 | 65.0° | 57.6° |
| C30 | C32 | C41 | H6 | 175.0° | 62.4° |
| C30 | C32 | C45 | H7 | 56.4° | 64.5° |
| C30 | C32 | C45 | H8 | 176.4° | 55.5° |
| C30 | C32 | C45 | H9 | 63.6° | 175.4° |
| C32 | C30 | C49 | H10 | 69.2° | 50.7° |
| C32 | C30 | C49 | H11 | 50.8° | 71.9° |
| C33 | C34 | C37 | H26 | 120.3° | 118.6° |
| C33 | C34 | C37 | H27 | 120.3° | 122.1° |
| C33 | C34 | C37 | C29 | 19.5° | 56.3° |
| C33 | C34 | H26 | H27 | 119.2° | 120.4° |
| C33 | C34 | C37 | H28 | 140.6° | 176.4° |
| C33 | C34 | C37 | H29 | 101.7° | 64.0° |
| C34 | C37 | C29 | C30 | 32.4° | 60.3° |
| C34 | C37 | C29 | H28 | 121.1° | 120.0° |
| C34 | C37 | C29 | H29 | 121.2° | 120.3° |
| C34 | C37 | C29 | C54 | 92.6° | 62.1° |
| C34 | C37 | C29 | C28 | 153.4° | 176.8° |
| C37 | C34 | H26 | H27 | 119.2° | 121.2° |
| C34 | C37 | H28 | H29 | 116.4° | 119.8° |
| C49 | C30 | C29 | H22 | 112.5° | 114.3° |
| C30 | C49 | C52 | H10 | 120.1° | 118.6° |
| C30 | C49 | C52 | H11 | 120.0° | 121.6° |
| C49 | C30 | C29 | C37 | 167.6° | 180.0° |
| C49 | C30 | C29 | C54 | 71.1° | 59.3° |
| C49 | C30 | C29 | C28 | 46.1° | 58.4° |
| C30 | C49 | C52 | O53 | 145.0° | 142.8° |
| C30 | C49 | C52 | C27 | 36.1° | 37.2° |
| C30 | C49 | H10 | H11 | 119.8° | 124.5° |
| C29 | C30 | C49 | C52 | 54.8° | 62.3° |
| C30 | C29 | C37 | C54 | 125.0° | 122.4° |
| C30 | C29 | C37 | C28 | 121.0° | 122.9° |
| C30 | C29 | C54 | C28 | 121.2° | 120.8° |
| C30 | C29 | C28 | C27 | 18.3° | 25.0° |
| C30 | C29 | C28 | C58 | 161.5° | 154.2° |
| C29 | C30 | C49 | H10 | 65.3° | 179.9° |
| C29 | C30 | C49 | H11 | 174.8° | 57.5° |
| C30 | C29 | C37 | H28 | 88.7° | 179.7° |
| C30 | C29 | C37 | H29 | 153.6° | 60.0° |
| C30 | C29 | C54 | H30 | 180.0° | 174.6° |
| C30 | C29 | C54 | H31 | 60.0° | 65.4° |
| C30 | C29 | C54 | H32 | 60.0° | 54.7° |
| C49 | C52 | O53 | C27 | 178.9° | 180.0° |
| C49 | C52 | C27 | C28 | 8.1° | 5.7° |
| C49 | C52 | C27 | C20 | 170.7° | 174.9° |
| C52 | C49 | H10 | H11 | 119.8° | 120.3° |
| C52 | C49 | C30 | H22 | 57.6° | 52.2° |
| C37 | C29 | C54 | C28 | 118.9° | 116.6° |
| C37 | C29 | C28 | C27 | 137.0° | 148.1° |
| C37 | C29 | C28 | C58 | 42.9° | 31.2° |
| C37 | C29 | C30 | H22 | 55.1° | 65.7° |
| C29 | C37 | C34 | H26 | 100.8° | 174.9° |
| C29 | C37 | C34 | H27 | 139.7° | 65.8° |
| C29 | C37 | H28 | H29 | 116.4° | 120.0° |
| C37 | C29 | C54 | H30 | 60.1° | 62.8° |
| C37 | C29 | C54 | H31 | 59.9° | 57.2° |
| C37 | C29 | C54 | H32 | 179.9° | 177.3° |
| C54 | C29 | C28 | C27 | 105.8° | 95.7° |
| C54 | C29 | C28 | C58 | 74.4° | 85.0° |
| C54 | C29 | C30 | H22 | 176.4° | 173.5° |
| C54 | C29 | C37 | H28 | 146.2° | 57.9° |
| C54 | C29 | C37 | H29 | 28.5° | 177.6° |
| C29 | C54 | H30 | H31 | 120.0° | 119.9° |
| C29 | C54 | H30 | H32 | 120.0° | 120.0° |
| C29 | C54 | H31 | H32 | 120.0° | 120.0° |
| C29 | C28 | C27 | C52 | 1.3° | 1.6° |
| C29 | C28 | C27 | C58 | 179.8° | 179.3° |
| C29 | C28 | C27 | C20 | 179.8° | 177.8° |
| C29 | C28 | C58 | C61 | 159.9° | 178.7° |
| C29 | C28 | C58 | H12 | 78.8° | 57.5° |
| C29 | C28 | C58 | H13 | 38.7° | 57.8° |
| C28 | C29 | C30 | H22 | 66.4° | 55.8° |
| C28 | C29 | C37 | H28 | 32.3° | 56.8° |
| C28 | C29 | C37 | H29 | 85.4° | 62.9° |
| C28 | C29 | C54 | H30 | 58.8° | 53.9° |
| C28 | C29 | C54 | H31 | 178.8° | 173.8° |
| C28 | C29 | C54 | H32 | 61.2° | 66.1° |
| O53 | C52 | C27 | C28 | 173.0° | 174.3° |
| O53 | C52 | C27 | C20 | 8.1° | 5.1° |
| O53 | C52 | C49 | H10 | 95.0° | 24.2° |
| O53 | C52 | C49 | H11 | 24.9° | 95.6° |
| C52 | C27 | C28 | C20 | 178.9° | 179.4° |
| C52 | C27 | C28 | C58 | 178.9° | 179.2° |
| C52 | C27 | C20 | C64 | 96.6° | 91.8° |
| C52 | C27 | C20 | C21 | 19.1° | 31.6° |
| C52 | C27 | C20 | C19 | 136.1° | 147.3° |
| C27 | C52 | C49 | H10 | 83.9° | 155.8° |
| C27 | C52 | C49 | H11 | 156.2° | 84.4° |
| C27 | C28 | C58 | C61 | 20.2° | 0.5° |
| C28 | C27 | C20 | C64 | 84.5° | 87.6° |
| C28 | C27 | C20 | C21 | 159.8° | 149.0° |
| C28 | C27 | C20 | C19 | 42.8° | 33.3° |
| C27 | C28 | C58 | H12 | 101.0° | 121.8° |
| C27 | C28 | C58 | H13 | 141.5° | 123.0° |
| C58 | C28 | C27 | C20 | 0.0° | 1.5° |
| C28 | C58 | C61 | H12 | 121.2° | 121.4° |
| C28 | C58 | C61 | H13 | 121.2° | 123.6° |
| C28 | C58 | C61 | C19 | 4.7° | 31.4° |
| C28 | C58 | H12 | H13 | 116.1° | 116.8° |
| C28 | C58 | C61 | H33 | 115.9° | 93.5° |
| C28 | C58 | C61 | H34 | 125.3° | 149.4° |
| C27 | C20 | C64 | C21 | 127.2° | 129.5° |
| C27 | C20 | C64 | C19 | 120.6° | 119.9° |
| C27 | C20 | C21 | C19 | 121.2° | 119.6° |
| C27 | C20 | C21 | C24 | 161.0° | 160.5° |
| C27 | C20 | C19 | C68 | 56.1° | 56.9° |
| C27 | C20 | C19 | C61 | 63.9° | 63.6° |
| C27 | C20 | C19 | C17 | 174.6° | 172.6° |
| C27 | C20 | C21 | H18 | 41.8° | 40.6° |
| C27 | C20 | C21 | H19 | 79.8° | 82.0° |
| C27 | C20 | C64 | H35 | 180.0° | 68.1° |
| C27 | C20 | C64 | H36 | 60.0° | 52.0° |
| C27 | C20 | C64 | H37 | 60.0° | 172.0° |
| C58 | C61 | C19 | C20 | 44.5° | 62.4° |
| C58 | C61 | C19 | C68 | 77.7° | 58.8° |
| C58 | C61 | C19 | H33 | 120.6° | 124.1° |
| C58 | C61 | C19 | H34 | 120.6° | 117.9° |
| C58 | C61 | C19 | C17 | 157.9° | 176.3° |
| C61 | C58 | H12 | H13 | 116.2° | 116.5° |
| C58 | C61 | H33 | H34 | 118.2° | 118.2° |
| C64 | C20 | C21 | C19 | 124.7° | 116.7° |
| C64 | C20 | C21 | C24 | 84.9° | 75.9° |
| C64 | C20 | C19 | C68 | 172.7° | 176.3° |
| C64 | C20 | C19 | C61 | 52.8° | 55.8° |
| C64 | C20 | C19 | C17 | 68.7° | 67.9° |
| C64 | C20 | C21 | H18 | 155.9° | 164.2° |
| C64 | C20 | C21 | H19 | 34.3° | 41.6° |
| C20 | C64 | H35 | H36 | 120.0° | 120.0° |
| C20 | C64 | H35 | H37 | 120.0° | 120.0° |
| C20 | C64 | H36 | H37 | 120.0° | 119.9° |
| C20 | C21 | C24 | H18 | 119.2° | 119.9° |
| C20 | C21 | C24 | H19 | 119.2° | 117.4° |
| C21 | C20 | C19 | C68 | 73.0° | 69.1° |
| C21 | C20 | C19 | C61 | 167.0° | 170.4° |
| C21 | C20 | C19 | C17 | 45.5° | 46.7° |
| C20 | C21 | C24 | C17 | 19.2° | 19.6° |
| C20 | C21 | H18 | H19 | 122.3° | 122.7° |
| C20 | C21 | C24 | H20 | 138.9° | 100.2° |
| C20 | C21 | C24 | H21 | 100.4° | 138.9° |
| C21 | C20 | C64 | H35 | 52.9° | 61.4° |
| C21 | C20 | C64 | H36 | 67.2° | 178.5° |
| C21 | C20 | C64 | H37 | 172.8° | 58.5° |
| C19 | C20 | C21 | C24 | 39.8° | 40.8° |
| C20 | C19 | C68 | C61 | 119.2° | 118.8° |
| C20 | C19 | C68 | C17 | 113.8° | 111.6° |
| C20 | C19 | C61 | C17 | 113.3° | 113.9° |
| C20 | C19 | C17 | C24 | 33.7° | 34.3° |
| C20 | C19 | C17 | C15 | 161.9° | 152.6° |
| C20 | C19 | C17 | H17 | 77.4° | 85.6° |
| C19 | C20 | C21 | H18 | 79.4° | 79.1° |
| C19 | C20 | C21 | H19 | 159.0° | 158.3° |
| C20 | C19 | C61 | H33 | 76.1° | 61.7° |
| C20 | C19 | C61 | H34 | 165.1° | 179.7° |
| C19 | C20 | C64 | H35 | 59.4° | 172.1° |
| C19 | C20 | C64 | H36 | 179.4° | 67.9° |
| C19 | C20 | C64 | H37 | 60.6° | 52.1° |
| C20 | C19 | C68 | H38 | 180.0° | 58.1° |
| C20 | C19 | C68 | H39 | 60.0° | 61.9° |
| C20 | C19 | C68 | H40 | 60.0° | 178.1° |
| C21 | C24 | C17 | C19 | 9.2° | 8.9° |
| C21 | C24 | C17 | H20 | 119.6° | 119.9° |
| C21 | C24 | C17 | H21 | 119.6° | 119.3° |
| C21 | C24 | C17 | C15 | 143.5° | 126.9° |
| C21 | C24 | C17 | H17 | 101.8° | 110.7° |
| C24 | C21 | H18 | H19 | 122.3° | 122.9° |
| C21 | C24 | H20 | H21 | 121.1° | 121.1° |
| C68 | C19 | C61 | C17 | 124.4° | 124.9° |
| C68 | C19 | C17 | C24 | 86.5° | 83.3° |
| C68 | C19 | C17 | C15 | 41.8° | 35.0° |
| C68 | C19 | C17 | H17 | 162.5° | 156.8° |
| C68 | C19 | C61 | H33 | 161.6° | 177.2° |
| C68 | C19 | C61 | H34 | 42.8° | 59.2° |
| C19 | C68 | H38 | H39 | 120.0° | 120.0° |
| C19 | C68 | H38 | H40 | 120.0° | 120.0° |
| C19 | C68 | H39 | H40 | 120.0° | 120.0° |
| C61 | C19 | C17 | C24 | 150.0° | 151.1° |
| C61 | C19 | C17 | C15 | 81.8° | 90.6° |
| C19 | C61 | C58 | H12 | 125.9° | 152.8° |
| C19 | C61 | C58 | H13 | 116.5° | 92.1° |
| C61 | C19 | C17 | H17 | 38.9° | 31.3° |
| C19 | C61 | H33 | H34 | 118.2° | 119.1° |
| C61 | C19 | C68 | H38 | 60.8° | 60.7° |
| C61 | C19 | C68 | H39 | 59.2° | 179.3° |
| C61 | C19 | C68 | H40 | 179.2° | 59.3° |
| C19 | C17 | C24 | C15 | 134.3° | 118.0° |
| C19 | C17 | C24 | H17 | 111.0° | 119.6° |
| C19 | C17 | C15 | H17 | 120.7° | 122.2° |
| C19 | C17 | C15 | C72 | 57.3° | 65.7° |
| C19 | C17 | C15 | C12 | 178.4° | 174.3° |
| C19 | C17 | C15 | H16 | 61.7° | 54.3° |
| C19 | C17 | C24 | H20 | 110.4° | 128.8° |
| C19 | C17 | C24 | H21 | 128.9° | 110.4° |
| C17 | C19 | C61 | H33 | 37.2° | 52.3° |
| C17 | C19 | C61 | H34 | 81.5° | 65.8° |
| C17 | C19 | C68 | H38 | 66.2° | 169.6° |
| C17 | C19 | C68 | H39 | 173.8° | 49.7° |
| C17 | C19 | C68 | H40 | 53.8° | 70.4° |
| C24 | C17 | C15 | H17 | 114.8° | 123.0° |
| C24 | C17 | C15 | C72 | 178.2° | 179.4° |
| C24 | C17 | C15 | C12 | 53.9° | 59.5° |
| C24 | C17 | C15 | H16 | 62.9° | 60.5° |
| C17 | C24 | C21 | H18 | 100.0° | 100.3° |
| C17 | C24 | C21 | H19 | 138.4° | 137.0° |
| C17 | C24 | H20 | H21 | 121.0° | 121.0° |
| C17 | C15 | C72 | C12 | 125.0° | 120.0° |
| C17 | C15 | C72 | H16 | 118.8° | 120.0° |
| C17 | C15 | C12 | H16 | 116.6° | 120.0° |
| C17 | C15 | C12 | C9 | 84.8° | 175.0° |
| C17 | C15 | C12 | H14 | 154.1° | 55.0° |
| C17 | C15 | C12 | H15 | 36.2° | 65.0° |
| C15 | C17 | C24 | H20 | 23.9° | 113.2° |
| C15 | C17 | C24 | H21 | 96.8° | 7.6° |
| C17 | C15 | C72 | H41 | 180.0° | 65.1° |
| C17 | C15 | C72 | H42 | 60.0° | 174.9° |
| C17 | C15 | C72 | H43 | 60.0° | 55.0° |
| C72 | C15 | C12 | H16 | 116.2° | 120.0° |
| C72 | C15 | C12 | C9 | 42.4° | 65.0° |
| C72 | C15 | C12 | H14 | 78.6° | 175.0° |
| C72 | C15 | C12 | H15 | 163.4° | 55.0° |
| C72 | C15 | C17 | H17 | 63.4° | 56.5° |
| C15 | C72 | H41 | H42 | 120.0° | 120.0° |
| C15 | C72 | H41 | H43 | 120.0° | 120.0° |
| C15 | C72 | H42 | H43 | 120.0° | 120.0° |
| C15 | C12 | C9 | H14 | 121.0° | 120.0° |
| C15 | C12 | C9 | H15 | 121.0° | 120.0° |
| C15 | C12 | C9 | C7 | 102.7° | 180.0° |
| C15 | C12 | H14 | H15 | 116.8° | 120.0° |
| C12 | C15 | C17 | H17 | 60.9° | 63.5° |
| C15 | C12 | C9 | H24 | 17.3° | 60.0° |
| C15 | C12 | C9 | H25 | 137.2° | 59.9° |
| C12 | C15 | C72 | H41 | 55.0° | 174.9° |
| C12 | C15 | C72 | H42 | 65.0° | 54.9° |
| C12 | C15 | C72 | H43 | 175.0° | 65.0° |
| C12 | C9 | C7 | H24 | 120.0° | 120.0° |
| C12 | C9 | C7 | H25 | 120.0° | 120.0° |
| C12 | C9 | C7 | C6 | 102.7° | 125.5° |
| C9 | C12 | H14 | H15 | 116.8° | 120.0° |
| C9 | C12 | C15 | H16 | 158.6° | 54.9° |
| C12 | C9 | C7 | H23 | 77.3° | 54.4° |
| C12 | C9 | H24 | H25 | 119.9° | 120.0° |
| C9 | C7 | C6 | H23 | 180.0° | 179.9° |
| C9 | C7 | C6 | C3 | 179.8° | 173.7° |
| C9 | C7 | C6 | C76 | 0.4° | 6.4° |
| C7 | C9 | C12 | H14 | 136.2° | 60.0° |
| C7 | C9 | C12 | H15 | 18.3° | 60.0° |
| C7 | C9 | H24 | H25 | 119.9° | 120.0° |
| C7 | C6 | C3 | C76 | 179.4° | 179.9° |
| C7 | C6 | C3 | O1 | 110.0° | 0.1° |
| C7 | C6 | C3 | H1 | 129.8° | 119.9° |
| C7 | C6 | C3 | H2 | 10.2° | 120.0° |
| C6 | C7 | C9 | H24 | 137.3° | 5.6° |
| C6 | C7 | C9 | H25 | 17.4° | 114.4° |
| C7 | C6 | C76 | H44 | 180.0° | 85.1° |
| C7 | C6 | C76 | H45 | 60.0° | 34.9° |
| C7 | C6 | C76 | H46 | 60.0° | 155.0° |
| C6 | C3 | O1 | H1 | 120.2° | 120.0° |
| C6 | C3 | O1 | H2 | 120.2° | 120.0° |
| C6 | C3 | H1 | H2 | 119.4° | 120.0° |
| C6 | C3 | O1 | H3 | 180.0° | 180.0° |
| C3 | C6 | C7 | H23 | 0.2° | 6.2° |
| C3 | C6 | C76 | H44 | 0.6° | 95.0° |
| C3 | C6 | C76 | H45 | 119.4° | 145.0° |
| C3 | C6 | C76 | H46 | 120.6° | 24.9° |
| O1 | C3 | C6 | C76 | 69.5° | 180.0° |
| O1 | C3 | H1 | H2 | 119.4° | 120.0° |
| C76 | C6 | C3 | H1 | 50.7° | 60.0° |
| C76 | C6 | C3 | H2 | 170.3° | 60.1° |
| C76 | C6 | C7 | H23 | 179.6° | 173.7° |
| C6 | C76 | H44 | H45 | 120.0° | 120.0° |
| C6 | C76 | H44 | H46 | 120.0° | 120.0° |
| C6 | C76 | H45 | H46 | 120.0° | 120.1° |
| H1 | C3 | O1 | H3 | 59.8° | 60.0° |
| H2 | C3 | O1 | H3 | 59.8° | 60.0° |
| H4 | C41 | H5 | H6 | 120.0° | 120.1° |
| H7 | C45 | H8 | H9 | 120.0° | 120.0° |
| H10 | C49 | C30 | H22 | 177.6° | 65.4° |
| H11 | C49 | C30 | H22 | 62.4° | 172.0° |
| H12 | C58 | C61 | H33 | 5.3° | 27.9° |
| H12 | C58 | C61 | H34 | 113.5° | 89.2° |
| H13 | C58 | C61 | H33 | 122.9° | 143.0° |
| H13 | C58 | C61 | H34 | 4.1° | 25.9° |
| H14 | C12 | C15 | H16 | 37.6° | 65.0° |
| H14 | C12 | C9 | H24 | 103.7° | 180.0° |
| H14 | C12 | C9 | H25 | 16.2° | 60.0° |
| H15 | C12 | C15 | H16 | 80.4° | 175.0° |
| H15 | C12 | C9 | H24 | 138.3° | 60.0° |
| H15 | C12 | C9 | H25 | 101.8° | 180.0° |
| H16 | C15 | C17 | H17 | 177.6° | 176.5° |
| H16 | C15 | C72 | H41 | 61.2° | 54.9° |
| H16 | C15 | C72 | H42 | 178.8° | 65.1° |
| H16 | C15 | C72 | H43 | 58.9° | 175.0° |
| H17 | C17 | C24 | H20 | 138.6° | 9.2° |
| H17 | C17 | C24 | H21 | 17.9° | 130.0° |
| H18 | C21 | C24 | H20 | 19.7° | 139.9° |
| H18 | C21 | C24 | H21 | 140.4° | 19.0° |
| H19 | C21 | C24 | H20 | 101.9° | 17.2° |
| H19 | C21 | C24 | H21 | 18.8° | 103.7° |
| H23 | C7 | C9 | H24 | 42.7° | 174.4° |
| H23 | C7 | C9 | H25 | 162.6° | 65.6° |
| H26 | C34 | C37 | H28 | 20.3° | 65.0° |
| H26 | C34 | C37 | H29 | 138.0° | 54.6° |
| H27 | C34 | C37 | H28 | 99.1° | 54.3° |
| H27 | C34 | C37 | H29 | 18.6° | 173.9° |
| H30 | C54 | H31 | H32 | 120.0° | 120.0° |
| H35 | C64 | H36 | H37 | 120.0° | 120.0° |
| H38 | C68 | H39 | H40 | 120.0° | 120.0° |
| H41 | C72 | H42 | H43 | 120.0° | 120.1° |
| H44 | C76 | H45 | H46 | 120.0° | 120.0° |
