R3Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C15 | sing | 1.54Å | 1.55Å | |
| O1 | C1 | sing | 1.44Å | 1.41Å | |
| C31 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C1 | sing | 1.52Å | 1.56Å | |
| C15 | C11 | sing | 1.49Å | 1.56Å | |
| C1 | C14 | sing | 1.52Å | 1.55Å | |
| C1 | C2 | sing | 1.54Å | 1.59Å | |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.52Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | O13 | sing | 1.44Å | 1.44Å | |
| C11 | C12 | doub | 1.33Å | 1.35Å | |
| C11 | C10 | sing | 1.50Å | 1.52Å | |
| O10 | C32 | sing | 1.34Å | 1.34Å | |
| O10 | C10 | sing | 1.44Å | 1.42Å | |
| O22 | C22 | doub | 1.21Å | 1.20Å | |
| C12 | C29 | sing | 1.52Å | 1.52Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | O11 | doub | 1.21Å | 1.19Å | |
| C23 | C22 | sing | 1.48Å | 1.49Å | |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | O2 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | sing | 1.47Å | 1.43Å | |
| C2 | C3 | sing | 1.52Å | 1.59Å | |
| C10 | C9 | sing | 1.52Å | 1.55Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | O9 | doub | 1.22Å | 1.19Å | |
| C9 | C8 | sing | 1.52Å | 1.57Å | |
| C3 | C8 | sing | 1.50Å | 1.60Å | |
| C3 | C4 | sing | 1.52Å | 1.57Å | |
| C81 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.57Å | |
| O4 | C4 | sing | 1.46Å | 1.44Å | |
| O4 | C42 | sing | 1.34Å | 1.33Å | |
| C4 | C41 | sing | 1.54Å | 1.54Å | |
| C4 | C5 | sing | 1.52Å | 1.56Å | |
| C43 | C42 | sing | 1.51Å | 1.50Å | |
| C41 | O5 | sing | 1.44Å | 1.41Å | |
| C42 | O41 | doub | 1.21Å | 1.19Å | |
| C7 | O7 | sing | 1.42Å | 1.40Å | |
| C7 | C6 | sing | 1.52Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.10Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C25 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.10Å | 1.10Å | |
| C3 | H14 | sing | 1.11Å | 1.10Å | |
| C10 | H15 | sing | 1.12Å | 1.10Å | |
| C41 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.10Å | 1.10Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C43 | H19 | sing | 1.09Å | 1.10Å | |
| C43 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.10Å | 1.10Å | |
| C81 | H24 | sing | 1.09Å | 1.10Å | |
| C81 | H25 | sing | 1.09Å | 1.10Å | |
| C81 | H26 | sing | 1.09Å | 1.10Å | |
| O13 | H27 | sing | 0.97Å | 0.95Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C15 | C31 | 98.0° | 105.7° |
| C30 | C15 | C1 | 113.0° | 109.5° |
| C30 | C15 | C11 | 111.0° | 110.0° |
| C15 | C30 | H35 | 109.5° | 109.5° |
| C15 | C30 | H36 | 109.5° | 109.5° |
| C15 | C30 | H37 | 109.5° | 109.4° |
| O1 | C1 | C15 | 108.4° | 106.6° |
| O1 | C1 | C14 | 104.0° | 106.8° |
| O1 | C1 | C2 | 105.6° | 106.6° |
| C1 | O1 | H11 | 109.5° | 114.0° |
| C31 | C15 | C1 | 109.2° | 109.3° |
| C31 | C15 | C11 | 119.6° | 115.4° |
| C15 | C31 | H38 | 109.5° | 109.5° |
| C15 | C31 | H39 | 109.4° | 109.5° |
| C15 | C31 | H40 | 109.5° | 109.5° |
| C1 | C15 | C11 | 106.2° | 107.0° |
| C15 | C1 | C14 | 111.8° | 111.4° |
| C15 | C1 | C2 | 115.5° | 113.6° |
| C15 | C11 | C12 | 121.5° | 116.2° |
| C15 | C11 | C10 | 120.0° | 125.5° |
| C14 | C1 | C2 | 110.6° | 111.5° |
| C1 | C14 | C13 | 118.6° | 114.4° |
| C1 | C14 | H4 | 107.2° | 107.8° |
| C1 | C14 | H5 | 107.1° | 109.8° |
| C1 | C2 | O2 | 102.6° | 105.9° |
| C1 | C2 | C3 | 121.4° | 112.7° |
| C1 | C2 | H12 | 106.9° | 109.4° |
| C33 | C32 | O10 | 111.3° | 120.0° |
| C33 | C32 | O11 | 125.1° | 120.0° |
| C32 | C33 | H29 | 109.5° | 109.5° |
| C32 | C33 | H30 | 109.5° | 109.5° |
| C32 | C33 | H31 | 109.5° | 109.5° |
| C28 | C27 | C26 | 119.7° | 120.2° |
| C27 | C28 | C23 | 120.0° | 119.8° |
| C28 | C27 | H9 | 120.2° | 119.9° |
| C27 | C28 | H10 | 120.0° | 120.1° |
| C27 | C26 | C25 | 120.5° | 120.3° |
| C27 | C26 | H8 | 119.8° | 119.8° |
| C26 | C27 | H9 | 120.1° | 119.9° |
| C28 | C23 | C22 | 118.1° | 120.1° |
| C28 | C23 | C24 | 120.1° | 119.7° |
| C23 | C28 | H10 | 120.0° | 120.1° |
| C14 | C13 | C12 | 113.4° | 111.8° |
| C14 | C13 | O13 | 105.9° | 108.3° |
| C14 | C13 | H3 | 108.1° | 110.9° |
| C13 | C14 | H4 | 107.1° | 108.1° |
| C13 | C14 | H5 | 107.1° | 109.8° |
| C12 | C13 | O13 | 111.8° | 108.1° |
| C13 | C12 | C11 | 120.9° | 118.9° |
| C13 | C12 | C29 | 113.4° | 119.3° |
| C12 | C13 | H3 | 108.2° | 110.7° |
| O13 | C13 | H3 | 109.4° | 106.8° |
| C13 | O13 | H27 | 109.5° | 114.0° |
| C12 | C11 | C10 | 116.4° | 118.2° |
| C11 | C12 | C29 | 124.3° | 121.8° |
| C11 | C10 | O10 | 109.8° | 116.2° |
| C11 | C10 | C9 | 117.7° | 106.1° |
| C11 | C10 | H15 | 106.6° | 108.4° |
| C32 | O10 | C10 | 119.9° | 117.0° |
| O10 | C32 | O11 | 123.6° | 120.0° |
| O10 | C10 | C9 | 108.4° | 112.7° |
| O10 | C10 | H15 | 107.7° | 105.3° |
| O22 | C22 | C23 | 123.9° | 120.0° |
| O22 | C22 | O2 | 124.2° | 120.0° |
| C12 | C29 | H32 | 109.5° | 109.5° |
| C12 | C29 | H33 | 109.5° | 109.5° |
| C12 | C29 | H34 | 109.4° | 109.5° |
| C26 | C25 | C24 | 119.9° | 120.2° |
| C26 | C25 | H7 | 120.1° | 119.9° |
| C25 | C26 | H8 | 119.7° | 119.9° |
| C22 | C23 | C24 | 121.8° | 120.2° |
| C23 | C22 | O2 | 111.9° | 120.0° |
| C23 | C24 | C25 | 119.8° | 119.9° |
| C23 | C24 | H6 | 120.1° | 120.1° |
| C22 | O2 | C2 | 121.5° | 117.0° |
| O2 | C2 | C3 | 109.6° | 109.3° |
| O2 | C2 | H12 | 108.8° | 104.3° |
| C2 | C3 | C8 | 114.9° | 119.0° |
| C2 | C3 | C4 | 114.1° | 113.4° |
| C3 | C2 | H12 | 106.9° | 114.6° |
| C2 | C3 | H14 | 104.3° | 103.1° |
| C10 | C9 | O9 | 115.9° | 120.5° |
| C10 | C9 | C8 | 127.6° | 120.0° |
| C9 | C10 | H15 | 106.1° | 107.8° |
| C25 | C24 | H6 | 120.1° | 120.1° |
| C24 | C25 | H7 | 120.0° | 119.9° |
| O9 | C9 | C8 | 116.5° | 119.5° |
| C9 | C8 | C3 | 121.4° | 112.2° |
| C9 | C8 | C81 | 103.9° | 107.2° |
| C9 | C8 | C7 | 101.2° | 108.1° |
| C8 | C3 | C4 | 113.4° | 116.1° |
| C3 | C8 | C81 | 111.6° | 111.5° |
| C3 | C8 | C7 | 106.9° | 114.9° |
| C8 | C3 | H14 | 104.2° | 101.9° |
| C3 | C4 | O4 | 109.2° | 110.6° |
| C3 | C4 | C41 | 121.7° | 112.7° |
| C3 | C4 | C5 | 120.7° | 121.0° |
| C4 | C3 | H14 | 104.4° | 99.1° |
| C81 | C8 | C7 | 111.2° | 102.2° |
| C8 | C81 | H24 | 109.5° | 109.4° |
| C8 | C81 | H25 | 109.5° | 109.5° |
| C8 | C81 | H26 | 109.4° | 109.5° |
| C8 | C7 | O7 | 113.9° | 109.6° |
| C8 | C7 | C6 | 112.9° | 110.2° |
| C8 | C7 | H23 | 105.6° | 107.6° |
| C4 | O4 | C42 | 124.0° | 117.0° |
| O4 | C4 | C41 | 107.9° | 112.2° |
| O4 | C4 | C5 | 112.2° | 111.1° |
| O4 | C42 | C43 | 110.9° | 120.0° |
| O4 | C42 | O41 | 125.2° | 120.0° |
| C41 | C4 | C5 | 82.6° | 87.3° |
| C4 | C41 | O5 | 92.9° | 88.3° |
| C4 | C41 | H16 | 113.4° | 114.3° |
| C4 | C41 | H17 | 113.4° | 113.5° |
| C4 | C5 | O5 | 91.8° | 89.4° |
| C4 | C5 | C6 | 119.2° | 116.0° |
| C4 | C5 | H13 | 109.5° | 112.3° |
| C43 | C42 | O41 | 123.9° | 120.0° |
| C42 | C43 | H18 | 109.5° | 109.4° |
| C42 | C43 | H19 | 109.5° | 109.5° |
| C42 | C43 | H20 | 109.4° | 109.5° |
| C41 | O5 | C5 | 92.6° | 95.0° |
| O5 | C41 | H16 | 113.5° | 114.0° |
| O5 | C41 | H17 | 113.5° | 113.3° |
| O7 | C7 | C6 | 110.3° | 111.3° |
| O7 | C7 | H23 | 107.5° | 109.0° |
| C7 | O7 | H28 | 109.5° | 114.0° |
| C7 | C6 | C5 | 111.1° | 108.7° |
| C7 | C6 | H21 | 109.1° | 110.0° |
| C7 | C6 | H22 | 109.1° | 110.4° |
| C6 | C7 | H23 | 106.1° | 109.2° |
| O5 | C5 | C6 | 113.9° | 114.8° |
| O5 | C5 | H13 | 111.4° | 111.7° |
| C6 | C5 | H13 | 110.0° | 111.0° |
| C5 | C6 | H21 | 109.1° | 109.5° |
| C5 | C6 | H22 | 109.0° | 109.4° |
| H4 | C14 | H5 | 109.5° | 106.7° |
| H16 | C41 | H17 | 109.5° | 111.7° |
| H18 | C43 | H19 | 109.5° | 109.5° |
| H18 | C43 | H20 | 109.5° | 109.4° |
| H19 | C43 | H20 | 109.4° | 109.5° |
| H21 | C6 | H22 | 109.4° | 108.9° |
| H24 | C81 | H25 | 109.5° | 109.4° |
| H24 | C81 | H26 | 109.5° | 109.5° |
| H25 | C81 | H26 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H31 | 109.5° | 109.4° |
| H30 | C33 | H31 | 109.4° | 109.5° |
| H32 | C29 | H33 | 109.4° | 109.5° |
| H32 | C29 | H34 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.4° |
| H35 | C30 | H37 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H40 | 109.5° | 109.4° |
| H39 | C31 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C15 | C1 | O1 | 46.9° | 55.7° |
| C30 | C15 | C31 | C1 | 117.8° | 117.7° |
| C30 | C15 | C31 | C11 | 119.7° | 121.7° |
| C30 | C15 | C1 | C11 | 121.9° | 119.1° |
| C30 | C15 | C1 | C14 | 67.2° | 60.4° |
| C30 | C15 | C1 | C2 | 165.1° | 172.7° |
| C30 | C15 | C11 | C12 | 77.8° | 63.0° |
| C30 | C15 | C11 | C10 | 119.3° | 117.7° |
| C15 | C30 | H35 | H36 | 120.0° | 120.1° |
| C15 | C30 | H35 | H37 | 120.0° | 120.0° |
| C15 | C30 | H36 | H37 | 120.0° | 120.0° |
| C30 | C15 | C31 | H38 | 180.0° | 161.0° |
| C30 | C15 | C31 | H39 | 60.0° | 79.0° |
| C30 | C15 | C31 | H40 | 60.0° | 41.0° |
| O1 | C1 | C15 | C31 | 61.0° | 59.6° |
| O1 | C1 | C15 | C14 | 114.1° | 116.1° |
| O1 | C1 | C15 | C2 | 118.2° | 117.0° |
| O1 | C1 | C15 | C11 | 168.9° | 174.8° |
| O1 | C1 | C14 | C2 | 113.0° | 116.0° |
| O1 | C1 | C14 | C13 | 145.2° | 131.0° |
| O1 | C1 | C2 | O2 | 53.8° | 57.6° |
| O1 | C1 | C2 | C3 | 176.5° | 177.0° |
| O1 | C1 | C14 | H4 | 93.5° | 10.8° |
| O1 | C1 | C14 | H5 | 23.9° | 105.1° |
| O1 | C1 | C2 | H12 | 60.6° | 54.2° |
| C31 | C15 | C1 | C11 | 130.2° | 125.6° |
| C31 | C15 | C1 | C14 | 175.1° | 175.7° |
| C31 | C15 | C1 | C2 | 57.3° | 57.4° |
| C31 | C15 | C11 | C12 | 169.3° | 177.7° |
| C31 | C15 | C11 | C10 | 6.5° | 1.7° |
| C31 | C15 | C30 | H35 | 180.0° | 49.5° |
| C31 | C15 | C30 | H36 | 60.0° | 70.5° |
| C31 | C15 | C30 | H37 | 60.0° | 169.5° |
| C15 | C31 | H38 | H39 | 120.0° | 120.0° |
| C15 | C31 | H38 | H40 | 120.0° | 120.0° |
| C15 | C31 | H39 | H40 | 120.0° | 120.0° |
| C15 | C1 | C14 | C2 | 130.3° | 128.0° |
| C15 | C1 | C14 | C13 | 28.4° | 15.0° |
| C1 | C15 | C11 | C12 | 45.4° | 55.8° |
| C1 | C15 | C11 | C10 | 117.5° | 123.5° |
| C15 | C1 | C2 | O2 | 173.6° | 174.6° |
| C15 | C1 | C2 | C3 | 63.8° | 66.0° |
| C15 | C1 | C14 | H4 | 149.7° | 105.2° |
| C15 | C1 | C14 | H5 | 92.9° | 139.0° |
| C15 | C1 | O1 | H11 | 180.0° | 179.1° |
| C15 | C1 | C2 | H12 | 59.1° | 62.8° |
| C1 | C15 | C30 | H35 | 65.2° | 68.1° |
| C1 | C15 | C30 | H36 | 54.9° | 171.9° |
| C1 | C15 | C30 | H37 | 174.9° | 51.8° |
| C1 | C15 | C31 | H38 | 62.2° | 43.2° |
| C1 | C15 | C31 | H39 | 177.8° | 163.3° |
| C1 | C15 | C31 | H40 | 57.8° | 76.8° |
| C11 | C15 | C1 | C14 | 54.8° | 58.7° |
| C11 | C15 | C1 | C2 | 72.9° | 68.2° |
| C15 | C11 | C12 | C13 | 3.6° | 5.8° |
| C15 | C11 | C12 | C10 | 163.5° | 179.4° |
| C15 | C11 | C10 | O10 | 70.1° | 19.0° |
| C15 | C11 | C12 | C29 | 169.4° | 176.6° |
| C15 | C11 | C10 | C9 | 54.5° | 107.3° |
| C15 | C11 | C10 | H15 | 173.4° | 137.2° |
| C11 | C15 | C30 | H35 | 54.0° | 174.6° |
| C11 | C15 | C30 | H36 | 174.0° | 54.6° |
| C11 | C15 | C30 | H37 | 66.0° | 65.4° |
| C11 | C15 | C31 | H38 | 60.3° | 77.3° |
| C11 | C15 | C31 | H39 | 59.7° | 42.7° |
| C11 | C15 | C31 | H40 | 179.7° | 162.7° |
| C1 | C14 | C13 | H4 | 121.3° | 120.0° |
| C1 | C14 | C13 | H5 | 121.3° | 124.0° |
| C1 | C14 | C13 | C12 | 13.2° | 32.9° |
| C1 | C14 | C13 | O13 | 136.1° | 151.9° |
| C14 | C1 | C2 | O2 | 58.2° | 58.6° |
| C14 | C1 | C2 | C3 | 64.5° | 60.8° |
| C1 | C14 | C13 | H3 | 106.8° | 91.2° |
| C1 | C14 | H4 | H5 | 115.9° | 117.9° |
| C14 | C1 | O1 | H11 | 60.9° | 60.0° |
| C14 | C1 | C2 | H12 | 172.6° | 170.4° |
| C2 | C1 | C14 | C13 | 101.9° | 113.0° |
| C1 | C2 | O2 | C22 | 105.2° | 90.0° |
| C1 | C2 | O2 | C3 | 130.3° | 121.6° |
| C1 | C2 | O2 | H12 | 113.1° | 115.4° |
| C1 | C2 | C3 | H12 | 122.9° | 126.0° |
| C1 | C2 | C3 | C8 | 94.0° | 102.8° |
| C1 | C2 | C3 | C4 | 132.7° | 115.1° |
| C2 | C1 | C14 | H4 | 19.4° | 126.8° |
| C2 | C1 | C14 | H5 | 136.9° | 11.0° |
| C2 | C1 | O1 | H11 | 55.6° | 59.3° |
| C1 | C2 | C3 | H14 | 19.4° | 8.9° |
| C33 | C32 | O10 | O11 | 179.6° | 179.9° |
| C33 | C32 | O10 | C10 | 112.5° | 180.0° |
| C32 | C33 | H29 | H30 | 120.0° | 120.0° |
| C32 | C33 | H29 | H31 | 120.0° | 120.0° |
| C32 | C33 | H30 | H31 | 120.0° | 120.0° |
| C28 | C27 | C26 | H9 | 180.0° | 179.7° |
| C27 | C28 | C23 | H10 | 180.0° | 179.7° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C27 | C28 | C23 | C22 | 179.8° | 180.0° |
| C27 | C28 | C23 | C24 | 0.4° | 0.6° |
| C28 | C27 | C26 | H8 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.2° | 0.3° |
| C27 | C26 | C25 | H8 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | H7 | 179.9° | 179.9° |
| C26 | C27 | C28 | H10 | 179.9° | 180.0° |
| C28 | C23 | C22 | O22 | 39.3° | 0.1° |
| C28 | C23 | C22 | C24 | 179.4° | 179.4° |
| C28 | C23 | C22 | O2 | 141.1° | 180.0° |
| C28 | C23 | C24 | C25 | 0.3° | 0.6° |
| C28 | C23 | C24 | H6 | 179.7° | 179.7° |
| C23 | C28 | C27 | H9 | 179.8° | 180.0° |
| C14 | C13 | C12 | O13 | 119.6° | 119.2° |
| C14 | C13 | C12 | H3 | 119.9° | 124.2° |
| C14 | C13 | O13 | H3 | 116.2° | 119.5° |
| C14 | C13 | C12 | C11 | 27.3° | 40.0° |
| C14 | C13 | C12 | C29 | 140.0° | 137.6° |
| C13 | C14 | H4 | H5 | 115.9° | 118.0° |
| C14 | C13 | O13 | H27 | 180.0° | 178.6° |
| C12 | C13 | O13 | H3 | 119.8° | 119.1° |
| C13 | C12 | C11 | C29 | 165.8° | 177.6° |
| C13 | C12 | C11 | C10 | 159.9° | 173.6° |
| C12 | C13 | C14 | H4 | 108.1° | 152.9° |
| C12 | C13 | C14 | H5 | 134.5° | 91.1° |
| C12 | C13 | O13 | H27 | 56.0° | 60.0° |
| C13 | C12 | C29 | H32 | 180.0° | 87.5° |
| C13 | C12 | C29 | H33 | 60.0° | 32.5° |
| C13 | C12 | C29 | H34 | 60.0° | 152.5° |
| O13 | C13 | C12 | C11 | 146.9° | 159.2° |
| O13 | C13 | C12 | C29 | 20.3° | 18.4° |
| O13 | C13 | C14 | H4 | 14.8° | 88.1° |
| O13 | C13 | C14 | H5 | 102.6° | 28.0° |
| C12 | C11 | C10 | O10 | 126.1° | 161.7° |
| C12 | C11 | C10 | C9 | 109.2° | 72.0° |
| C11 | C12 | C13 | H3 | 92.6° | 84.2° |
| C12 | C11 | C10 | H15 | 9.7° | 43.5° |
| C11 | C12 | C29 | H32 | 13.2° | 90.0° |
| C11 | C12 | C29 | H33 | 106.7° | 150.0° |
| C11 | C12 | C29 | H34 | 133.2° | 30.0° |
| C11 | C10 | O10 | C32 | 128.1° | 150.0° |
| C11 | C10 | O10 | C9 | 129.9° | 122.8° |
| C11 | C10 | O10 | H15 | 115.7° | 120.0° |
| C10 | C11 | C12 | C29 | 5.9° | 4.0° |
| C11 | C10 | C9 | H15 | 119.2° | 116.0° |
| C11 | C10 | C9 | O9 | 140.4° | 126.4° |
| C11 | C10 | C9 | C8 | 39.8° | 54.4° |
| C32 | O10 | C10 | C9 | 102.0° | 87.2° |
| C32 | O10 | C10 | H15 | 12.4° | 30.0° |
| O10 | C32 | C33 | H29 | 179.6° | 89.9° |
| O10 | C32 | C33 | H30 | 60.4° | 150.0° |
| O10 | C32 | C33 | H31 | 59.6° | 30.0° |
| C10 | O10 | C32 | O11 | 67.9° | 0.0° |
| O10 | C10 | C9 | H15 | 115.5° | 115.7° |
| O10 | C10 | C9 | O9 | 15.0° | 105.3° |
| O10 | C10 | C9 | C8 | 165.2° | 73.8° |
| O22 | C22 | C23 | O2 | 179.6° | 179.9° |
| O22 | C22 | C23 | C24 | 141.3° | 179.5° |
| O22 | C22 | O2 | C2 | 6.2° | 0.0° |
| C29 | C12 | C13 | H3 | 100.2° | 98.2° |
| C12 | C29 | H32 | H33 | 120.0° | 120.0° |
| C12 | C29 | H32 | H34 | 120.0° | 120.0° |
| C12 | C29 | H33 | H34 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.3° |
| C26 | C25 | C24 | H7 | 180.0° | 180.0° |
| C26 | C25 | C24 | H6 | 179.9° | 180.0° |
| C25 | C26 | C27 | H9 | 179.9° | 179.7° |
| O11 | C32 | C33 | H29 | 0.0° | 90.0° |
| O11 | C32 | C33 | H30 | 120.0° | 30.1° |
| O11 | C32 | C33 | H31 | 120.0° | 150.0° |
| C23 | C22 | O2 | C2 | 174.2° | 180.0° |
| C22 | C23 | C24 | C25 | 179.7° | 180.0° |
| C22 | C23 | C24 | H6 | 0.3° | 0.3° |
| C22 | C23 | C28 | H10 | 0.2° | 0.3° |
| C24 | C23 | C22 | O2 | 38.3° | 0.6° |
| C23 | C24 | C25 | H6 | 180.0° | 179.7° |
| C23 | C24 | C25 | H7 | 179.9° | 179.7° |
| C24 | C23 | C28 | H10 | 179.7° | 179.7° |
| C22 | O2 | C2 | C3 | 124.5° | 148.4° |
| C22 | O2 | C2 | H12 | 7.8° | 25.4° |
| O2 | C2 | C3 | H12 | 117.8° | 116.6° |
| O2 | C2 | C3 | C8 | 146.7° | 139.8° |
| O2 | C2 | C3 | C4 | 13.4° | 2.3° |
| O2 | C2 | C3 | H14 | 99.9° | 108.4° |
| C2 | C3 | C8 | C9 | 67.7° | 109.4° |
| C2 | C3 | C8 | C4 | 133.7° | 141.1° |
| C2 | C3 | C8 | H14 | 113.4° | 112.5° |
| C2 | C3 | C4 | H14 | 113.2° | 108.7° |
| C2 | C3 | C8 | C81 | 55.4° | 10.9° |
| C2 | C3 | C8 | C7 | 177.2° | 126.6° |
| C2 | C3 | C4 | O4 | 77.9° | 72.8° |
| C2 | C3 | C4 | C41 | 48.8° | 53.7° |
| C2 | C3 | C4 | C5 | 149.8° | 154.9° |
| C10 | C9 | O9 | C8 | 179.8° | 179.2° |
| C10 | C9 | C8 | C3 | 21.1° | 68.5° |
| C10 | C9 | C8 | C81 | 147.8° | 54.3° |
| C10 | C9 | C8 | C7 | 96.8° | 163.7° |
| C24 | C25 | C26 | H8 | 179.9° | 180.0° |
| O9 | C9 | C8 | C3 | 159.1° | 112.3° |
| O9 | C9 | C8 | C81 | 32.4° | 124.9° |
| O9 | C9 | C8 | C7 | 83.0° | 15.5° |
| O9 | C9 | C10 | H15 | 100.5° | 10.4° |
| C9 | C8 | C3 | C81 | 123.1° | 120.3° |
| C9 | C8 | C3 | C7 | 115.1° | 124.0° |
| C9 | C8 | C3 | C4 | 158.6° | 109.5° |
| C9 | C8 | C81 | C7 | 108.1° | 113.5° |
| C9 | C8 | C7 | O7 | 36.9° | 165.0° |
| C9 | C8 | C7 | C6 | 163.6° | 72.2° |
| C9 | C8 | C3 | H14 | 45.7° | 3.1° |
| C8 | C9 | C10 | H15 | 79.3° | 170.4° |
| C9 | C8 | C7 | H23 | 80.9° | 46.7° |
| C9 | C8 | C81 | H24 | 180.0° | 160.9° |
| C9 | C8 | C81 | H25 | 60.0° | 79.1° |
| C9 | C8 | C81 | H26 | 60.0° | 40.9° |
| C8 | C3 | C4 | H14 | 112.7° | 108.1° |
| C3 | C8 | C81 | C7 | 119.3° | 123.3° |
| C8 | C3 | C4 | O4 | 148.0° | 144.0° |
| C8 | C3 | C4 | C41 | 85.3° | 89.5° |
| C8 | C3 | C4 | C5 | 15.8° | 11.6° |
| C3 | C8 | C7 | O7 | 164.9° | 68.8° |
| C3 | C8 | C7 | C6 | 68.4° | 53.9° |
| C8 | C3 | C2 | H12 | 28.9° | 23.2° |
| C3 | C8 | C7 | H23 | 47.1° | 172.9° |
| C3 | C8 | C81 | H24 | 47.4° | 37.7° |
| C3 | C8 | C81 | H25 | 167.5° | 157.6° |
| C3 | C8 | C81 | H26 | 72.6° | 82.3° |
| C4 | C3 | C8 | C81 | 78.3° | 130.2° |
| C4 | C3 | C8 | C7 | 43.5° | 14.5° |
| C3 | C4 | O4 | C41 | 134.2° | 126.8° |
| C3 | C4 | O4 | C5 | 136.6° | 137.3° |
| C3 | C4 | O4 | C42 | 87.9° | 177.1° |
| C3 | C4 | C41 | C5 | 121.7° | 122.6° |
| C3 | C4 | C41 | O5 | 124.1° | 123.2° |
| C3 | C4 | C5 | O5 | 124.9° | 115.6° |
| C3 | C4 | C5 | C6 | 6.1° | 1.9° |
| C4 | C3 | C2 | H12 | 104.4° | 118.9° |
| C3 | C4 | C5 | H13 | 121.6° | 131.1° |
| C3 | C4 | C41 | H16 | 6.9° | 7.6° |
| C3 | C4 | C41 | H17 | 118.8° | 122.0° |
| C81 | C8 | C7 | O7 | 73.0° | 52.1° |
| C81 | C8 | C7 | C6 | 53.7° | 174.9° |
| C81 | C8 | C3 | H14 | 168.8° | 123.4° |
| C81 | C8 | C7 | H23 | 169.3° | 66.2° |
| C8 | C81 | H24 | H25 | 120.0° | 120.0° |
| C8 | C81 | H24 | H26 | 120.0° | 120.0° |
| C8 | C81 | H25 | H26 | 120.0° | 120.1° |
| C8 | C7 | O7 | C6 | 128.1° | 122.1° |
| C8 | C7 | O7 | H23 | 116.6° | 117.5° |
| C8 | C7 | C6 | H23 | 115.2° | 118.0° |
| C8 | C7 | C6 | C5 | 59.2° | 66.0° |
| C7 | C8 | C3 | H14 | 69.4° | 120.9° |
| C8 | C7 | C6 | H21 | 179.4° | 174.2° |
| C8 | C7 | C6 | H22 | 61.1° | 54.0° |
| C7 | C8 | C81 | H24 | 71.9° | 85.6° |
| C7 | C8 | C81 | H25 | 48.1° | 34.4° |
| C7 | C8 | C81 | H26 | 168.1° | 154.4° |
| C8 | C7 | O7 | H28 | 8.9° | 180.0° |
| O4 | C4 | C41 | C5 | 111.0° | 111.7° |
| C4 | O4 | C42 | C43 | 180.0° | 180.0° |
| O4 | C4 | C41 | O5 | 108.7° | 111.1° |
| C4 | O4 | C42 | O41 | 0.0° | 0.0° |
| O4 | C4 | C5 | O5 | 104.1° | 112.2° |
| O4 | C4 | C5 | C6 | 137.1° | 130.2° |
| O4 | C4 | C5 | H13 | 9.3° | 1.0° |
| O4 | C4 | C3 | H14 | 35.3° | 35.9° |
| O4 | C4 | C41 | H16 | 134.2° | 133.2° |
| O4 | C4 | C41 | H17 | 8.5° | 3.6° |
| C42 | O4 | C4 | C41 | 137.9° | 50.3° |
| C42 | O4 | C4 | C5 | 48.7° | 45.6° |
| O4 | C42 | C43 | O41 | 179.9° | 179.9° |
| O4 | C42 | C43 | H18 | 179.9° | 0.0° |
| O4 | C42 | C43 | H19 | 60.0° | 120.0° |
| O4 | C42 | C43 | H20 | 59.9° | 119.9° |
| C4 | C41 | O5 | H16 | 117.1° | 115.9° |
| C4 | C41 | O5 | H17 | 117.1° | 114.9° |
| C41 | C4 | C5 | O5 | 2.3° | 0.6° |
| C41 | C4 | C5 | C6 | 116.5° | 117.0° |
| C41 | C4 | C5 | H13 | 115.8° | 113.9° |
| C41 | C4 | C3 | H14 | 162.0° | 162.4° |
| C4 | C41 | H16 | H17 | 127.8° | 130.5° |
| C4 | C5 | C6 | C7 | 26.2° | 39.8° |
| C4 | C5 | O5 | C6 | 123.2° | 118.6° |
| C4 | C5 | O5 | H13 | 111.7° | 113.9° |
| C4 | C5 | C6 | H13 | 127.5° | 129.8° |
| C5 | C4 | C3 | H14 | 97.0° | 96.5° |
| C5 | C4 | C41 | H16 | 114.8° | 115.1° |
| C5 | C4 | C41 | H17 | 119.5° | 115.3° |
| C4 | C5 | C6 | H21 | 146.5° | 159.9° |
| C4 | C5 | C6 | H22 | 94.0° | 80.8° |
| C42 | C43 | H18 | H19 | 120.0° | 120.0° |
| C42 | C43 | H18 | H20 | 120.0° | 120.0° |
| C42 | C43 | H19 | H20 | 119.9° | 120.0° |
| C41 | O5 | C5 | C6 | 120.7° | 118.0° |
| C41 | O5 | C5 | H13 | 114.2° | 114.5° |
| O5 | C41 | H16 | H17 | 127.8° | 130.0° |
| O41 | C42 | C43 | H18 | 0.0° | 179.9° |
| O41 | C42 | C43 | H19 | 120.0° | 60.0° |
| O41 | C42 | C43 | H20 | 120.0° | 60.0° |
| O7 | C7 | C6 | H23 | 116.2° | 120.3° |
| O7 | C7 | C6 | C5 | 172.2° | 55.7° |
| O7 | C7 | C6 | H21 | 51.9° | 64.1° |
| O7 | C7 | C6 | H22 | 67.6° | 175.7° |
| C7 | C6 | C5 | O5 | 132.9° | 62.5° |
| C7 | C6 | C5 | H21 | 120.3° | 120.1° |
| C7 | C6 | C5 | H22 | 120.3° | 120.6° |
| C7 | C6 | C5 | H13 | 101.3° | 169.7° |
| C7 | C6 | H21 | H22 | 119.3° | 121.1° |
| C6 | C7 | O7 | H28 | 137.0° | 57.9° |
| O5 | C5 | C6 | H13 | 125.8° | 127.8° |
| C5 | O5 | C41 | H16 | 114.6° | 115.3° |
| C5 | O5 | C41 | H17 | 119.7° | 115.5° |
| O5 | C5 | C6 | H21 | 106.8° | 57.6° |
| O5 | C5 | C6 | H22 | 12.6° | 176.9° |
| C5 | C6 | H21 | H22 | 119.2° | 119.5° |
| C5 | C6 | C7 | H23 | 56.0° | 176.0° |
| H3 | C13 | C14 | H4 | 131.9° | 28.8° |
| H3 | C13 | C14 | H5 | 14.5° | 144.8° |
| H3 | C13 | O13 | H27 | 63.8° | 59.1° |
| H6 | C24 | C25 | H7 | 0.1° | 0.0° |
| H7 | C25 | C26 | H8 | 0.1° | 0.0° |
| H8 | C26 | C27 | H9 | 0.1° | 0.3° |
| H9 | C27 | C28 | H10 | 0.1° | 0.3° |
| H12 | C2 | C3 | H14 | 142.3° | 135.0° |
| H13 | C5 | C6 | H21 | 19.0° | 70.2° |
| H13 | C5 | C6 | H22 | 138.5° | 49.0° |
| H18 | C43 | H19 | H20 | 120.0° | 120.0° |
| H21 | C6 | C7 | H23 | 64.3° | 56.2° |
| H22 | C6 | C7 | H23 | 176.2° | 64.0° |
| H23 | C7 | O7 | H28 | 107.7° | 62.5° |
| H24 | C81 | H25 | H26 | 120.0° | 120.0° |
| H29 | C33 | H30 | H31 | 120.0° | 120.0° |
| H32 | C29 | H33 | H34 | 120.0° | 120.0° |
| H35 | C30 | H36 | H37 | 120.0° | 120.0° |
| H38 | C31 | H39 | H40 | 120.0° | 120.0° |
