94R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.52Å | 1.52Å | |
| C1 | C10 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | sing | 1.50Å | 1.52Å | |
| C5 | C6 | doub | 1.30Å | 1.34Å | |
| C10 | C19 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.52Å | 1.54Å | |
| C6 | C7 | sing | 1.50Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C14 | sing | 1.52Å | 1.53Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C14 | C13 | sing | 1.55Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C18 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C28 | C24 | doub | 1.31Å | 1.33Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C15 | H41 | sing | 1.09Å | 1.10Å | |
| C14 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C7 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 109.6° | 109.5° |
| O1 | C3 | C4 | 108.4° | 109.4° |
| C3 | O1 | H3 | 109.5° | 114.0° |
| O1 | C3 | H6 | 110.2° | 109.4° |
| C2 | C3 | C4 | 110.8° | 109.5° |
| C3 | C2 | C1 | 110.7° | 109.7° |
| C3 | C2 | H4 | 109.2° | 109.5° |
| C3 | C2 | H5 | 109.2° | 109.4° |
| C2 | C3 | H6 | 108.9° | 109.5° |
| C3 | C4 | C5 | 111.7° | 108.4° |
| C4 | C3 | H6 | 108.9° | 109.5° |
| C3 | C4 | H7 | 108.9° | 109.7° |
| C3 | C4 | H8 | 108.9° | 109.7° |
| C2 | C1 | C10 | 114.4° | 109.4° |
| C2 | C1 | H1 | 108.2° | 109.5° |
| C2 | C1 | H2 | 108.2° | 109.5° |
| C1 | C2 | H4 | 109.2° | 109.5° |
| C1 | C2 | H5 | 109.2° | 109.4° |
| C4 | C5 | C10 | 120.0° | 117.9° |
| C4 | C5 | C6 | 117.4° | 118.3° |
| C5 | C4 | H7 | 108.9° | 109.7° |
| C5 | C4 | H8 | 108.9° | 109.7° |
| C1 | C10 | C5 | 108.7° | 109.4° |
| C1 | C10 | C19 | 109.8° | 108.1° |
| C1 | C10 | C9 | 109.0° | 110.1° |
| C10 | C1 | H1 | 108.2° | 109.5° |
| C10 | C1 | H2 | 108.2° | 109.5° |
| C10 | C5 | C6 | 122.6° | 123.8° |
| C5 | C10 | C19 | 107.2° | 108.1° |
| C5 | C10 | C9 | 109.2° | 113.3° |
| C5 | C6 | C7 | 124.1° | 123.1° |
| C5 | C6 | H46 | 117.9° | 118.4° |
| C19 | C10 | C9 | 112.9° | 107.6° |
| C10 | C19 | H9 | 109.5° | 109.5° |
| C10 | C19 | H10 | 109.5° | 109.5° |
| C10 | C19 | H11 | 109.5° | 109.4° |
| C10 | C9 | C11 | 113.8° | 109.7° |
| C10 | C9 | C8 | 112.4° | 110.5° |
| C10 | C9 | H12 | 106.0° | 108.3° |
| C6 | C7 | C8 | 113.3° | 109.2° |
| C6 | C7 | H44 | 108.5° | 109.5° |
| C6 | C7 | H45 | 108.5° | 109.5° |
| C7 | C6 | H46 | 118.0° | 118.5° |
| C11 | C9 | C8 | 111.8° | 111.8° |
| C9 | C11 | C12 | 113.7° | 111.7° |
| C11 | C9 | H12 | 106.0° | 108.4° |
| C9 | C11 | H13 | 108.4° | 109.1° |
| C9 | C11 | H14 | 108.4° | 109.0° |
| C9 | C8 | C7 | 110.0° | 108.2° |
| C9 | C8 | C14 | 109.7° | 107.6° |
| C8 | C9 | H12 | 106.1° | 107.9° |
| C9 | C8 | H43 | 109.1° | 110.2° |
| C11 | C12 | C13 | 112.1° | 107.1° |
| C12 | C11 | H13 | 108.4° | 109.0° |
| C12 | C11 | H14 | 108.4° | 109.0° |
| C11 | C12 | H15 | 108.8° | 109.9° |
| C11 | C12 | H16 | 108.8° | 109.9° |
| C7 | C8 | C14 | 109.6° | 109.5° |
| C7 | C8 | H43 | 109.3° | 111.0° |
| C8 | C7 | H44 | 108.5° | 109.5° |
| C8 | C7 | H45 | 108.5° | 109.5° |
| C8 | C14 | C13 | 115.4° | 107.2° |
| C8 | C14 | C15 | 118.1° | 116.0° |
| C8 | C14 | H42 | 106.2° | 110.8° |
| C14 | C8 | H43 | 109.1° | 110.3° |
| C12 | C13 | C14 | 105.4° | 107.1° |
| C12 | C13 | C18 | 110.9° | 109.9° |
| C12 | C13 | C17 | 115.6° | 116.4° |
| C13 | C12 | H15 | 108.8° | 110.0° |
| C13 | C12 | H16 | 108.8° | 109.9° |
| C13 | C14 | C15 | 103.8° | 101.7° |
| C14 | C13 | C18 | 113.2° | 109.8° |
| C14 | C13 | C17 | 99.8° | 103.5° |
| C13 | C14 | H42 | 106.3° | 110.4° |
| C14 | C15 | C16 | 103.5° | 103.1° |
| C14 | C15 | H40 | 110.9° | 110.8° |
| C14 | C15 | H41 | 110.9° | 110.6° |
| C15 | C14 | H42 | 106.2° | 110.2° |
| C18 | C13 | C17 | 111.4° | 109.8° |
| C13 | C18 | H17 | 109.5° | 109.5° |
| C13 | C18 | H18 | 109.5° | 109.5° |
| C13 | C18 | H19 | 109.5° | 109.5° |
| C13 | C17 | C16 | 103.4° | 105.3° |
| C13 | C17 | C20 | 119.2° | 110.3° |
| C13 | C17 | H20 | 107.4° | 110.3° |
| C15 | C16 | C17 | 106.7° | 106.4° |
| C15 | C16 | H38 | 110.2° | 110.1° |
| C15 | C16 | H39 | 110.2° | 110.0° |
| C16 | C15 | H40 | 110.9° | 110.7° |
| C16 | C15 | H41 | 110.9° | 110.8° |
| C16 | C17 | C20 | 111.7° | 110.3° |
| C16 | C17 | H20 | 107.3° | 110.2° |
| C17 | C16 | H38 | 110.1° | 110.1° |
| C17 | C16 | H39 | 110.2° | 110.1° |
| C17 | C20 | C21 | 114.8° | 109.5° |
| C17 | C20 | C22 | 110.3° | 109.5° |
| C20 | C17 | H20 | 107.3° | 110.4° |
| C17 | C20 | H21 | 107.4° | 109.5° |
| C21 | C20 | C22 | 108.9° | 109.5° |
| C21 | C20 | H21 | 107.6° | 109.4° |
| C20 | C21 | H35 | 109.5° | 109.4° |
| C20 | C21 | H36 | 109.5° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.4° |
| C20 | C22 | C23 | 109.2° | 109.5° |
| C22 | C20 | H21 | 107.5° | 109.5° |
| C20 | C22 | H22 | 109.5° | 109.4° |
| C20 | C22 | H23 | 109.6° | 109.4° |
| C22 | C23 | C24 | 113.9° | 109.5° |
| C23 | C22 | H22 | 109.5° | 109.5° |
| C23 | C22 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 108.4° | 109.5° |
| C22 | C23 | H25 | 108.4° | 109.5° |
| C23 | C24 | C28 | 123.3° | 120.0° |
| C23 | C24 | C25 | 117.4° | 120.0° |
| C24 | C23 | H24 | 108.4° | 109.4° |
| C24 | C23 | H25 | 108.4° | 109.4° |
| C28 | C24 | C25 | 119.2° | 120.0° |
| C24 | C28 | H26 | 120.0° | 120.0° |
| C24 | C28 | H27 | 120.0° | 120.0° |
| C24 | C25 | C27 | 111.3° | 109.5° |
| C24 | C25 | C26 | 107.8° | 109.5° |
| C24 | C25 | H28 | 108.4° | 109.5° |
| C27 | C25 | C26 | 113.2° | 109.5° |
| C27 | C25 | H28 | 108.0° | 109.4° |
| C25 | C27 | H29 | 109.5° | 109.5° |
| C25 | C27 | H30 | 109.4° | 109.5° |
| C25 | C27 | H31 | 109.5° | 109.5° |
| C26 | C25 | H28 | 108.0° | 109.5° |
| C25 | C26 | H32 | 109.5° | 109.5° |
| C25 | C26 | H33 | 109.5° | 109.5° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.7° |
| H9 | C19 | H10 | 109.4° | 109.5° |
| H9 | C19 | H11 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.0° |
| H15 | C12 | H16 | 109.5° | 110.0° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.4° | 109.5° |
| H26 | C28 | H27 | 120.0° | 120.0° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H29 | C27 | H31 | 109.5° | 109.4° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.4° | 109.5° |
| H32 | C26 | H34 | 109.4° | 109.4° |
| H33 | C26 | H34 | 109.5° | 109.4° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| H35 | C21 | H37 | 109.4° | 109.5° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| H38 | C16 | H39 | 109.5° | 110.1° |
| H40 | C15 | H41 | 109.5° | 110.6° |
| H44 | C7 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | C4 | 119.6° | 120.0° |
| O1 | C3 | C2 | H6 | 120.7° | 120.0° |
| O1 | C3 | C4 | H6 | 119.9° | 119.9° |
| O1 | C3 | C2 | C1 | 177.6° | 176.3° |
| O1 | C3 | C4 | C5 | 170.9° | 175.2° |
| O1 | C3 | C2 | H4 | 62.3° | 63.6° |
| O1 | C3 | C2 | H5 | 57.4° | 56.3° |
| O1 | C3 | C4 | H7 | 50.5° | 55.5° |
| O1 | C3 | C4 | H8 | 68.8° | 65.1° |
| C2 | C3 | C4 | H6 | 119.8° | 120.1° |
| C3 | C2 | C1 | H4 | 120.2° | 120.1° |
| C3 | C2 | C1 | H5 | 120.2° | 120.0° |
| C2 | C3 | C4 | C5 | 50.6° | 55.2° |
| C3 | C2 | C1 | C10 | 58.3° | 62.8° |
| C3 | C2 | C1 | H1 | 62.4° | 57.2° |
| C3 | C2 | C1 | H2 | 179.0° | 177.2° |
| C2 | C3 | O1 | H3 | 180.0° | 180.0° |
| C3 | C2 | H4 | H5 | 119.5° | 119.9° |
| C2 | C3 | C4 | H7 | 69.8° | 64.5° |
| C2 | C3 | C4 | H8 | 170.9° | 175.0° |
| C4 | C3 | C2 | C1 | 58.0° | 63.8° |
| C3 | C4 | C5 | H7 | 120.3° | 119.7° |
| C3 | C4 | C5 | H8 | 120.4° | 119.7° |
| C3 | C4 | C5 | C10 | 45.4° | 51.5° |
| C3 | C4 | C5 | C6 | 136.2° | 128.7° |
| C4 | C3 | O1 | H3 | 59.0° | 60.0° |
| C4 | C3 | C2 | H4 | 178.2° | 56.3° |
| C4 | C3 | C2 | H5 | 62.2° | 176.3° |
| C3 | C4 | H7 | H8 | 119.0° | 120.5° |
| C2 | C1 | C10 | H1 | 120.7° | 120.0° |
| C2 | C1 | C10 | H2 | 120.7° | 120.0° |
| C2 | C1 | C10 | C5 | 48.0° | 54.3° |
| C2 | C1 | C10 | C19 | 68.9° | 63.3° |
| C2 | C1 | C10 | C9 | 167.0° | 179.4° |
| C2 | C1 | H1 | H2 | 117.8° | 120.1° |
| C1 | C2 | H4 | H5 | 119.4° | 119.9° |
| C1 | C2 | C3 | H6 | 61.8° | 56.3° |
| C4 | C5 | C10 | C1 | 42.6° | 51.1° |
| C4 | C5 | C10 | C6 | 178.3° | 179.8° |
| C4 | C5 | C10 | C19 | 75.9° | 66.4° |
| C4 | C5 | C10 | C9 | 161.4° | 174.4° |
| C4 | C5 | C6 | C7 | 178.6° | 179.6° |
| C5 | C4 | C3 | H6 | 69.2° | 64.9° |
| C5 | C4 | H7 | H8 | 119.0° | 120.6° |
| C4 | C5 | C6 | H46 | 1.4° | 0.4° |
| C1 | C10 | C5 | C19 | 118.6° | 117.6° |
| C1 | C10 | C5 | C9 | 118.8° | 123.2° |
| C1 | C10 | C5 | C6 | 139.0° | 129.0° |
| C1 | C10 | C19 | C9 | 121.8° | 118.9° |
| C1 | C10 | C9 | C11 | 62.2° | 76.4° |
| C1 | C10 | C9 | C8 | 169.4° | 159.8° |
| C10 | C1 | H1 | H2 | 117.8° | 120.0° |
| C10 | C1 | C2 | H4 | 178.5° | 57.3° |
| C10 | C1 | C2 | H5 | 61.9° | 177.2° |
| C1 | C10 | C19 | H9 | 180.0° | 59.9° |
| C1 | C10 | C19 | H10 | 60.0° | 180.0° |
| C1 | C10 | C19 | H11 | 60.0° | 60.0° |
| C1 | C10 | C9 | H12 | 54.0° | 41.8° |
| C5 | C10 | C19 | C9 | 120.3° | 122.8° |
| C10 | C5 | C6 | C7 | 0.2° | 0.5° |
| C5 | C10 | C9 | C11 | 179.2° | 160.7° |
| C5 | C10 | C9 | C8 | 50.8° | 36.9° |
| C5 | C10 | C1 | H1 | 72.7° | 65.8° |
| C5 | C10 | C1 | H2 | 168.7° | 174.3° |
| C10 | C5 | C4 | H7 | 74.9° | 68.2° |
| C10 | C5 | C4 | H8 | 165.8° | 171.2° |
| C5 | C10 | C19 | H9 | 62.1° | 58.4° |
| C5 | C10 | C19 | H10 | 177.9° | 61.6° |
| C5 | C10 | C19 | H11 | 57.9° | 178.4° |
| C5 | C10 | C9 | H12 | 64.7° | 81.1° |
| C10 | C5 | C6 | H46 | 179.8° | 179.5° |
| C6 | C5 | C10 | C19 | 102.4° | 113.4° |
| C6 | C5 | C10 | C9 | 20.2° | 5.8° |
| C5 | C6 | C7 | H46 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 10.0° | 26.5° |
| C6 | C5 | C4 | H7 | 103.5° | 111.6° |
| C6 | C5 | C4 | H8 | 15.8° | 9.0° |
| C5 | C6 | C7 | H44 | 130.6° | 93.5° |
| C5 | C6 | C7 | H45 | 110.5° | 146.4° |
| C19 | C10 | C9 | C11 | 60.1° | 41.2° |
| C19 | C10 | C9 | C8 | 68.3° | 82.6° |
| C19 | C10 | C1 | H1 | 170.4° | 176.7° |
| C19 | C10 | C1 | H2 | 51.8° | 56.7° |
| C10 | C19 | H9 | H10 | 120.0° | 120.1° |
| C10 | C19 | H9 | H11 | 120.0° | 119.9° |
| C10 | C19 | H10 | H11 | 120.0° | 120.0° |
| C19 | C10 | C9 | H12 | 176.2° | 159.4° |
| C10 | C9 | C11 | C8 | 128.7° | 123.0° |
| C10 | C9 | C11 | H12 | 116.1° | 118.1° |
| C10 | C9 | C8 | H12 | 115.4° | 118.3° |
| C10 | C9 | C11 | C12 | 177.4° | 176.8° |
| C10 | C9 | C8 | C7 | 61.9° | 62.8° |
| C10 | C9 | C8 | C14 | 177.4° | 179.0° |
| C9 | C10 | C1 | H1 | 46.3° | 59.4° |
| C9 | C10 | C1 | H2 | 72.3° | 60.6° |
| C9 | C10 | C19 | H9 | 58.2° | 178.8° |
| C9 | C10 | C19 | H10 | 61.8° | 61.2° |
| C9 | C10 | C19 | H11 | 178.2° | 58.9° |
| C10 | C9 | C11 | H13 | 62.0° | 62.6° |
| C10 | C9 | C11 | H14 | 56.8° | 56.3° |
| C10 | C9 | C8 | H43 | 57.9° | 58.7° |
| C6 | C7 | C8 | C9 | 39.3° | 56.0° |
| C6 | C7 | C8 | H44 | 120.5° | 120.0° |
| C6 | C7 | C8 | H45 | 120.6° | 119.9° |
| C6 | C7 | C8 | C14 | 160.0° | 173.0° |
| C6 | C7 | C8 | H43 | 80.4° | 65.0° |
| C6 | C7 | H44 | H45 | 118.3° | 120.1° |
| C11 | C9 | C8 | H12 | 115.2° | 119.2° |
| C9 | C11 | C12 | H13 | 120.6° | 120.6° |
| C9 | C11 | C12 | H14 | 120.6° | 120.6° |
| C11 | C9 | C8 | C7 | 168.6° | 174.6° |
| C11 | C9 | C8 | C14 | 48.0° | 56.4° |
| C9 | C11 | C12 | C13 | 54.9° | 57.5° |
| C9 | C11 | H13 | H14 | 118.1° | 118.9° |
| C9 | C11 | C12 | H15 | 65.4° | 62.0° |
| C9 | C11 | C12 | H16 | 175.3° | 176.8° |
| C11 | C9 | C8 | H43 | 71.5° | 63.8° |
| C8 | C9 | C11 | C12 | 48.8° | 53.8° |
| C9 | C8 | C7 | C14 | 120.6° | 117.0° |
| C9 | C8 | C7 | H43 | 119.8° | 121.0° |
| C9 | C8 | C14 | H43 | 119.5° | 120.3° |
| C9 | C8 | C14 | C13 | 57.7° | 63.9° |
| C9 | C8 | C14 | C15 | 178.7° | 176.7° |
| C8 | C9 | C11 | H13 | 169.4° | 174.4° |
| C8 | C9 | C11 | H14 | 71.8° | 66.7° |
| C9 | C8 | C14 | H42 | 59.7° | 56.7° |
| C9 | C8 | C7 | H44 | 159.9° | 63.9° |
| C9 | C8 | C7 | H45 | 81.2° | 176.0° |
| C11 | C12 | C13 | H15 | 120.4° | 119.5° |
| C11 | C12 | C13 | H16 | 120.4° | 119.3° |
| C11 | C12 | C13 | C14 | 57.8° | 65.0° |
| C11 | C12 | C13 | C18 | 65.1° | 54.3° |
| C11 | C12 | C13 | C17 | 166.8° | 179.9° |
| C12 | C11 | C9 | H12 | 66.5° | 65.1° |
| C12 | C11 | H13 | H14 | 118.0° | 118.8° |
| C11 | C12 | H15 | H16 | 118.8° | 121.1° |
| C7 | C8 | C14 | H43 | 119.7° | 122.4° |
| C7 | C8 | C14 | C13 | 178.6° | 178.7° |
| C7 | C8 | C14 | C15 | 57.8° | 66.0° |
| C7 | C8 | C9 | H12 | 53.5° | 55.5° |
| C7 | C8 | C14 | H42 | 61.2° | 60.7° |
| C8 | C7 | H44 | H45 | 118.3° | 120.1° |
| C8 | C7 | C6 | H46 | 170.0° | 153.5° |
| C8 | C14 | C13 | C12 | 61.4° | 70.3° |
| C8 | C14 | C13 | C15 | 130.8° | 122.2° |
| C8 | C14 | C13 | H42 | 117.3° | 120.8° |
| C8 | C14 | C15 | H42 | 119.0° | 127.0° |
| C8 | C14 | C13 | C18 | 60.0° | 49.0° |
| C8 | C14 | C13 | C17 | 178.5° | 166.2° |
| C8 | C14 | C15 | C16 | 164.1° | 157.2° |
| C14 | C8 | C9 | H12 | 67.2° | 62.8° |
| C8 | C14 | C15 | H40 | 45.1° | 84.3° |
| C8 | C14 | C15 | H41 | 76.8° | 38.7° |
| C14 | C8 | C7 | H44 | 79.5° | 53.0° |
| C14 | C8 | C7 | H45 | 39.4° | 67.0° |
| C12 | C13 | C14 | C18 | 121.4° | 119.3° |
| C12 | C13 | C14 | C17 | 120.2° | 123.5° |
| C12 | C13 | C14 | C15 | 167.8° | 167.5° |
| C12 | C13 | C18 | C17 | 130.3° | 129.3° |
| C12 | C13 | C17 | C16 | 153.9° | 146.2° |
| C12 | C13 | C17 | C20 | 81.5° | 94.9° |
| C13 | C12 | C11 | H13 | 175.6° | 178.1° |
| C13 | C12 | C11 | H14 | 65.7° | 63.1° |
| C13 | C12 | H15 | H16 | 118.8° | 121.2° |
| C12 | C13 | C18 | H17 | 180.0° | 58.8° |
| C12 | C13 | C18 | H18 | 60.0° | 178.8° |
| C12 | C13 | C18 | H19 | 60.0° | 61.2° |
| C12 | C13 | C17 | H20 | 40.7° | 27.2° |
| C12 | C13 | C14 | H42 | 56.0° | 50.5° |
| C13 | C14 | C15 | H42 | 111.9° | 117.1° |
| C14 | C13 | C18 | C17 | 111.5° | 113.2° |
| C13 | C14 | C15 | C16 | 34.9° | 41.2° |
| C14 | C13 | C17 | C16 | 41.5° | 29.0° |
| C14 | C13 | C17 | C20 | 166.1° | 148.0° |
| C14 | C13 | C12 | H15 | 62.6° | 54.5° |
| C14 | C13 | C12 | H16 | 178.1° | 175.7° |
| C14 | C13 | C18 | H17 | 61.8° | 58.7° |
| C14 | C13 | C18 | H18 | 178.3° | 61.3° |
| C14 | C13 | C18 | H19 | 58.2° | 178.7° |
| C14 | C13 | C17 | H20 | 71.8° | 89.9° |
| C13 | C14 | C15 | H40 | 84.1° | 159.7° |
| C13 | C14 | C15 | H41 | 154.0° | 77.2° |
| C13 | C14 | C8 | H43 | 61.8° | 56.3° |
| C15 | C14 | C13 | C18 | 70.8° | 73.2° |
| C15 | C14 | C13 | C17 | 47.6° | 44.0° |
| C14 | C15 | C16 | H40 | 119.0° | 118.5° |
| C14 | C15 | C16 | H41 | 119.1° | 118.3° |
| C14 | C15 | C16 | C17 | 8.2° | 23.8° |
| C14 | C15 | C16 | H38 | 127.7° | 95.5° |
| C14 | C15 | C16 | H39 | 111.4° | 143.0° |
| C14 | C15 | H40 | H41 | 122.7° | 123.0° |
| C15 | C14 | C8 | H43 | 61.8° | 56.4° |
| C18 | C13 | C17 | C16 | 78.2° | 88.2° |
| C18 | C13 | C17 | C20 | 46.4° | 30.8° |
| C18 | C13 | C12 | H15 | 174.5° | 173.7° |
| C18 | C13 | C12 | H16 | 55.3° | 65.1° |
| C13 | C18 | H17 | H18 | 120.0° | 120.0° |
| C13 | C18 | H17 | H19 | 120.0° | 120.0° |
| C13 | C18 | H18 | H19 | 120.0° | 120.0° |
| C18 | C13 | C17 | H20 | 168.5° | 152.9° |
| C18 | C13 | C14 | H42 | 177.4° | 169.8° |
| C13 | C17 | C16 | C15 | 20.9° | 3.4° |
| C13 | C17 | C16 | C20 | 129.4° | 119.0° |
| C13 | C17 | C16 | H20 | 113.3° | 118.9° |
| C13 | C17 | C20 | H20 | 122.2° | 122.1° |
| C13 | C17 | C20 | C21 | 48.1° | 65.8° |
| C13 | C17 | C20 | C22 | 171.6° | 174.2° |
| C17 | C13 | C12 | H15 | 46.4° | 60.7° |
| C17 | C13 | C12 | H16 | 72.8° | 60.6° |
| C17 | C13 | C18 | H17 | 49.7° | 171.9° |
| C17 | C13 | C18 | H18 | 70.3° | 51.9° |
| C17 | C13 | C18 | H19 | 169.7° | 68.1° |
| C13 | C17 | C20 | H21 | 71.5° | 54.1° |
| C13 | C17 | C16 | H38 | 98.7° | 122.6° |
| C13 | C17 | C16 | H39 | 140.5° | 115.8° |
| C17 | C13 | C14 | H42 | 64.2° | 73.0° |
| C15 | C16 | C17 | H38 | 119.6° | 119.2° |
| C15 | C16 | C17 | H39 | 119.6° | 119.2° |
| C15 | C16 | C17 | C20 | 150.3° | 122.4° |
| C15 | C16 | C17 | H20 | 92.4° | 115.5° |
| C15 | C16 | H38 | H39 | 121.3° | 121.5° |
| C16 | C15 | H40 | H41 | 122.8° | 123.2° |
| C16 | C15 | C14 | H42 | 76.9° | 75.9° |
| C16 | C17 | C20 | H20 | 117.3° | 122.0° |
| C16 | C17 | C20 | C21 | 168.6° | 178.3° |
| C16 | C17 | C20 | C22 | 67.9° | 58.3° |
| C16 | C17 | C20 | H21 | 49.0° | 61.8° |
| C17 | C16 | H38 | H39 | 121.3° | 121.6° |
| C17 | C16 | C15 | H40 | 110.8° | 142.3° |
| C17 | C16 | C15 | H41 | 127.3° | 94.6° |
| C17 | C20 | C21 | C22 | 124.3° | 120.0° |
| C17 | C20 | C21 | H21 | 119.5° | 120.0° |
| C17 | C20 | C22 | H21 | 116.9° | 120.0° |
| C17 | C20 | C22 | C23 | 129.3° | 175.0° |
| C17 | C20 | C22 | H22 | 9.4° | 55.0° |
| C17 | C20 | C22 | H23 | 110.7° | 65.0° |
| C17 | C20 | C21 | H35 | 180.0° | 63.5° |
| C17 | C20 | C21 | H36 | 60.0° | 176.5° |
| C17 | C20 | C21 | H37 | 60.0° | 56.5° |
| C20 | C17 | C16 | H38 | 30.7° | 118.4° |
| C20 | C17 | C16 | H39 | 90.1° | 3.2° |
| C21 | C20 | C22 | H21 | 116.3° | 119.9° |
| C21 | C20 | C22 | C23 | 103.8° | 65.0° |
| C21 | C20 | C17 | H20 | 74.1° | 56.2° |
| C21 | C20 | C22 | H22 | 136.2° | 175.1° |
| C21 | C20 | C22 | H23 | 16.1° | 55.1° |
| C20 | C21 | H35 | H36 | 120.0° | 120.0° |
| C20 | C21 | H35 | H37 | 120.0° | 119.9° |
| C20 | C21 | H36 | H37 | 120.0° | 120.0° |
| C20 | C22 | C23 | H22 | 120.0° | 119.9° |
| C20 | C22 | C23 | H23 | 119.9° | 120.0° |
| C20 | C22 | C23 | C24 | 171.2° | 180.0° |
| C22 | C20 | C17 | H20 | 49.4° | 63.8° |
| C20 | C22 | H22 | H23 | 120.2° | 120.0° |
| C20 | C22 | C23 | H24 | 50.6° | 60.0° |
| C20 | C22 | C23 | H25 | 68.1° | 60.0° |
| C22 | C20 | C21 | H35 | 55.7° | 176.5° |
| C22 | C20 | C21 | H36 | 64.3° | 56.5° |
| C22 | C20 | C21 | H37 | 175.7° | 63.6° |
| C22 | C23 | C24 | H24 | 120.7° | 120.0° |
| C22 | C23 | C24 | H25 | 120.7° | 120.0° |
| C22 | C23 | C24 | C28 | 44.4° | 95.0° |
| C22 | C23 | C24 | C25 | 137.7° | 84.9° |
| C23 | C22 | C20 | H21 | 12.5° | 55.0° |
| C23 | C22 | H22 | H23 | 120.1° | 120.1° |
| C22 | C23 | H24 | H25 | 118.0° | 120.1° |
| C23 | C24 | C28 | C25 | 177.8° | 179.9° |
| C23 | C24 | C25 | C27 | 125.9° | 60.1° |
| C23 | C24 | C25 | C26 | 109.4° | 59.9° |
| C24 | C23 | C22 | H22 | 68.8° | 60.1° |
| C24 | C23 | C22 | H23 | 51.3° | 60.0° |
| C24 | C23 | H24 | H25 | 118.0° | 119.9° |
| C23 | C24 | C28 | H26 | 177.9° | 179.9° |
| C23 | C24 | C28 | H27 | 2.2° | 0.0° |
| C23 | C24 | C25 | H28 | 7.2° | 180.0° |
| C28 | C24 | C25 | C27 | 56.2° | 120.0° |
| C28 | C24 | C25 | C26 | 68.5° | 120.0° |
| C28 | C24 | C23 | H24 | 165.0° | 25.1° |
| C28 | C24 | C23 | H25 | 76.3° | 145.0° |
| C24 | C28 | H26 | H27 | 180.0° | 180.0° |
| C28 | C24 | C25 | H28 | 174.8° | 0.1° |
| C24 | C25 | C27 | C26 | 121.6° | 120.1° |
| C24 | C25 | C27 | H28 | 118.9° | 120.0° |
| C24 | C25 | C26 | H28 | 116.9° | 120.0° |
| C25 | C24 | C23 | H24 | 17.1° | 155.0° |
| C25 | C24 | C23 | H25 | 101.6° | 35.1° |
| C25 | C24 | C28 | H26 | 0.0° | 0.0° |
| C25 | C24 | C28 | H27 | 180.0° | 179.9° |
| C24 | C25 | C27 | H29 | 180.0° | 60.0° |
| C24 | C25 | C27 | H30 | 60.0° | 180.0° |
| C24 | C25 | C27 | H31 | 60.0° | 59.9° |
| C24 | C25 | C26 | H32 | 180.0° | 60.0° |
| C24 | C25 | C26 | H33 | 60.0° | 180.0° |
| C24 | C25 | C26 | H34 | 60.0° | 60.0° |
| C27 | C25 | C26 | H28 | 119.5° | 120.0° |
| C25 | C27 | H29 | H30 | 120.0° | 120.0° |
| C25 | C27 | H29 | H31 | 120.0° | 120.0° |
| C25 | C27 | H30 | H31 | 120.0° | 120.1° |
| C27 | C25 | C26 | H32 | 56.4° | 180.0° |
| C27 | C25 | C26 | H33 | 176.4° | 60.0° |
| C27 | C25 | C26 | H34 | 63.6° | 60.0° |
| C26 | C25 | C27 | H29 | 58.4° | 60.0° |
| C26 | C25 | C27 | H30 | 61.6° | 60.0° |
| C26 | C25 | C27 | H31 | 178.4° | 180.0° |
| C25 | C26 | H32 | H33 | 120.0° | 120.0° |
| C25 | C26 | H32 | H34 | 120.0° | 120.0° |
| C25 | C26 | H33 | H34 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 57.8° | 177.3° |
| H1 | C1 | C2 | H5 | 177.4° | 62.8° |
| H2 | C1 | C2 | H4 | 60.8° | 62.7° |
| H2 | C1 | C2 | H5 | 58.8° | 57.2° |
| H3 | O1 | C3 | H6 | 60.1° | 59.9° |
| H4 | C2 | C3 | H6 | 58.4° | 176.4° |
| H5 | C2 | C3 | H6 | 178.1° | 63.7° |
| H6 | C3 | C4 | H7 | 170.5° | 175.4° |
| H6 | C3 | C4 | H8 | 51.1° | 54.9° |
| H9 | C19 | H10 | H11 | 120.0° | 120.0° |
| H12 | C9 | C11 | H13 | 54.2° | 55.5° |
| H12 | C9 | C11 | H14 | 172.9° | 174.4° |
| H12 | C9 | C8 | H43 | 173.3° | 177.0° |
| H13 | C11 | C12 | H15 | 55.2° | 58.6° |
| H13 | C11 | C12 | H16 | 64.1° | 62.6° |
| H14 | C11 | C12 | H15 | 173.9° | 177.4° |
| H14 | C11 | C12 | H16 | 54.7° | 56.2° |
| H17 | C18 | H18 | H19 | 120.0° | 120.0° |
| H20 | C17 | C20 | H21 | 166.3° | 176.2° |
| H20 | C17 | C16 | H38 | 148.0° | 3.7° |
| H20 | C17 | C16 | H39 | 27.2° | 125.3° |
| H21 | C20 | C22 | H22 | 107.5° | 65.0° |
| H21 | C20 | C22 | H23 | 132.4° | 175.0° |
| H21 | C20 | C21 | H35 | 60.5° | 56.5° |
| H21 | C20 | C21 | H36 | 179.5° | 63.5° |
| H21 | C20 | C21 | H37 | 59.5° | 176.5° |
| H22 | C22 | C23 | H24 | 170.5° | 180.0° |
| H22 | C22 | C23 | H25 | 51.9° | 59.9° |
| H23 | C22 | C23 | H24 | 69.4° | 60.0° |
| H23 | C22 | C23 | H25 | 172.0° | 180.0° |
| H28 | C25 | C27 | H29 | 61.1° | 180.0° |
| H28 | C25 | C27 | H30 | 178.9° | 60.0° |
| H28 | C25 | C27 | H31 | 58.9° | 60.1° |
| H28 | C25 | C26 | H32 | 63.1° | 60.0° |
| H28 | C25 | C26 | H33 | 56.9° | 60.0° |
| H28 | C25 | C26 | H34 | 176.9° | 180.0° |
| H29 | C27 | H30 | H31 | 120.0° | 119.9° |
| H32 | C26 | H33 | H34 | 119.9° | 119.9° |
| H35 | C21 | H36 | H37 | 119.9° | 120.0° |
| H38 | C16 | C15 | H40 | 8.7° | 23.0° |
| H38 | C16 | C15 | H41 | 113.2° | 146.2° |
| H39 | C16 | C15 | H40 | 129.6° | 98.4° |
| H39 | C16 | C15 | H41 | 7.7° | 24.7° |
| H40 | C15 | C14 | H42 | 164.0° | 42.6° |
| H41 | C15 | C14 | H42 | 42.1° | 165.7° |
| H42 | C14 | C8 | H43 | 179.2° | 176.9° |
| H43 | C8 | C7 | H44 | 40.1° | 175.0° |
| H43 | C8 | C7 | H45 | 159.0° | 54.9° |
| H44 | C7 | C6 | H46 | 49.5° | 86.5° |
| H45 | C7 | C6 | H46 | 69.4° | 33.6° |
