G3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C17 | sing | 1.54Å | 1.55Å | |
| C21 | C17 | sing | 1.54Å | 1.53Å | |
| C17 | O4 | sing | 1.42Å | 1.46Å | |
| C17 | C9 | sing | 1.52Å | 1.57Å | |
| O4 | C23 | sing | 1.33Å | 1.34Å | |
| C13 | C9 | sing | 1.52Å | 1.55Å | |
| C13 | C10 | sing | 1.52Å | 1.52Å | |
| O8 | C23 | doub | 1.21Å | 1.23Å | |
| C23 | C20 | sing | 1.48Å | 1.49Å | |
| C9 | C6 | sing | 1.50Å | 1.59Å | |
| O3 | C10 | doub | 1.20Å | 1.23Å | |
| C10 | C2 | sing | 1.51Å | 1.53Å | |
| C20 | C14 | sing | 1.52Å | 1.53Å | |
| C18 | C6 | sing | 1.51Å | 1.55Å | |
| C6 | C14 | sing | 1.49Å | 1.57Å | |
| C6 | C4 | sing | 1.52Å | 1.61Å | |
| C14 | O5 | sing | 1.46Å | 1.43Å | |
| C12 | C2 | sing | 1.54Å | 1.55Å | |
| C2 | C4 | sing | 1.52Å | 1.57Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| O5 | C26 | sing | 1.34Å | 1.36Å | |
| C28 | C26 | sing | 1.51Å | 1.50Å | |
| C4 | C8 | sing | 1.52Å | 1.53Å | |
| C26 | O9 | doub | 1.21Å | 1.22Å | |
| C5 | C1 | sing | 1.52Å | 1.52Å | |
| C5 | O1 | sing | 1.44Å | 1.43Å | |
| C5 | C16 | sing | 1.52Å | 1.48Å | |
| C1 | O1 | sing | 1.44Å | 1.45Å | |
| C1 | C3 | sing | 1.52Å | 1.53Å | |
| O6 | C16 | doub | 1.21Å | 1.22Å | |
| C15 | C3 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C16 | O2 | sing | 1.33Å | 1.36Å | |
| C3 | C7 | sing | 1.51Å | 1.56Å | |
| C3 | C11 | sing | 1.53Å | 1.58Å | |
| O2 | C11 | sing | 1.44Å | 1.46Å | |
| C11 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C24 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | C25 | doub | 1.35Å | 1.37Å | Aromatic |
| C24 | C27 | doub | 1.35Å | 1.37Å | Aromatic |
| C25 | O7 | sing | 1.34Å | 1.36Å | Aromatic |
| C27 | O7 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.12Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.10Å | 1.10Å | |
| C7 | H4 | sing | 1.10Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.12Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.10Å | |
| C20 | H22 | sing | 1.11Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C17 | C21 | 105.4° | 106.9° |
| C22 | C17 | O4 | 100.3° | 109.3° |
| C22 | C17 | C9 | 110.6° | 108.5° |
| C17 | C22 | H26 | 109.5° | 109.5° |
| C17 | C22 | H27 | 109.5° | 109.5° |
| C17 | C22 | H28 | 109.5° | 109.4° |
| C21 | C17 | O4 | 110.6° | 106.9° |
| C21 | C17 | C9 | 117.1° | 109.8° |
| C17 | C21 | H23 | 109.5° | 109.4° |
| C17 | C21 | H24 | 109.4° | 109.5° |
| C17 | C21 | H25 | 109.4° | 109.5° |
| O4 | C17 | C9 | 111.4° | 115.1° |
| C17 | O4 | C23 | 130.7° | 122.9° |
| C17 | C9 | C13 | 112.0° | 113.0° |
| C17 | C9 | C6 | 118.9° | 119.0° |
| C17 | C9 | H7 | 104.4° | 102.1° |
| O4 | C23 | O8 | 120.7° | 120.8° |
| O4 | C23 | C20 | 118.3° | 122.5° |
| C9 | C13 | C10 | 112.2° | 108.8° |
| C13 | C9 | C6 | 111.1° | 115.2° |
| C13 | C9 | H7 | 104.7° | 102.0° |
| C9 | C13 | H12 | 108.8° | 111.6° |
| C9 | C13 | H13 | 108.8° | 110.9° |
| C13 | C10 | O3 | 120.3° | 121.6° |
| C13 | C10 | C2 | 116.6° | 115.4° |
| C10 | C13 | H12 | 108.8° | 110.0° |
| C10 | C13 | H13 | 108.8° | 105.5° |
| O8 | C23 | C20 | 120.9° | 116.7° |
| C23 | C20 | C14 | 114.9° | 111.0° |
| C23 | C20 | H21 | 108.1° | 110.5° |
| C23 | C20 | H22 | 108.1° | 107.0° |
| C9 | C6 | C18 | 114.0° | 105.2° |
| C9 | C6 | C14 | 110.5° | 117.3° |
| C9 | C6 | C4 | 105.8° | 112.6° |
| C6 | C9 | H7 | 104.2° | 102.0° |
| O3 | C10 | C2 | 123.1° | 122.9° |
| C10 | C2 | C12 | 107.4° | 108.4° |
| C10 | C2 | C4 | 103.6° | 108.0° |
| C10 | C2 | C1 | 112.4° | 112.1° |
| C20 | C14 | C6 | 117.7° | 117.1° |
| C20 | C14 | O5 | 108.6° | 109.4° |
| C20 | C14 | H14 | 106.2° | 107.7° |
| C14 | C20 | H21 | 108.1° | 113.8° |
| C14 | C20 | H22 | 108.1° | 108.1° |
| C18 | C6 | C14 | 107.3° | 103.7° |
| C18 | C6 | C4 | 110.4° | 105.7° |
| C6 | C18 | H18 | 109.5° | 109.5° |
| C6 | C18 | H19 | 109.5° | 109.5° |
| C6 | C18 | H20 | 109.5° | 109.5° |
| C14 | C6 | C4 | 108.7° | 111.0° |
| C6 | C14 | O5 | 110.8° | 108.4° |
| C6 | C14 | H14 | 105.6° | 107.6° |
| C6 | C4 | C2 | 117.5° | 117.3° |
| C6 | C4 | C8 | 117.2° | 117.1° |
| C6 | C4 | H1 | 103.4° | 100.4° |
| C14 | O5 | C26 | 115.6° | 117.0° |
| O5 | C14 | H14 | 107.3° | 106.1° |
| C12 | C2 | C4 | 114.9° | 113.9° |
| C12 | C2 | C1 | 108.4° | 105.5° |
| C2 | C12 | H9 | 109.5° | 109.4° |
| C2 | C12 | H10 | 109.4° | 109.5° |
| C2 | C12 | H11 | 109.5° | 109.5° |
| C4 | C2 | C1 | 110.1° | 108.9° |
| C2 | C4 | C8 | 109.0° | 109.5° |
| C2 | C4 | H1 | 103.6° | 105.9° |
| C2 | C1 | C5 | 121.1° | 120.4° |
| C2 | C1 | O1 | 113.0° | 112.7° |
| C2 | C1 | C3 | 119.6° | 118.2° |
| O5 | C26 | C28 | 109.6° | 119.9° |
| O5 | C26 | O9 | 126.4° | 120.1° |
| C28 | C26 | O9 | 124.0° | 120.0° |
| C26 | C28 | H32 | 109.5° | 109.5° |
| C26 | C28 | H33 | 109.5° | 109.5° |
| C26 | C28 | H34 | 109.5° | 109.5° |
| C4 | C8 | C7 | 112.4° | 109.9° |
| C8 | C4 | H1 | 104.1° | 104.7° |
| C4 | C8 | H5 | 108.7° | 111.6° |
| C4 | C8 | H6 | 108.7° | 110.5° |
| C1 | C5 | O1 | 59.0° | 58.3° |
| C1 | C5 | C16 | 120.8° | 116.2° |
| C5 | C1 | O1 | 57.3° | 57.8° |
| C5 | C1 | C3 | 116.4° | 117.0° |
| C1 | C5 | H2 | 115.8° | 120.0° |
| O1 | C5 | C16 | 114.3° | 113.3° |
| C5 | O1 | C1 | 63.7° | 63.9° |
| O1 | C5 | H2 | 117.6° | 119.8° |
| C5 | C16 | O6 | 120.4° | 120.0° |
| C5 | C16 | O2 | 117.3° | 119.6° |
| C16 | C5 | H2 | 116.6° | 116.5° |
| O1 | C1 | C3 | 112.1° | 115.7° |
| C1 | C3 | C15 | 109.3° | 109.2° |
| C1 | C3 | C7 | 108.6° | 114.0° |
| C1 | C3 | C11 | 108.6° | 109.0° |
| O6 | C16 | O2 | 122.3° | 120.3° |
| C15 | C3 | C7 | 112.8° | 109.2° |
| C15 | C3 | C11 | 108.5° | 104.1° |
| C3 | C15 | H15 | 109.5° | 109.5° |
| C3 | C15 | H16 | 109.4° | 109.5° |
| C3 | C15 | H17 | 109.5° | 109.5° |
| C8 | C7 | C3 | 117.1° | 114.2° |
| C8 | C7 | H3 | 107.5° | 107.8° |
| C8 | C7 | H4 | 107.5° | 108.3° |
| C7 | C8 | H5 | 108.7° | 108.4° |
| C7 | C8 | H6 | 108.7° | 108.9° |
| C16 | O2 | C11 | 122.0° | 122.4° |
| C7 | C3 | C11 | 109.0° | 110.8° |
| C3 | C7 | H3 | 107.5° | 109.4° |
| C3 | C7 | H4 | 107.5° | 109.2° |
| C3 | C11 | O2 | 110.9° | 112.1° |
| C3 | C11 | C19 | 115.3° | 108.2° |
| C3 | C11 | H8 | 106.1° | 108.0° |
| O2 | C11 | C19 | 109.7° | 109.1° |
| O2 | C11 | H8 | 107.6° | 110.2° |
| C11 | C19 | C24 | 126.7° | 126.6° |
| C11 | C19 | C25 | 126.5° | 126.6° |
| C19 | C11 | H8 | 106.8° | 109.1° |
| C24 | C19 | C25 | 106.8° | 106.9° |
| C19 | C24 | C27 | 105.8° | 106.8° |
| C19 | C24 | H29 | 127.1° | 126.6° |
| C19 | C25 | O7 | 110.2° | 108.4° |
| C19 | C25 | H30 | 124.9° | 125.8° |
| C24 | C27 | O7 | 110.6° | 108.4° |
| C27 | C24 | H29 | 127.1° | 126.5° |
| C24 | C27 | H31 | 124.7° | 125.8° |
| C25 | O7 | C27 | 106.6° | 109.5° |
| O7 | C25 | H30 | 124.9° | 125.8° |
| O7 | C27 | H31 | 124.7° | 125.8° |
| H3 | C7 | H4 | 109.5° | 107.6° |
| H5 | C8 | H6 | 109.5° | 107.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.9° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.4° |
| H21 | C20 | H22 | 109.5° | 106.0° |
| H23 | C21 | H24 | 109.5° | 109.4° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H28 | 109.4° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.4° |
| H32 | C28 | H33 | 109.4° | 109.4° |
| H32 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C17 | C21 | O4 | 107.5° | 117.0° |
| C22 | C17 | C21 | C9 | 123.4° | 117.5° |
| C22 | C17 | O4 | C9 | 117.0° | 122.4° |
| C22 | C17 | O4 | C23 | 179.3° | 48.2° |
| C22 | C17 | C9 | C13 | 45.0° | 116.8° |
| C22 | C17 | C9 | C6 | 176.8° | 103.2° |
| C22 | C17 | C9 | H7 | 67.7° | 8.0° |
| C22 | C17 | C21 | H23 | 180.0° | 56.9° |
| C22 | C17 | C21 | H24 | 60.0° | 63.0° |
| C22 | C17 | C21 | H25 | 60.0° | 176.9° |
| C17 | C22 | H26 | H27 | 120.0° | 120.0° |
| C17 | C22 | H26 | H28 | 120.0° | 119.9° |
| C17 | C22 | H27 | H28 | 120.0° | 119.9° |
| C21 | C17 | O4 | C9 | 132.1° | 122.3° |
| C21 | C17 | O4 | C23 | 69.8° | 163.6° |
| C21 | C17 | C9 | C13 | 75.7° | 0.4° |
| C21 | C17 | C9 | C6 | 56.0° | 140.3° |
| C21 | C17 | C9 | H7 | 171.6° | 108.4° |
| C17 | C21 | H23 | H24 | 120.0° | 119.9° |
| C17 | C21 | H23 | H25 | 120.0° | 120.0° |
| C17 | C21 | H24 | H25 | 120.0° | 120.1° |
| C21 | C17 | C22 | H26 | 180.0° | 175.3° |
| C21 | C17 | C22 | H27 | 60.0° | 64.6° |
| C21 | C17 | C22 | H28 | 60.0° | 55.4° |
| O4 | C17 | C9 | C13 | 155.6° | 120.3° |
| C17 | O4 | C23 | O8 | 175.7° | 105.6° |
| C17 | O4 | C23 | C20 | 3.7° | 76.7° |
| O4 | C17 | C9 | C6 | 72.7° | 19.6° |
| O4 | C17 | C9 | H7 | 42.9° | 130.9° |
| O4 | C17 | C21 | H23 | 72.5° | 60.1° |
| O4 | C17 | C21 | H24 | 47.5° | 180.0° |
| O4 | C17 | C21 | H25 | 167.5° | 59.9° |
| O4 | C17 | C22 | H26 | 65.1° | 59.9° |
| O4 | C17 | C22 | H27 | 174.9° | 180.0° |
| O4 | C17 | C22 | H28 | 54.9° | 60.0° |
| C9 | C17 | O4 | C23 | 62.3° | 74.1° |
| C17 | C9 | C13 | C6 | 135.5° | 141.6° |
| C17 | C9 | C13 | H7 | 112.5° | 108.8° |
| C17 | C9 | C13 | C10 | 169.3° | 167.7° |
| C17 | C9 | C6 | H7 | 115.7° | 111.3° |
| C17 | C9 | C6 | C18 | 62.9° | 69.9° |
| C17 | C9 | C6 | C14 | 58.1° | 44.8° |
| C17 | C9 | C6 | C4 | 175.6° | 175.5° |
| C17 | C9 | C13 | H12 | 70.3° | 70.7° |
| C17 | C9 | C13 | H13 | 48.9° | 52.2° |
| C9 | C17 | C21 | H23 | 56.6° | 174.4° |
| C9 | C17 | C21 | H24 | 176.6° | 54.5° |
| C9 | C17 | C21 | H25 | 63.4° | 65.6° |
| C9 | C17 | C22 | H26 | 52.6° | 66.3° |
| C9 | C17 | C22 | H27 | 67.5° | 53.8° |
| C9 | C17 | C22 | H28 | 172.5° | 173.7° |
| O4 | C23 | O8 | C20 | 179.4° | 177.9° |
| O4 | C23 | C20 | C14 | 62.3° | 52.0° |
| O4 | C23 | C20 | H21 | 176.9° | 75.2° |
| O4 | C23 | C20 | H22 | 58.5° | 169.8° |
| C9 | C13 | C10 | H12 | 120.4° | 122.6° |
| C9 | C13 | C10 | H13 | 120.4° | 118.9° |
| C13 | C9 | C6 | H7 | 112.2° | 109.6° |
| C9 | C13 | C10 | O3 | 121.4° | 122.8° |
| C9 | C13 | C10 | C2 | 58.9° | 57.0° |
| C13 | C9 | C6 | C18 | 69.2° | 69.3° |
| C13 | C9 | C6 | C14 | 169.8° | 176.1° |
| C13 | C9 | C6 | C4 | 52.3° | 45.4° |
| C9 | C13 | H12 | H13 | 118.8° | 123.4° |
| C10 | C13 | C9 | C6 | 55.2° | 50.7° |
| C13 | C10 | O3 | C2 | 179.7° | 179.8° |
| C13 | C10 | C2 | C12 | 66.9° | 69.0° |
| C13 | C10 | C2 | C4 | 55.2° | 54.9° |
| C13 | C10 | C2 | C1 | 174.0° | 175.0° |
| C10 | C13 | C9 | H7 | 56.7° | 58.9° |
| C10 | C13 | H12 | H13 | 118.8° | 115.7° |
| O8 | C23 | C20 | C14 | 118.3° | 130.2° |
| O8 | C23 | C20 | H21 | 2.5° | 102.6° |
| O8 | C23 | C20 | H22 | 120.9° | 12.4° |
| C23 | C20 | C14 | H21 | 120.8° | 125.4° |
| C23 | C20 | C14 | H22 | 120.8° | 117.1° |
| C23 | C20 | C14 | C6 | 80.9° | 61.8° |
| C23 | C20 | C14 | O5 | 46.0° | 62.0° |
| C23 | C20 | C14 | H14 | 161.1° | 176.9° |
| C23 | C20 | H21 | H22 | 117.5° | 115.6° |
| C9 | C6 | C14 | C20 | 60.1° | 80.4° |
| C9 | C6 | C18 | C14 | 122.7° | 123.8° |
| C9 | C6 | C18 | C4 | 118.9° | 119.3° |
| C9 | C6 | C14 | C4 | 115.7° | 131.4° |
| C9 | C6 | C14 | O5 | 65.8° | 44.0° |
| C9 | C6 | C4 | C2 | 57.1° | 44.6° |
| C9 | C6 | C4 | C8 | 170.1° | 178.0° |
| C9 | C6 | C4 | H1 | 56.3° | 69.5° |
| C6 | C9 | C13 | H12 | 65.2° | 70.9° |
| C6 | C9 | C13 | H13 | 175.6° | 166.2° |
| C9 | C6 | C14 | H14 | 178.3° | 158.3° |
| C9 | C6 | C18 | H18 | 180.0° | 72.7° |
| C9 | C6 | C18 | H19 | 60.0° | 47.3° |
| C9 | C6 | C18 | H20 | 60.0° | 167.3° |
| O3 | C10 | C2 | C12 | 112.8° | 111.2° |
| O3 | C10 | C2 | C4 | 125.1° | 124.9° |
| O3 | C10 | C2 | C1 | 6.3° | 4.8° |
| O3 | C10 | C13 | H12 | 118.2° | 114.6° |
| O3 | C10 | C13 | H13 | 1.0° | 3.9° |
| C10 | C2 | C4 | C6 | 56.3° | 48.1° |
| C10 | C2 | C12 | C4 | 114.7° | 120.3° |
| C10 | C2 | C12 | C1 | 121.6° | 120.3° |
| C10 | C2 | C4 | C1 | 120.4° | 122.0° |
| C10 | C2 | C4 | C8 | 167.3° | 175.3° |
| C10 | C2 | C1 | C5 | 53.8° | 38.0° |
| C10 | C2 | C1 | O1 | 118.4° | 102.8° |
| C10 | C2 | C1 | C3 | 106.2° | 117.8° |
| C10 | C2 | C4 | H1 | 57.0° | 62.9° |
| C10 | C2 | C12 | H9 | 180.0° | 49.1° |
| C10 | C2 | C12 | H10 | 60.0° | 70.9° |
| C10 | C2 | C12 | H11 | 60.0° | 169.0° |
| C2 | C10 | C13 | H12 | 61.5° | 65.5° |
| C2 | C10 | C13 | H13 | 179.3° | 176.0° |
| C20 | C14 | C6 | C18 | 64.8° | 35.1° |
| C20 | C14 | C6 | O5 | 125.9° | 124.3° |
| C20 | C14 | C6 | H14 | 118.3° | 121.3° |
| C20 | C14 | C6 | C4 | 175.7° | 148.2° |
| C20 | C14 | O5 | H14 | 114.4° | 115.9° |
| C20 | C14 | O5 | C26 | 52.4° | 81.2° |
| C14 | C20 | H21 | H22 | 117.5° | 118.7° |
| C18 | C6 | C14 | C4 | 119.4° | 113.1° |
| C18 | C6 | C14 | O5 | 169.3° | 159.4° |
| C18 | C6 | C4 | C2 | 66.7° | 69.7° |
| C18 | C6 | C4 | C8 | 66.1° | 63.7° |
| C18 | C6 | C4 | H1 | 179.8° | 176.2° |
| C18 | C6 | C9 | H7 | 178.6° | 178.9° |
| C18 | C6 | C14 | H14 | 53.4° | 86.3° |
| C6 | C18 | H18 | H19 | 120.0° | 120.0° |
| C6 | C18 | H18 | H20 | 120.0° | 120.0° |
| C6 | C18 | H19 | H20 | 120.0° | 119.9° |
| C6 | C14 | O5 | H14 | 114.8° | 115.3° |
| C14 | C6 | C4 | C2 | 175.7° | 178.5° |
| C6 | C14 | O5 | C26 | 176.8° | 150.0° |
| C14 | C6 | C4 | C8 | 51.4° | 48.2° |
| C14 | C6 | C4 | H1 | 62.3° | 64.3° |
| C14 | C6 | C9 | H7 | 57.6° | 66.5° |
| C14 | C6 | C18 | H18 | 57.3° | 51.1° |
| C14 | C6 | C18 | H19 | 62.7° | 171.1° |
| C14 | C6 | C18 | H20 | 177.3° | 69.0° |
| C6 | C14 | C20 | H21 | 158.3° | 63.6° |
| C6 | C14 | C20 | H22 | 39.9° | 178.9° |
| C4 | C6 | C14 | O5 | 49.9° | 87.5° |
| C6 | C4 | C2 | C12 | 60.6° | 72.4° |
| C6 | C4 | C2 | C8 | 136.4° | 136.6° |
| C6 | C4 | C2 | H1 | 113.2° | 111.0° |
| C6 | C4 | C2 | C1 | 176.7° | 170.1° |
| C6 | C4 | C8 | H1 | 113.4° | 110.0° |
| C6 | C4 | C8 | C7 | 160.5° | 153.5° |
| C6 | C4 | C8 | H5 | 40.1° | 33.1° |
| C6 | C4 | C8 | H6 | 79.1° | 86.3° |
| C4 | C6 | C9 | H7 | 59.9° | 64.2° |
| C4 | C6 | C14 | H14 | 66.0° | 26.8° |
| C4 | C6 | C18 | H18 | 61.1° | 167.9° |
| C4 | C6 | C18 | H19 | 178.9° | 72.0° |
| C4 | C6 | C18 | H20 | 59.0° | 47.9° |
| C14 | O5 | C26 | C28 | 150.0° | 180.0° |
| C14 | O5 | C26 | O9 | 30.0° | 0.1° |
| O5 | C14 | C20 | H21 | 74.8° | 172.6° |
| O5 | C14 | C20 | H22 | 166.8° | 55.1° |
| C12 | C2 | C4 | C1 | 122.7° | 117.5° |
| C12 | C2 | C4 | C8 | 75.8° | 64.2° |
| C12 | C2 | C1 | C5 | 64.7° | 79.8° |
| C12 | C2 | C1 | O1 | 0.1° | 14.9° |
| C12 | C2 | C1 | C3 | 135.3° | 124.4° |
| C12 | C2 | C4 | H1 | 173.9° | 176.6° |
| C2 | C12 | H9 | H10 | 120.0° | 120.0° |
| C2 | C12 | H9 | H11 | 120.0° | 119.9° |
| C2 | C12 | H10 | H11 | 120.0° | 120.0° |
| C2 | C4 | C8 | H1 | 110.1° | 113.2° |
| C4 | C2 | C1 | C5 | 168.8° | 157.5° |
| C4 | C2 | C1 | O1 | 126.6° | 137.6° |
| C4 | C2 | C1 | C3 | 8.8° | 1.7° |
| C2 | C4 | C8 | C7 | 62.9° | 69.7° |
| C2 | C4 | C8 | H5 | 176.6° | 169.9° |
| C2 | C4 | C8 | H6 | 57.5° | 50.4° |
| C4 | C2 | C12 | H9 | 65.2° | 71.2° |
| C4 | C2 | C12 | H10 | 54.7° | 168.8° |
| C4 | C2 | C12 | H11 | 174.7° | 48.7° |
| C1 | C2 | C4 | C8 | 46.9° | 53.2° |
| C2 | C1 | C5 | O1 | 98.9° | 99.2° |
| C2 | C1 | C5 | C3 | 160.6° | 156.0° |
| C2 | C1 | C5 | C16 | 159.4° | 158.4° |
| C2 | C1 | O1 | C3 | 138.8° | 140.4° |
| C2 | C1 | C3 | C15 | 74.8° | 79.9° |
| C2 | C1 | C3 | C7 | 48.6° | 42.5° |
| C2 | C1 | C3 | C11 | 167.0° | 167.0° |
| C1 | C2 | C4 | H1 | 63.4° | 59.1° |
| C2 | C1 | C5 | H2 | 9.1° | 9.4° |
| C1 | C2 | C12 | H9 | 58.4° | 169.4° |
| C1 | C2 | C12 | H10 | 178.4° | 49.4° |
| C1 | C2 | C12 | H11 | 61.7° | 70.7° |
| O5 | C26 | C28 | O9 | 180.0° | 179.9° |
| C26 | O5 | C14 | H14 | 61.9° | 34.7° |
| O5 | C26 | C28 | H32 | 180.0° | 60.1° |
| O5 | C26 | C28 | H33 | 60.0° | 180.0° |
| O5 | C26 | C28 | H34 | 60.0° | 60.0° |
| C26 | C28 | H32 | H33 | 120.0° | 120.0° |
| C26 | C28 | H32 | H34 | 120.0° | 120.1° |
| C26 | C28 | H33 | H34 | 120.0° | 120.0° |
| C4 | C8 | C7 | H5 | 120.4° | 122.2° |
| C4 | C8 | C7 | H6 | 120.4° | 121.2° |
| C4 | C8 | C7 | C3 | 21.1° | 26.6° |
| C4 | C8 | C7 | H3 | 100.0° | 148.5° |
| C4 | C8 | C7 | H4 | 142.2° | 95.3° |
| C4 | C8 | H5 | H6 | 118.7° | 121.3° |
| O9 | C26 | C28 | H32 | 0.0° | 120.0° |
| O9 | C26 | C28 | H33 | 120.0° | 0.0° |
| O9 | C26 | C28 | H34 | 120.0° | 119.9° |
| C1 | C5 | O1 | C16 | 112.6° | 107.3° |
| C1 | C5 | O1 | H2 | 105.0° | 108.8° |
| C1 | C5 | C16 | H2 | 150.0° | 150.1° |
| C5 | C1 | O1 | C3 | 108.0° | 106.9° |
| C1 | C5 | C16 | O6 | 163.7° | 162.2° |
| C5 | C1 | C3 | C15 | 86.1° | 76.7° |
| C1 | C5 | C16 | O2 | 14.4° | 16.4° |
| C5 | C1 | C3 | C7 | 150.5° | 160.9° |
| C5 | C1 | C3 | C11 | 32.1° | 36.4° |
| O1 | C5 | C16 | H2 | 142.8° | 145.1° |
| O1 | C5 | C16 | O6 | 129.1° | 132.9° |
| O1 | C5 | C16 | O2 | 52.8° | 48.4° |
| C16 | C5 | C1 | C3 | 1.3° | 2.3° |
| C5 | C16 | O6 | O2 | 177.9° | 178.6° |
| C5 | C16 | O2 | C11 | 11.6° | 4.0° |
| O1 | C1 | C3 | C15 | 149.4° | 141.9° |
| O1 | C1 | C3 | C7 | 87.2° | 95.6° |
| O1 | C1 | C3 | C11 | 31.2° | 28.8° |
| C1 | C3 | C15 | C7 | 120.9° | 125.3° |
| C1 | C3 | C15 | C11 | 118.3° | 116.3° |
| C1 | C3 | C7 | C8 | 32.5° | 26.3° |
| C1 | C3 | C7 | C11 | 118.2° | 123.4° |
| C1 | C3 | C11 | O2 | 54.9° | 55.7° |
| C1 | C3 | C11 | C19 | 179.7° | 176.0° |
| C3 | C1 | C5 | H2 | 151.5° | 146.7° |
| C1 | C3 | C7 | H3 | 153.6° | 94.6° |
| C1 | C3 | C7 | H4 | 88.6° | 147.8° |
| C1 | C3 | C11 | H8 | 61.7° | 66.0° |
| C1 | C3 | C15 | H15 | 180.0° | 51.9° |
| C1 | C3 | C15 | H16 | 60.0° | 171.9° |
| C1 | C3 | C15 | H17 | 60.0° | 68.1° |
| O6 | C16 | O2 | C11 | 170.5° | 177.4° |
| O6 | C16 | C5 | H2 | 13.6° | 12.2° |
| C15 | C3 | C7 | C8 | 88.8° | 96.1° |
| C15 | C3 | C7 | C11 | 120.5° | 114.1° |
| C15 | C3 | C11 | O2 | 63.9° | 60.7° |
| C15 | C3 | C11 | C19 | 61.6° | 59.6° |
| C15 | C3 | C7 | H3 | 32.3° | 143.0° |
| C15 | C3 | C7 | H4 | 150.0° | 25.4° |
| C15 | C3 | C11 | H8 | 179.6° | 177.6° |
| C3 | C15 | H15 | H16 | 120.0° | 120.0° |
| C3 | C15 | H15 | H17 | 120.0° | 120.1° |
| C3 | C15 | H16 | H17 | 120.0° | 120.1° |
| C8 | C7 | C3 | H3 | 121.1° | 120.9° |
| C8 | C7 | C3 | H4 | 121.1° | 121.5° |
| C8 | C7 | C3 | C11 | 150.7° | 149.8° |
| C7 | C8 | C4 | H1 | 47.1° | 43.4° |
| C8 | C7 | H3 | H4 | 116.5° | 116.7° |
| C7 | C8 | H5 | H6 | 118.7° | 117.5° |
| C16 | O2 | C11 | C3 | 47.2° | 41.6° |
| C16 | O2 | C11 | C19 | 175.8° | 161.4° |
| O2 | C16 | C5 | H2 | 164.4° | 166.5° |
| C16 | O2 | C11 | H8 | 68.4° | 78.7° |
| C7 | C3 | C11 | O2 | 173.0° | 178.1° |
| C7 | C3 | C11 | C19 | 61.5° | 57.7° |
| C3 | C7 | H3 | H4 | 116.5° | 118.6° |
| C3 | C7 | C8 | H5 | 141.5° | 148.8° |
| C3 | C7 | C8 | H6 | 99.3° | 94.5° |
| C7 | C3 | C11 | H8 | 56.5° | 60.3° |
| C7 | C3 | C15 | H15 | 59.1° | 73.3° |
| C7 | C3 | C15 | H16 | 179.1° | 46.6° |
| C7 | C3 | C15 | H17 | 60.9° | 166.6° |
| C3 | C11 | O2 | C19 | 128.5° | 119.8° |
| C3 | C11 | O2 | H8 | 115.6° | 120.4° |
| C3 | C11 | C19 | H8 | 117.6° | 117.3° |
| C3 | C11 | C19 | C24 | 119.2° | 97.8° |
| C3 | C11 | C19 | C25 | 60.9° | 82.3° |
| C11 | C3 | C7 | H3 | 88.2° | 28.9° |
| C11 | C3 | C7 | H4 | 29.6° | 88.8° |
| C11 | C3 | C15 | H15 | 61.7° | 168.2° |
| C11 | C3 | C15 | H16 | 58.3° | 71.8° |
| C11 | C3 | C15 | H17 | 178.3° | 48.2° |
| O2 | C11 | C19 | H8 | 116.3° | 120.5° |
| O2 | C11 | C19 | C24 | 6.9° | 139.9° |
| O2 | C11 | C19 | C25 | 173.0° | 40.0° |
| C11 | C19 | C24 | C25 | 179.9° | 179.9° |
| C11 | C19 | C24 | C27 | 179.9° | 180.0° |
| C11 | C19 | C25 | O7 | 180.0° | 180.0° |
| C11 | C19 | C24 | H29 | 0.0° | 0.1° |
| C11 | C19 | C25 | H30 | 0.0° | 0.1° |
| C19 | C24 | C27 | H29 | 180.0° | 179.9° |
| C24 | C19 | C25 | O7 | 0.1° | 0.0° |
| C19 | C24 | C27 | O7 | 0.0° | 0.1° |
| C24 | C19 | C11 | H8 | 123.2° | 19.5° |
| C24 | C19 | C25 | H30 | 179.9° | 180.0° |
| C19 | C24 | C27 | H31 | 180.0° | 180.0° |
| C25 | C19 | C24 | C27 | 0.1° | 0.1° |
| C19 | C25 | O7 | H30 | 180.0° | 180.0° |
| C19 | C25 | O7 | C27 | 0.1° | 0.0° |
| C25 | C19 | C11 | H8 | 56.7° | 160.4° |
| C25 | C19 | C24 | H29 | 179.9° | 180.0° |
| C24 | C27 | O7 | C25 | 0.0° | 0.1° |
| C24 | C27 | O7 | H31 | 180.0° | 179.9° |
| C25 | O7 | C27 | H31 | 180.0° | 180.0° |
| O7 | C27 | C24 | H29 | 180.0° | 180.0° |
| C27 | O7 | C25 | H30 | 179.9° | 179.9° |
| H1 | C4 | C8 | H5 | 73.3° | 76.9° |
| H1 | C4 | C8 | H6 | 167.6° | 163.6° |
| H3 | C7 | C8 | H5 | 20.4° | 89.3° |
| H3 | C7 | C8 | H6 | 139.5° | 27.3° |
| H4 | C7 | C8 | H5 | 97.4° | 26.9° |
| H4 | C7 | C8 | H6 | 21.7° | 143.5° |
| H7 | C9 | C13 | H12 | 177.1° | 179.5° |
| H7 | C9 | C13 | H13 | 63.7° | 56.6° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
| H14 | C14 | C20 | H21 | 40.3° | 57.7° |
| H14 | C14 | C20 | H22 | 78.1° | 59.8° |
| H15 | C15 | H16 | H17 | 120.0° | 119.9° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | H27 | H28 | 120.0° | 120.0° |
| H29 | C24 | C27 | H31 | 0.1° | 0.1° |
| H32 | C28 | H33 | H34 | 120.0° | 120.0° |
