2CR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | doub | 1.21Å | 1.18Å | |
| O34 | C25 | sing | 1.43Å | 1.40Å | |
| C4 | C3 | sing | 1.55Å | 1.50Å | |
| C4 | C5 | sing | 1.55Å | 1.49Å | |
| C25 | C23 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C1 | sing | 1.53Å | 1.49Å | |
| C6 | O29 | sing | 1.45Å | 1.38Å | |
| C27 | O29 | sing | 1.34Å | 1.41Å | |
| C27 | C26 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | sing | 1.54Å | 1.49Å | |
| C5 | C1 | sing | 1.54Å | 1.50Å | |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| C2 | C1 | sing | 1.54Å | 1.48Å | |
| C2 | C30 | sing | 1.51Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | doub | 1.33Å | 1.32Å | |
| O32 | C30 | doub | 1.21Å | 1.23Å | |
| C30 | O31 | sing | 1.34Å | 1.23Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.46Å | 1.44Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | doub | 1.35Å | 1.33Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C13 | O33 | sing | 1.43Å | 1.41Å | |
| C13 | C11 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.43Å | 1.25Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C19 | C17 | sing | 1.53Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C12 | N35 | trip | 1.14Å | 1.14Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| O31 | H43 | sing | 0.97Å | 0.95Å | |
| O33 | H44 | sing | 0.97Å | 0.95Å | |
| O34 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | O29 | 120.7° | 120.0° |
| O28 | C27 | C26 | 122.3° | 119.9° |
| O34 | C25 | C23 | 110.2° | 109.5° |
| O34 | C25 | C26 | 105.3° | 109.5° |
| O34 | C25 | H40 | 110.8° | 109.5° |
| C25 | O34 | H45 | 109.5° | 114.0° |
| C3 | C4 | C5 | 106.8° | 102.8° |
| C4 | C3 | C2 | 108.3° | 104.2° |
| C4 | C3 | H3 | 109.7° | 110.5° |
| C4 | C3 | H4 | 109.7° | 110.6° |
| C3 | C4 | H5 | 110.1° | 110.7° |
| C3 | C4 | H6 | 110.1° | 110.7° |
| C4 | C5 | C1 | 107.3° | 104.2° |
| C5 | C4 | H5 | 110.1° | 110.8° |
| C5 | C4 | H6 | 110.1° | 110.8° |
| C4 | C5 | H7 | 110.0° | 110.5° |
| C4 | C5 | H8 | 110.0° | 110.5° |
| C23 | C25 | C26 | 111.8° | 109.4° |
| C25 | C23 | C24 | 107.5° | 109.4° |
| C25 | C23 | C22 | 114.1° | 109.5° |
| C25 | C23 | H36 | 109.8° | 109.5° |
| C23 | C25 | H40 | 109.3° | 109.5° |
| C25 | C26 | C27 | 108.3° | 109.4° |
| C26 | C25 | H40 | 109.5° | 109.5° |
| C25 | C26 | H41 | 109.7° | 109.5° |
| C25 | C26 | H42 | 109.8° | 109.4° |
| C7 | C6 | C1 | 94.8° | 109.4° |
| C7 | C6 | O29 | 111.5° | 109.5° |
| C6 | C7 | C8 | 115.7° | 109.5° |
| C7 | C6 | H9 | 113.4° | 109.5° |
| C6 | C7 | H10 | 107.9° | 109.5° |
| C6 | C7 | H11 | 107.9° | 109.4° |
| C1 | C6 | O29 | 105.6° | 109.5° |
| C6 | C1 | C5 | 106.2° | 110.0° |
| C6 | C1 | C2 | 115.0° | 110.1° |
| C6 | C1 | H1 | 109.1° | 110.0° |
| C1 | C6 | H9 | 113.8° | 109.4° |
| C6 | O29 | C27 | 117.0° | 117.1° |
| O29 | C6 | H9 | 115.7° | 109.5° |
| O29 | C27 | C26 | 117.0° | 120.1° |
| C27 | C26 | H41 | 109.8° | 109.5° |
| C27 | C26 | H42 | 109.7° | 109.5° |
| C3 | C2 | C1 | 106.0° | 106.6° |
| C3 | C2 | C30 | 108.2° | 110.0° |
| C3 | C2 | H2 | 110.9° | 110.1° |
| C2 | C3 | H3 | 109.7° | 110.4° |
| C2 | C3 | H4 | 109.8° | 110.5° |
| C5 | C1 | C2 | 108.3° | 106.6° |
| C5 | C1 | H1 | 108.9° | 110.0° |
| C1 | C5 | H7 | 110.0° | 110.4° |
| C1 | C5 | H8 | 110.0° | 110.5° |
| C7 | C8 | C9 | 125.6° | 120.0° |
| C8 | C7 | H10 | 107.9° | 109.4° |
| C8 | C7 | H11 | 107.9° | 109.5° |
| C7 | C8 | H12 | 117.2° | 120.0° |
| C1 | C2 | C30 | 109.3° | 110.0° |
| C2 | C1 | H1 | 109.2° | 110.1° |
| C1 | C2 | H2 | 111.1° | 110.0° |
| C2 | C30 | O32 | 116.1° | 120.0° |
| C2 | C30 | O31 | 119.8° | 120.0° |
| C30 | C2 | H2 | 111.2° | 110.0° |
| C24 | C23 | C22 | 105.6° | 109.5° |
| C24 | C23 | H36 | 109.8° | 109.5° |
| C23 | C24 | H37 | 109.5° | 109.4° |
| C23 | C24 | H38 | 109.5° | 109.5° |
| C23 | C24 | H39 | 109.5° | 109.5° |
| C23 | C22 | C20 | 114.1° | 109.5° |
| C23 | C22 | H34 | 108.3° | 109.4° |
| C23 | C22 | H35 | 108.3° | 109.5° |
| C22 | C23 | H36 | 109.8° | 109.5° |
| C8 | C9 | C10 | 108.2° | 120.0° |
| C9 | C8 | H12 | 117.2° | 120.0° |
| C8 | C9 | H14 | 125.9° | 120.0° |
| O32 | C30 | O31 | 124.1° | 120.0° |
| C30 | O31 | H43 | 109.5° | 117.0° |
| C21 | C20 | C22 | 111.1° | 109.5° |
| C21 | C20 | C19 | 110.2° | 109.5° |
| C21 | C20 | H30 | 109.7° | 109.5° |
| C20 | C21 | H31 | 109.5° | 109.4° |
| C20 | C21 | H32 | 109.5° | 109.4° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C9 | C10 | C11 | 136.5° | 120.0° |
| C10 | C9 | H14 | 125.9° | 120.0° |
| C9 | C10 | H16 | 111.8° | 120.0° |
| C22 | C20 | C19 | 106.5° | 109.4° |
| C22 | C20 | H30 | 109.6° | 109.5° |
| C20 | C22 | H34 | 108.3° | 109.5° |
| C20 | C22 | H35 | 108.3° | 109.5° |
| C10 | C11 | C13 | 112.7° | 120.0° |
| C10 | C11 | C12 | 128.4° | 120.0° |
| C11 | C10 | H16 | 111.7° | 120.0° |
| C20 | C19 | C17 | 112.5° | 109.4° |
| C20 | C19 | H28 | 108.7° | 109.5° |
| C20 | C19 | H29 | 108.7° | 109.4° |
| C19 | C20 | H30 | 109.6° | 109.5° |
| O33 | C13 | C11 | 110.7° | 109.5° |
| O33 | C13 | C14 | 110.5° | 109.5° |
| O33 | C13 | H17 | 110.3° | 109.4° |
| C13 | O33 | H44 | 109.5° | 114.0° |
| C11 | C13 | C14 | 107.0° | 109.4° |
| C13 | C11 | C12 | 118.9° | 120.0° |
| C11 | C13 | H17 | 109.2° | 109.5° |
| C13 | C14 | C15 | 111.0° | 109.5° |
| C13 | C14 | C16 | 111.1° | 109.4° |
| C14 | C13 | H17 | 109.1° | 109.5° |
| C13 | C14 | H18 | 108.0° | 109.5° |
| C15 | C14 | C16 | 110.7° | 109.5° |
| C15 | C14 | H18 | 108.0° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C11 | C12 | N35 | 174.8° | 180.0° |
| C14 | C16 | C17 | 109.1° | 109.5° |
| C16 | C14 | H18 | 107.9° | 109.5° |
| C14 | C16 | H22 | 109.6° | 109.5° |
| C14 | C16 | H23 | 109.6° | 109.5° |
| C16 | C17 | C19 | 111.5° | 109.5° |
| C16 | C17 | C18 | 109.5° | 109.4° |
| C17 | C16 | H22 | 109.5° | 109.5° |
| C17 | C16 | H23 | 109.6° | 109.4° |
| C16 | C17 | H24 | 109.1° | 109.4° |
| C19 | C17 | C18 | 108.3° | 109.5° |
| C19 | C17 | H24 | 109.1° | 109.5° |
| C17 | C19 | H28 | 108.7° | 109.5° |
| C17 | C19 | H29 | 108.7° | 109.5° |
| C18 | C17 | H24 | 109.2° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.4° | 109.4° |
| C17 | C18 | H27 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.5° | 110.5° |
| H5 | C4 | H6 | 109.4° | 110.8° |
| H7 | C5 | H8 | 109.4° | 110.6° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H21 | 109.4° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H28 | C19 | H29 | 109.4° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H33 | 109.4° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.5° |
| H34 | C22 | H35 | 109.5° | 109.4° |
| H37 | C24 | H38 | 109.5° | 109.5° |
| H37 | C24 | H39 | 109.5° | 109.5° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H41 | C26 | H42 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C26 | C25 | 4.3° | 51.2° |
| O28 | C27 | O29 | C6 | 0.7° | 0.0° |
| O28 | C27 | O29 | C26 | 179.5° | 180.0° |
| O28 | C27 | C26 | H41 | 124.2° | 68.8° |
| O28 | C27 | C26 | H42 | 115.5° | 171.1° |
| O34 | C25 | C23 | C26 | 116.8° | 120.0° |
| O34 | C25 | C23 | H40 | 121.9° | 120.0° |
| O34 | C25 | C26 | H40 | 119.1° | 120.0° |
| O34 | C25 | C26 | C27 | 43.7° | 75.4° |
| O34 | C25 | C23 | C24 | 144.4° | 22.4° |
| O34 | C25 | C23 | C22 | 98.9° | 97.6° |
| O34 | C25 | C23 | H36 | 24.9° | 142.4° |
| O34 | C25 | C26 | H41 | 76.2° | 44.6° |
| O34 | C25 | C26 | H42 | 163.5° | 164.6° |
| C3 | C4 | C5 | H5 | 119.6° | 118.3° |
| C3 | C4 | C5 | H6 | 119.6° | 118.3° |
| C4 | C3 | C2 | H3 | 119.8° | 118.7° |
| C4 | C3 | C2 | H4 | 119.8° | 118.8° |
| C3 | C4 | C5 | C1 | 0.8° | 37.9° |
| C4 | C3 | C2 | C1 | 17.5° | 23.6° |
| C4 | C3 | C2 | C30 | 134.6° | 95.7° |
| C4 | C3 | C2 | H2 | 103.1° | 142.9° |
| C4 | C3 | H3 | H4 | 120.5° | 122.7° |
| C3 | C4 | H5 | H6 | 121.2° | 123.2° |
| C3 | C4 | C5 | H7 | 120.5° | 80.7° |
| C3 | C4 | C5 | H8 | 118.9° | 156.6° |
| C4 | C5 | C1 | C6 | 135.8° | 142.9° |
| C5 | C4 | C3 | C2 | 10.4° | 37.9° |
| C4 | C5 | C1 | H7 | 119.7° | 118.6° |
| C4 | C5 | C1 | H8 | 119.6° | 118.7° |
| C4 | C5 | C1 | C2 | 11.8° | 23.6° |
| C4 | C5 | C1 | H1 | 106.8° | 95.7° |
| C5 | C4 | C3 | H3 | 130.2° | 156.6° |
| C5 | C4 | C3 | H4 | 109.5° | 80.8° |
| C5 | C4 | H5 | H6 | 121.2° | 123.4° |
| C4 | C5 | H7 | H8 | 121.0° | 122.7° |
| C23 | C25 | C26 | H40 | 121.2° | 120.0° |
| C23 | C25 | C26 | C27 | 163.3° | 164.7° |
| C25 | C23 | C24 | C22 | 122.2° | 120.0° |
| C25 | C23 | C24 | H36 | 119.4° | 120.0° |
| C25 | C23 | C22 | H36 | 123.7° | 120.0° |
| C25 | C23 | C22 | C20 | 101.9° | 109.7° |
| C25 | C23 | C22 | H34 | 137.4° | 10.3° |
| C25 | C23 | C22 | H35 | 18.8° | 130.3° |
| C25 | C23 | C24 | H37 | 180.0° | 180.0° |
| C25 | C23 | C24 | H38 | 60.0° | 60.1° |
| C25 | C23 | C24 | H39 | 60.0° | 60.0° |
| C23 | C25 | C26 | H41 | 43.5° | 75.3° |
| C23 | C25 | C26 | H42 | 76.9° | 44.7° |
| C23 | C25 | O34 | H45 | 166.6° | 173.0° |
| C25 | C26 | C27 | O29 | 175.1° | 128.8° |
| C25 | C26 | C27 | H41 | 119.8° | 120.0° |
| C25 | C26 | C27 | H42 | 119.9° | 120.0° |
| C26 | C25 | C23 | C24 | 98.9° | 97.5° |
| C26 | C25 | C23 | C22 | 17.9° | 142.5° |
| C26 | C25 | C23 | H36 | 141.7° | 22.5° |
| C25 | C26 | H41 | H42 | 120.5° | 120.0° |
| C26 | C25 | O34 | H45 | 45.9° | 67.0° |
| C7 | C6 | C1 | O29 | 113.9° | 120.0° |
| C7 | C6 | C1 | H9 | 118.2° | 119.9° |
| C7 | C6 | O29 | H9 | 131.5° | 120.0° |
| C7 | C6 | O29 | C27 | 117.6° | 152.4° |
| C7 | C6 | C1 | C5 | 50.9° | 73.8° |
| C6 | C7 | C8 | H10 | 120.9° | 120.0° |
| C6 | C7 | C8 | H11 | 120.9° | 120.0° |
| C7 | C6 | C1 | C2 | 170.7° | 43.4° |
| C6 | C7 | C8 | C9 | 117.3° | 113.5° |
| C7 | C6 | C1 | H1 | 66.3° | 164.8° |
| C6 | C7 | H10 | H11 | 117.2° | 120.0° |
| C6 | C7 | C8 | H12 | 62.6° | 66.4° |
| C1 | C6 | O29 | H9 | 126.8° | 120.0° |
| C1 | C6 | O29 | C27 | 140.6° | 32.4° |
| C6 | C1 | C2 | C3 | 136.6° | 119.3° |
| C6 | C1 | C5 | C2 | 124.0° | 119.3° |
| C6 | C1 | C5 | H1 | 117.4° | 121.4° |
| C1 | C6 | C7 | C8 | 136.2° | 52.2° |
| C6 | C1 | C2 | H1 | 123.0° | 121.4° |
| C6 | C1 | C2 | C30 | 107.1° | 121.4° |
| C6 | C1 | C2 | H2 | 16.0° | 0.0° |
| C6 | C1 | C5 | H7 | 104.5° | 24.3° |
| C6 | C1 | C5 | H8 | 16.1° | 98.4° |
| C1 | C6 | C7 | H10 | 15.3° | 67.8° |
| C1 | C6 | C7 | H11 | 102.9° | 172.2° |
| C6 | O29 | C27 | C26 | 178.7° | 180.0° |
| O29 | C6 | C1 | C5 | 164.8° | 46.2° |
| O29 | C6 | C7 | C8 | 27.4° | 67.8° |
| O29 | C6 | C1 | C2 | 75.5° | 163.4° |
| O29 | C6 | C1 | H1 | 47.6° | 75.1° |
| O29 | C6 | C7 | H10 | 93.5° | 172.2° |
| O29 | C6 | C7 | H11 | 148.3° | 52.2° |
| C27 | O29 | C6 | H9 | 13.9° | 87.6° |
| O29 | C27 | C26 | H41 | 55.3° | 111.2° |
| O29 | C27 | C26 | H42 | 65.0° | 8.9° |
| C27 | C26 | C25 | H40 | 75.5° | 44.6° |
| C27 | C26 | H41 | H42 | 120.5° | 120.0° |
| C3 | C2 | C1 | C5 | 18.0° | 0.0° |
| C3 | C2 | C1 | C30 | 116.4° | 119.3° |
| C3 | C2 | C1 | H2 | 120.5° | 119.4° |
| C3 | C2 | C30 | H2 | 122.0° | 121.5° |
| C3 | C2 | C30 | O32 | 114.6° | 114.2° |
| C3 | C2 | C30 | O31 | 64.7° | 65.9° |
| C3 | C2 | C1 | H1 | 100.4° | 119.3° |
| C2 | C3 | H3 | H4 | 120.6° | 122.6° |
| C2 | C3 | C4 | H5 | 130.0° | 80.4° |
| C2 | C3 | C4 | H6 | 109.2° | 156.3° |
| C5 | C1 | C2 | H1 | 118.5° | 119.2° |
| C5 | C1 | C2 | C30 | 134.4° | 119.3° |
| C5 | C1 | C2 | H2 | 102.5° | 119.4° |
| C1 | C5 | C4 | H5 | 118.8° | 80.3° |
| C1 | C5 | C4 | H6 | 120.4° | 156.2° |
| C1 | C5 | H7 | H8 | 121.0° | 122.6° |
| C5 | C1 | C6 | H9 | 67.3° | 166.2° |
| C7 | C8 | C9 | H12 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 178.9° | 180.0° |
| C8 | C7 | C6 | H9 | 105.3° | 172.1° |
| C8 | C7 | H10 | H11 | 117.2° | 120.0° |
| C7 | C8 | C9 | H14 | 1.1° | 0.0° |
| C1 | C2 | C30 | H2 | 123.0° | 121.4° |
| C1 | C2 | C30 | O32 | 130.5° | 3.0° |
| C1 | C2 | C30 | O31 | 50.3° | 176.9° |
| C1 | C2 | C3 | H3 | 137.3° | 142.3° |
| C1 | C2 | C3 | H4 | 102.3° | 95.2° |
| C2 | C1 | C5 | H7 | 131.5° | 95.0° |
| C2 | C1 | C5 | H8 | 107.8° | 142.3° |
| C2 | C1 | C6 | H9 | 52.4° | 76.6° |
| C2 | C30 | O32 | O31 | 179.2° | 179.9° |
| C30 | C2 | C1 | H1 | 15.9° | 0.0° |
| C30 | C2 | C3 | H3 | 105.6° | 23.0° |
| C30 | C2 | C3 | H4 | 14.8° | 145.6° |
| C2 | C30 | O31 | H43 | 179.2° | 179.9° |
| C24 | C23 | C22 | H36 | 118.4° | 120.0° |
| C24 | C23 | C22 | C20 | 140.2° | 130.3° |
| C24 | C23 | C22 | H34 | 19.6° | 109.6° |
| C24 | C23 | C22 | H35 | 99.1° | 10.3° |
| C23 | C24 | H37 | H38 | 120.0° | 120.0° |
| C23 | C24 | H37 | H39 | 120.0° | 120.0° |
| C23 | C24 | H38 | H39 | 120.0° | 120.1° |
| C24 | C23 | C25 | H40 | 22.5° | 142.4° |
| C23 | C22 | C20 | C21 | 52.2° | 96.3° |
| C23 | C22 | C20 | H34 | 120.7° | 120.0° |
| C23 | C22 | C20 | H35 | 120.7° | 120.0° |
| C23 | C22 | C20 | C19 | 172.3° | 143.7° |
| C23 | C22 | C20 | H30 | 69.2° | 23.7° |
| C23 | C22 | H34 | H35 | 117.9° | 119.9° |
| C22 | C23 | C24 | H37 | 57.8° | 60.0° |
| C22 | C23 | C24 | H38 | 177.8° | 180.0° |
| C22 | C23 | C24 | H39 | 62.2° | 60.0° |
| C22 | C23 | C25 | H40 | 139.2° | 22.5° |
| C8 | C9 | C10 | H14 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 178.3° | 179.9° |
| C9 | C8 | C7 | H10 | 3.6° | 126.5° |
| C9 | C8 | C7 | H11 | 121.8° | 6.5° |
| C8 | C9 | C10 | H16 | 1.7° | 0.2° |
| O32 | C30 | C2 | H2 | 7.5° | 124.4° |
| O32 | C30 | O31 | H43 | 0.0° | 0.0° |
| O31 | C30 | C2 | H2 | 173.3° | 55.6° |
| C21 | C20 | C22 | C19 | 120.1° | 120.0° |
| C21 | C20 | C22 | H30 | 121.4° | 120.0° |
| C21 | C20 | C19 | H30 | 120.8° | 120.0° |
| C21 | C20 | C19 | C17 | 88.6° | 86.2° |
| C21 | C20 | C19 | H28 | 31.9° | 153.8° |
| C21 | C20 | C19 | H29 | 151.0° | 33.8° |
| C20 | C21 | H31 | H32 | 120.0° | 120.0° |
| C20 | C21 | H31 | H33 | 120.0° | 120.0° |
| C20 | C21 | H32 | H33 | 120.0° | 120.0° |
| C21 | C20 | C22 | H34 | 68.5° | 143.7° |
| C21 | C20 | C22 | H35 | 172.9° | 23.7° |
| C9 | C10 | C11 | H16 | 180.0° | 179.9° |
| C9 | C10 | C11 | C13 | 178.9° | 179.9° |
| C9 | C10 | C11 | C12 | 1.9° | 0.0° |
| C10 | C9 | C8 | H12 | 1.1° | 0.0° |
| C22 | C20 | C19 | H30 | 118.5° | 120.0° |
| C22 | C20 | C19 | C17 | 150.8° | 153.8° |
| C22 | C20 | C19 | H28 | 88.8° | 33.8° |
| C22 | C20 | C19 | H29 | 30.3° | 86.2° |
| C22 | C20 | C21 | H31 | 180.0° | 180.0° |
| C22 | C20 | C21 | H32 | 60.0° | 60.0° |
| C22 | C20 | C21 | H33 | 60.0° | 60.0° |
| C20 | C22 | H34 | H35 | 117.9° | 120.0° |
| C20 | C22 | C23 | H36 | 21.8° | 10.3° |
| C10 | C11 | C13 | O33 | 122.3° | 12.0° |
| C10 | C11 | C13 | C12 | 179.3° | 179.9° |
| C10 | C11 | C13 | C14 | 117.2° | 108.1° |
| C10 | C11 | C12 | N35 | 170.3° | 130.0° |
| C11 | C10 | C9 | H14 | 1.7° | 0.1° |
| C10 | C11 | C13 | H17 | 0.7° | 131.9° |
| C20 | C19 | C17 | C16 | 60.7° | 117.2° |
| C20 | C19 | C17 | H28 | 120.5° | 120.0° |
| C20 | C19 | C17 | H29 | 120.5° | 120.0° |
| C20 | C19 | C17 | C18 | 178.7° | 122.8° |
| C20 | C19 | C17 | H24 | 59.9° | 2.8° |
| C20 | C19 | H28 | H29 | 118.6° | 120.0° |
| C19 | C20 | C21 | H31 | 62.1° | 60.0° |
| C19 | C20 | C21 | H32 | 177.8° | 180.0° |
| C19 | C20 | C21 | H33 | 57.8° | 60.0° |
| C19 | C20 | C22 | H34 | 51.6° | 23.7° |
| C19 | C20 | C22 | H35 | 67.0° | 96.3° |
| O33 | C13 | C11 | C14 | 120.5° | 120.0° |
| O33 | C13 | C11 | H17 | 121.6° | 120.0° |
| O33 | C13 | C14 | H17 | 121.4° | 120.0° |
| O33 | C13 | C14 | C15 | 62.5° | 165.3° |
| O33 | C13 | C11 | C12 | 58.4° | 167.9° |
| O33 | C13 | C14 | C16 | 173.9° | 74.8° |
| O33 | C13 | C14 | H18 | 55.8° | 45.2° |
| C11 | C13 | C14 | H17 | 118.0° | 120.0° |
| C11 | C13 | C14 | C15 | 177.0° | 74.7° |
| C11 | C13 | C14 | C16 | 53.3° | 45.2° |
| C13 | C11 | C12 | N35 | 8.9° | 50.1° |
| C13 | C11 | C10 | H16 | 1.1° | 0.2° |
| C11 | C13 | C14 | H18 | 64.8° | 165.2° |
| C11 | C13 | O33 | H44 | 180.0° | 60.0° |
| C13 | C14 | C15 | C16 | 123.8° | 119.9° |
| C13 | C14 | C15 | H18 | 118.3° | 120.0° |
| C14 | C13 | C11 | C12 | 62.1° | 72.1° |
| C13 | C14 | C16 | H18 | 118.2° | 120.0° |
| C13 | C14 | C16 | C17 | 165.3° | 159.5° |
| C13 | C14 | C15 | H19 | 180.0° | 32.1° |
| C13 | C14 | C15 | H20 | 60.0° | 152.1° |
| C13 | C14 | C15 | H21 | 60.0° | 87.9° |
| C13 | C14 | C16 | H22 | 45.4° | 39.5° |
| C13 | C14 | C16 | H23 | 74.7° | 80.5° |
| C14 | C13 | O33 | H44 | 61.6° | 180.0° |
| C15 | C14 | C16 | H18 | 118.0° | 120.1° |
| C15 | C14 | C16 | C17 | 41.5° | 39.5° |
| C15 | C14 | C13 | H17 | 58.9° | 45.3° |
| C14 | C15 | H19 | H20 | 120.0° | 120.0° |
| C14 | C15 | H19 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C15 | C14 | C16 | H22 | 78.4° | 80.5° |
| C15 | C14 | C16 | H23 | 161.5° | 159.5° |
| C12 | C11 | C10 | H16 | 178.2° | 179.9° |
| C12 | C11 | C13 | H17 | 180.0° | 48.0° |
| C14 | C16 | C17 | H22 | 119.9° | 120.0° |
| C14 | C16 | C17 | H23 | 119.9° | 120.0° |
| C14 | C16 | C17 | C19 | 167.0° | 154.6° |
| C14 | C16 | C17 | C18 | 73.1° | 34.6° |
| C16 | C14 | C13 | H17 | 64.7° | 165.2° |
| C16 | C14 | C15 | H19 | 56.1° | 87.9° |
| C16 | C14 | C15 | H20 | 176.2° | 32.2° |
| C16 | C14 | C15 | H21 | 63.9° | 152.1° |
| C14 | C16 | H22 | H23 | 120.2° | 120.0° |
| C14 | C16 | C17 | H24 | 46.4° | 85.4° |
| C16 | C17 | C19 | C18 | 120.6° | 120.0° |
| C16 | C17 | C19 | H24 | 120.6° | 120.0° |
| C16 | C17 | C18 | H24 | 119.4° | 119.9° |
| C17 | C16 | C14 | H18 | 76.4° | 80.6° |
| C17 | C16 | H22 | H23 | 120.2° | 120.0° |
| C16 | C17 | C18 | H25 | 180.0° | 34.9° |
| C16 | C17 | C18 | H26 | 60.0° | 154.9° |
| C16 | C17 | C18 | H27 | 60.0° | 85.2° |
| C16 | C17 | C19 | H28 | 178.8° | 2.8° |
| C16 | C17 | C19 | H29 | 59.8° | 122.9° |
| C19 | C17 | C18 | H24 | 118.8° | 120.1° |
| C19 | C17 | C16 | H22 | 47.1° | 85.4° |
| C19 | C17 | C16 | H23 | 73.1° | 34.6° |
| C19 | C17 | C18 | H25 | 58.2° | 154.9° |
| C19 | C17 | C18 | H26 | 61.8° | 85.1° |
| C19 | C17 | C18 | H27 | 178.2° | 34.8° |
| C17 | C19 | H28 | H29 | 118.6° | 120.1° |
| C17 | C19 | C20 | H30 | 32.3° | 33.8° |
| C18 | C17 | C16 | H22 | 167.0° | 154.6° |
| C18 | C17 | C16 | H23 | 46.8° | 85.4° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H27 | 120.0° | 120.1° |
| C17 | C18 | H26 | H27 | 119.9° | 120.0° |
| C18 | C17 | C19 | H28 | 58.2° | 117.2° |
| C18 | C17 | C19 | H29 | 60.9° | 2.9° |
| H1 | C1 | C2 | H2 | 139.0° | 121.4° |
| H1 | C1 | C5 | H7 | 12.8° | 145.7° |
| H1 | C1 | C5 | H8 | 133.5° | 23.0° |
| H1 | C1 | C6 | H9 | 175.5° | 44.9° |
| H2 | C2 | C3 | H3 | 16.7° | 98.4° |
| H2 | C2 | C3 | H4 | 137.1° | 24.1° |
| H3 | C3 | C4 | H5 | 110.2° | 38.2° |
| H3 | C3 | C4 | H6 | 10.6° | 85.1° |
| H4 | C3 | C4 | H5 | 10.1° | 160.9° |
| H4 | C3 | C4 | H6 | 130.9° | 37.6° |
| H5 | C4 | C5 | H7 | 0.9° | 161.0° |
| H5 | C4 | C5 | H8 | 121.5° | 38.3° |
| H6 | C4 | C5 | H7 | 119.9° | 37.6° |
| H6 | C4 | C5 | H8 | 0.7° | 85.1° |
| H9 | C6 | C7 | H10 | 133.8° | 52.1° |
| H9 | C6 | C7 | H11 | 15.7° | 67.8° |
| H10 | C7 | C8 | H12 | 176.4° | 53.6° |
| H11 | C7 | C8 | H12 | 58.2° | 173.6° |
| H12 | C8 | C9 | H14 | 178.9° | 180.0° |
| H14 | C9 | C10 | H16 | 178.3° | 179.8° |
| H17 | C13 | C14 | H18 | 177.2° | 74.8° |
| H17 | C13 | O33 | H44 | 59.1° | 60.0° |
| H18 | C14 | C15 | H19 | 61.7° | 152.1° |
| H18 | C14 | C15 | H20 | 58.3° | 87.9° |
| H18 | C14 | C15 | H21 | 178.3° | 32.1° |
| H18 | C14 | C16 | H22 | 163.7° | 159.4° |
| H18 | C14 | C16 | H23 | 43.5° | 39.4° |
| H19 | C15 | H20 | H21 | 120.0° | 120.0° |
| H22 | C16 | C17 | H24 | 73.6° | 34.6° |
| H23 | C16 | C17 | H24 | 166.3° | 154.6° |
| H24 | C17 | C18 | H25 | 60.6° | 85.0° |
| H24 | C17 | C18 | H26 | 179.4° | 34.9° |
| H24 | C17 | C18 | H27 | 59.4° | 154.9° |
| H24 | C17 | C19 | H28 | 60.6° | 122.8° |
| H24 | C17 | C19 | H29 | 179.7° | 117.2° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
| H28 | C19 | C20 | H30 | 152.7° | 86.2° |
| H29 | C19 | C20 | H30 | 88.2° | 153.8° |
| H30 | C20 | C21 | H31 | 58.6° | 60.0° |
| H30 | C20 | C21 | H32 | 61.4° | 60.0° |
| H30 | C20 | C21 | H33 | 178.6° | 180.0° |
| H30 | C20 | C22 | H34 | 170.1° | 96.3° |
| H30 | C20 | C22 | H35 | 51.5° | 143.7° |
| H31 | C21 | H32 | H33 | 120.0° | 120.1° |
| H34 | C22 | C23 | H36 | 98.8° | 130.3° |
| H35 | C22 | C23 | H36 | 142.5° | 109.7° |
| H36 | C23 | C24 | H37 | 60.6° | 60.0° |
| H36 | C23 | C24 | H38 | 59.4° | 59.9° |
| H36 | C23 | C24 | H39 | 179.4° | 180.0° |
| H36 | C23 | C25 | H40 | 97.0° | 97.6° |
| H37 | C24 | H38 | H39 | 120.0° | 120.0° |
| H40 | C25 | C26 | H41 | 164.7° | 164.6° |
| H40 | C25 | C26 | H42 | 44.4° | 75.3° |
| H40 | C25 | O34 | H45 | 72.3° | 53.0° |
