QBJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C25 | doub | 1.21Å | 1.26Å | |
| C1 | O | sing | 1.43Å | 1.43Å | |
| C25 | O8 | sing | 1.34Å | 1.25Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| O | C | sing | 1.36Å | 1.36Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C2 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| S | C3 | sing | 1.76Å | 1.74Å | Aromatic |
| S | C4 | sing | 1.75Å | 1.75Å | Aromatic |
| C3 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.48Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.33Å | 1.54Å | |
| C10 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.44Å | Aromatic |
| O1 | C5 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.42Å | 1.46Å | |
| C4 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| C22 | O6 | doub | 1.21Å | 1.23Å | |
| C22 | C21 | sing | 1.42Å | 1.47Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | O4 | sing | 1.43Å | 1.43Å | |
| C26 | C21 | doub | 1.34Å | 1.32Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C21 | S1 | sing | 1.75Å | 1.76Å | Aromatic |
| C28 | C27 | doub | 1.42Å | 1.39Å | Aromatic |
| C28 | C16 | sing | 1.36Å | 1.38Å | Aromatic |
| C27 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| O4 | C16 | sing | 1.36Å | 1.36Å | |
| C16 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| S1 | C20 | sing | 1.76Å | 1.73Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | O5 | sing | 1.36Å | 1.36Å | |
| O5 | C18 | sing | 1.43Å | 1.42Å | |
| C8 | O3 | doub | 1.21Å | 1.26Å | |
| C8 | O2 | sing | 1.34Å | 1.25Å | |
| O8 | H1 | sing | 0.97Å | 0.95Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| O2 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C25 | O8 | 124.5° | 120.0° |
| O7 | C25 | C24 | 117.6° | 120.0° |
| C1 | O | C | 117.4° | 117.0° |
| O | C1 | H16 | 109.5° | 109.4° |
| O | C1 | H17 | 109.5° | 109.5° |
| O | C1 | H18 | 109.5° | 109.5° |
| O8 | C25 | C24 | 117.9° | 120.0° |
| C25 | O8 | H1 | 109.5° | 117.0° |
| C25 | C24 | C23 | 113.1° | 109.5° |
| C25 | C24 | H2 | 108.6° | 109.5° |
| C25 | C24 | H3 | 108.6° | 109.5° |
| O | C | C2 | 123.2° | 120.0° |
| O | C | C12 | 115.8° | 120.0° |
| C24 | C23 | C22 | 113.2° | 109.5° |
| C23 | C24 | H2 | 108.6° | 109.4° |
| C23 | C24 | H3 | 108.6° | 109.5° |
| C24 | C23 | H4 | 108.6° | 109.4° |
| C24 | C23 | H5 | 108.5° | 109.5° |
| C | C2 | C3 | 119.5° | 120.5° |
| C2 | C | C12 | 121.0° | 120.0° |
| C | C2 | H20 | 120.3° | 119.8° |
| C2 | C3 | S | 125.9° | 130.2° |
| C2 | C3 | C10 | 121.3° | 120.2° |
| C3 | C2 | H20 | 120.2° | 119.8° |
| C | C12 | C13 | 122.4° | 119.9° |
| C | C12 | C11 | 118.6° | 120.2° |
| C3 | S | C4 | 88.9° | 91.7° |
| S | C3 | C10 | 112.8° | 109.6° |
| S | C4 | C5 | 112.7° | 124.7° |
| S | C4 | C9 | 115.2° | 110.6° |
| C3 | C10 | C11 | 117.9° | 118.9° |
| C3 | C10 | C9 | 111.3° | 112.6° |
| C23 | C22 | O6 | 121.2° | 120.1° |
| C23 | C22 | C21 | 115.9° | 120.0° |
| C22 | C23 | H4 | 108.5° | 109.5° |
| C22 | C23 | H5 | 108.5° | 109.5° |
| C13 | C12 | C11 | 118.5° | 119.9° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C12 | C13 | H15 | 120.2° | 120.0° |
| C12 | C11 | C10 | 121.7° | 120.3° |
| C12 | C11 | H19 | 119.1° | 119.8° |
| C13 | C14 | C15 | 115.1° | 120.0° |
| C13 | C14 | H14 | 122.4° | 119.9° |
| C14 | C13 | H15 | 120.2° | 120.0° |
| C11 | C10 | C9 | 130.8° | 128.6° |
| C10 | C11 | H19 | 119.2° | 119.9° |
| C10 | C9 | C4 | 111.5° | 115.6° |
| C10 | C9 | H21 | 124.2° | 122.2° |
| O1 | C5 | C4 | 121.8° | 120.0° |
| O1 | C5 | C6 | 121.9° | 120.1° |
| C5 | C4 | C9 | 131.6° | 124.7° |
| C4 | C5 | C6 | 116.3° | 120.0° |
| C4 | C9 | H21 | 124.3° | 122.2° |
| O6 | C22 | C21 | 122.9° | 120.0° |
| C22 | C21 | C26 | 130.8° | 124.7° |
| C22 | C21 | S1 | 114.0° | 124.7° |
| C14 | C15 | O4 | 105.9° | 109.5° |
| C14 | C15 | H12 | 110.3° | 109.5° |
| C14 | C15 | H13 | 110.4° | 109.5° |
| C15 | C14 | H14 | 122.4° | 120.0° |
| C15 | O4 | C16 | 117.2° | 117.0° |
| O4 | C15 | H12 | 110.4° | 109.4° |
| O4 | C15 | H13 | 110.4° | 109.5° |
| C21 | C26 | C27 | 112.2° | 115.5° |
| C26 | C21 | S1 | 114.2° | 110.6° |
| C21 | C26 | H6 | 123.9° | 122.3° |
| C26 | C27 | C28 | 129.6° | 128.7° |
| C26 | C27 | C20 | 111.9° | 112.6° |
| C27 | C26 | H6 | 123.9° | 122.2° |
| C5 | C6 | C7 | 113.0° | 109.5° |
| C5 | C6 | H22 | 108.6° | 109.5° |
| C5 | C6 | H23 | 108.6° | 109.5° |
| C21 | S1 | C20 | 89.4° | 91.6° |
| C27 | C28 | C16 | 120.7° | 120.5° |
| C28 | C27 | C20 | 118.2° | 118.7° |
| C27 | C28 | H11 | 119.7° | 119.8° |
| C28 | C16 | O4 | 122.8° | 119.7° |
| C28 | C16 | C17 | 120.3° | 120.5° |
| C16 | C28 | H11 | 119.6° | 119.7° |
| C27 | C20 | S1 | 111.6° | 109.6° |
| C27 | C20 | C19 | 121.5° | 120.0° |
| C6 | C7 | C8 | 113.2° | 109.5° |
| C7 | C6 | H22 | 108.6° | 109.4° |
| C7 | C6 | H23 | 108.6° | 109.5° |
| C6 | C7 | H24 | 108.6° | 109.4° |
| C6 | C7 | H25 | 108.5° | 109.5° |
| O4 | C16 | C17 | 116.8° | 119.7° |
| C16 | C17 | C19 | 119.9° | 120.1° |
| C16 | C17 | O5 | 115.3° | 120.0° |
| S1 | C20 | C19 | 126.8° | 130.4° |
| C20 | C19 | C17 | 119.4° | 120.2° |
| C20 | C19 | H7 | 120.3° | 119.9° |
| C7 | C8 | O3 | 117.7° | 120.0° |
| C7 | C8 | O2 | 117.9° | 120.0° |
| C8 | C7 | H24 | 108.5° | 109.5° |
| C8 | C7 | H25 | 108.5° | 109.5° |
| C19 | C17 | O5 | 124.8° | 120.0° |
| C17 | C19 | H7 | 120.3° | 119.9° |
| C17 | O5 | C18 | 117.8° | 117.0° |
| O5 | C18 | H8 | 109.5° | 109.4° |
| O5 | C18 | H9 | 109.5° | 109.4° |
| O5 | C18 | H10 | 109.5° | 109.5° |
| O3 | C8 | O2 | 124.4° | 120.0° |
| C8 | O2 | H26 | 109.5° | 116.9° |
| H2 | C24 | H3 | 109.5° | 109.5° |
| H4 | C23 | H5 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.5° |
| H16 | C1 | H18 | 109.4° | 109.4° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H22 | C6 | H23 | 109.5° | 109.5° |
| H24 | C7 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C25 | O8 | C24 | 178.5° | 179.9° |
| O7 | C25 | C24 | C23 | 151.9° | 0.1° |
| O7 | C25 | O8 | H1 | 0.0° | 0.1° |
| O7 | C25 | C24 | H2 | 31.4° | 120.0° |
| O7 | C25 | C24 | H3 | 87.5° | 120.0° |
| C1 | O | C | C2 | 2.0° | 0.1° |
| C1 | O | C | C12 | 179.1° | 180.0° |
| O | C1 | H16 | H17 | 120.0° | 120.0° |
| O | C1 | H16 | H18 | 120.0° | 120.0° |
| O | C1 | H17 | H18 | 120.0° | 120.0° |
| O8 | C25 | C24 | C23 | 26.7° | 180.0° |
| O8 | C25 | C24 | H2 | 147.2° | 60.1° |
| O8 | C25 | C24 | H3 | 93.9° | 60.0° |
| C25 | C24 | C23 | H2 | 120.5° | 120.0° |
| C25 | C24 | C23 | H3 | 120.6° | 120.0° |
| C25 | C24 | C23 | C22 | 63.3° | 180.0° |
| C24 | C25 | O8 | H1 | 178.5° | 180.0° |
| C25 | C24 | H2 | H3 | 118.4° | 120.1° |
| C25 | C24 | C23 | H4 | 176.2° | 60.1° |
| C25 | C24 | C23 | H5 | 57.3° | 60.0° |
| O | C | C2 | C12 | 178.8° | 179.9° |
| O | C | C2 | C3 | 177.4° | 180.0° |
| O | C | C12 | C13 | 10.8° | 0.0° |
| O | C | C12 | C11 | 176.7° | 179.7° |
| C | O | C1 | H16 | 180.0° | 180.0° |
| C | O | C1 | H17 | 60.0° | 60.0° |
| C | O | C1 | H18 | 60.0° | 60.0° |
| O | C | C2 | H20 | 2.6° | 0.1° |
| C24 | C23 | C22 | H4 | 120.6° | 120.0° |
| C24 | C23 | C22 | H5 | 120.5° | 120.0° |
| C24 | C23 | C22 | O6 | 54.7° | 0.0° |
| C24 | C23 | C22 | C21 | 127.8° | 179.9° |
| C23 | C24 | H2 | H3 | 118.3° | 120.0° |
| C24 | C23 | H4 | H5 | 118.3° | 120.0° |
| C | C2 | C3 | H20 | 180.0° | 179.9° |
| C | C2 | C3 | S | 179.5° | 180.0° |
| C | C2 | C3 | C10 | 0.5° | 0.4° |
| C2 | C | C12 | C13 | 170.3° | 179.9° |
| C2 | C | C12 | C11 | 2.2° | 0.2° |
| C3 | C2 | C | C12 | 1.4° | 0.1° |
| C2 | C3 | S | C10 | 179.9° | 179.6° |
| C2 | C3 | S | C4 | 176.8° | 179.6° |
| C2 | C3 | C10 | C11 | 1.5° | 0.4° |
| C2 | C3 | C10 | C9 | 179.2° | 179.7° |
| C | C12 | C13 | C11 | 172.6° | 179.7° |
| C | C12 | C13 | C14 | 70.7° | 140.7° |
| C | C12 | C11 | C10 | 1.2° | 0.2° |
| C | C12 | C13 | H15 | 109.2° | 39.3° |
| C | C12 | C11 | H19 | 178.8° | 179.7° |
| C12 | C | C2 | H20 | 178.6° | 180.0° |
| S | C3 | C10 | C11 | 178.4° | 180.0° |
| S | C3 | C10 | C9 | 0.9° | 0.1° |
| C3 | S | C4 | C5 | 178.6° | 180.0° |
| C3 | S | C4 | C9 | 5.3° | 0.0° |
| S | C3 | C2 | H20 | 0.5° | 0.1° |
| C4 | S | C3 | C10 | 3.3° | 0.0° |
| S | C4 | C9 | C10 | 5.8° | 0.1° |
| S | C4 | C5 | O1 | 10.4° | 179.9° |
| S | C4 | C5 | C9 | 171.9° | 180.0° |
| S | C4 | C5 | C6 | 166.7° | 0.0° |
| S | C4 | C9 | H21 | 174.2° | 180.0° |
| C3 | C10 | C11 | C12 | 0.6° | 0.1° |
| C3 | C10 | C11 | C9 | 179.2° | 179.9° |
| C3 | C10 | C9 | C4 | 3.1° | 0.1° |
| C3 | C10 | C11 | H19 | 179.4° | 180.0° |
| C10 | C3 | C2 | H20 | 179.6° | 179.7° |
| C3 | C10 | C9 | H21 | 176.9° | 180.0° |
| C23 | C22 | O6 | C21 | 177.4° | 179.9° |
| C23 | C22 | C21 | C26 | 5.1° | 179.8° |
| C23 | C22 | C21 | S1 | 163.0° | 0.1° |
| C22 | C23 | C24 | H2 | 57.3° | 60.0° |
| C22 | C23 | C24 | H3 | 176.2° | 60.0° |
| C22 | C23 | H4 | H5 | 118.3° | 120.0° |
| C12 | C13 | C14 | H15 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 171.7° | 179.9° |
| C12 | C13 | C14 | C15 | 11.6° | 7.1° |
| C12 | C13 | C14 | H14 | 168.4° | 172.9° |
| C13 | C12 | C11 | H19 | 8.3° | 0.0° |
| C11 | C12 | C13 | C14 | 116.7° | 39.0° |
| C12 | C11 | C10 | H19 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 179.8° | 179.9° |
| C11 | C12 | C13 | H15 | 63.3° | 141.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | O4 | 91.4° | 135.8° |
| C13 | C14 | C15 | H12 | 28.0° | 15.8° |
| C13 | C14 | C15 | H13 | 149.1° | 104.2° |
| C11 | C10 | C9 | C4 | 177.7° | 180.0° |
| C11 | C10 | C9 | H21 | 2.3° | 0.1° |
| C10 | C9 | C4 | C5 | 177.5° | 180.0° |
| C10 | C9 | C4 | H21 | 180.0° | 179.9° |
| C9 | C10 | C11 | H19 | 0.2° | 0.1° |
| O1 | C5 | C4 | C6 | 177.1° | 179.9° |
| O1 | C5 | C4 | C9 | 177.7° | 0.0° |
| O1 | C5 | C6 | C7 | 67.5° | 0.0° |
| O1 | C5 | C6 | H22 | 172.0° | 119.9° |
| O1 | C5 | C6 | H23 | 53.0° | 120.1° |
| C4 | C5 | C6 | C7 | 115.4° | 180.0° |
| C5 | C4 | C9 | H21 | 2.5° | 0.1° |
| C4 | C5 | C6 | H22 | 5.1° | 60.0° |
| C4 | C5 | C6 | H23 | 124.0° | 60.0° |
| C9 | C4 | C5 | C6 | 5.2° | 180.0° |
| O6 | C22 | C21 | C26 | 177.4° | 0.3° |
| O6 | C22 | C21 | S1 | 14.5° | 180.0° |
| O6 | C22 | C23 | H4 | 65.9° | 120.0° |
| O6 | C22 | C23 | H5 | 175.2° | 120.0° |
| C22 | C21 | C26 | S1 | 168.1° | 179.7° |
| C22 | C21 | C26 | C27 | 174.5° | 179.9° |
| C22 | C21 | S1 | C20 | 177.3° | 179.9° |
| C21 | C22 | C23 | H4 | 111.7° | 60.0° |
| C21 | C22 | C23 | H5 | 7.2° | 60.1° |
| C22 | C21 | C26 | H6 | 5.5° | 0.0° |
| C14 | C15 | O4 | H12 | 119.4° | 120.0° |
| C14 | C15 | O4 | H13 | 119.4° | 120.0° |
| C14 | C15 | O4 | C16 | 116.5° | 180.0° |
| C14 | C15 | H12 | H13 | 121.6° | 120.0° |
| C15 | C14 | C13 | H15 | 168.4° | 173.0° |
| C15 | O4 | C16 | C28 | 45.2° | 0.0° |
| C15 | O4 | C16 | C17 | 131.0° | 179.4° |
| O4 | C15 | H12 | H13 | 121.7° | 120.0° |
| O4 | C15 | C14 | H14 | 88.5° | 44.2° |
| C21 | C26 | C27 | H6 | 180.0° | 179.9° |
| C21 | C26 | C27 | C28 | 172.1° | 180.0° |
| C21 | C26 | C27 | C20 | 1.8° | 0.1° |
| C26 | C21 | S1 | C20 | 7.1° | 0.2° |
| C27 | C26 | C21 | S1 | 6.4° | 0.2° |
| C26 | C27 | C28 | C20 | 173.5° | 179.9° |
| C26 | C27 | C28 | C16 | 170.9° | 179.7° |
| C26 | C27 | C20 | S1 | 3.6° | 0.1° |
| C26 | C27 | C20 | C19 | 173.2° | 179.9° |
| C26 | C27 | C28 | H11 | 9.1° | 0.1° |
| C5 | C6 | C7 | H22 | 120.5° | 120.0° |
| C5 | C6 | C7 | H23 | 120.5° | 120.0° |
| C5 | C6 | C7 | C8 | 49.2° | 180.0° |
| C5 | C6 | H22 | H23 | 118.4° | 120.0° |
| C5 | C6 | C7 | H24 | 169.8° | 60.0° |
| C5 | C6 | C7 | H25 | 71.3° | 60.0° |
| C21 | S1 | C20 | C27 | 5.8° | 0.2° |
| C21 | S1 | C20 | C19 | 170.8° | 180.0° |
| S1 | C21 | C26 | H6 | 173.7° | 179.7° |
| C27 | C28 | C16 | H11 | 180.0° | 179.6° |
| C27 | C28 | C16 | O4 | 174.5° | 180.0° |
| C27 | C28 | C16 | C17 | 1.6° | 0.6° |
| C28 | C27 | C20 | S1 | 178.2° | 179.8° |
| C28 | C27 | C20 | C19 | 1.4° | 0.0° |
| C28 | C27 | C26 | H6 | 7.9° | 0.0° |
| C16 | C28 | C27 | C20 | 2.6° | 0.5° |
| C28 | C16 | O4 | C17 | 176.2° | 179.4° |
| C28 | C16 | C17 | C19 | 0.7° | 0.4° |
| C28 | C16 | C17 | O5 | 179.6° | 179.6° |
| C27 | C20 | S1 | C19 | 176.6° | 179.8° |
| C27 | C20 | C19 | C17 | 0.9° | 0.2° |
| C20 | C27 | C26 | H6 | 178.3° | 179.9° |
| C27 | C20 | C19 | H7 | 179.2° | 179.8° |
| C20 | C27 | C28 | H11 | 177.4° | 179.9° |
| C6 | C7 | C8 | H24 | 120.6° | 120.0° |
| C6 | C7 | C8 | H25 | 120.6° | 120.1° |
| C6 | C7 | C8 | O3 | 54.0° | 0.0° |
| C6 | C7 | C8 | O2 | 125.0° | 180.0° |
| C7 | C6 | H22 | H23 | 118.4° | 120.0° |
| C6 | C7 | H24 | H25 | 118.3° | 120.0° |
| O4 | C16 | C17 | C19 | 177.0° | 179.8° |
| O4 | C16 | C17 | O5 | 3.3° | 0.2° |
| O4 | C16 | C28 | H11 | 5.5° | 0.4° |
| C16 | O4 | C15 | H12 | 2.9° | 60.0° |
| C16 | O4 | C15 | H13 | 124.0° | 60.0° |
| C16 | C17 | C19 | C20 | 1.9° | 0.1° |
| C16 | C17 | C19 | O5 | 179.6° | 179.9° |
| C16 | C17 | O5 | C18 | 174.9° | 179.9° |
| C16 | C17 | C19 | H7 | 178.1° | 180.0° |
| C17 | C16 | C28 | H11 | 178.4° | 179.8° |
| S1 | C20 | C19 | C17 | 175.4° | 180.0° |
| S1 | C20 | C19 | H7 | 4.5° | 0.0° |
| C20 | C19 | C17 | H7 | 180.0° | 180.0° |
| C20 | C19 | C17 | O5 | 178.4° | 180.0° |
| C7 | C8 | O3 | O2 | 178.9° | 180.0° |
| C8 | C7 | C6 | H22 | 71.3° | 60.0° |
| C8 | C7 | C6 | H23 | 169.7° | 59.9° |
| C8 | C7 | H24 | H25 | 118.3° | 120.0° |
| C7 | C8 | O2 | H26 | 178.9° | 180.0° |
| C19 | C17 | O5 | C18 | 5.5° | 0.0° |
| O5 | C17 | C19 | H7 | 1.6° | 0.0° |
| C17 | O5 | C18 | H8 | 180.0° | 180.0° |
| C17 | O5 | C18 | H9 | 60.0° | 60.0° |
| C17 | O5 | C18 | H10 | 60.0° | 60.0° |
| O5 | C18 | H8 | H9 | 120.0° | 120.0° |
| O5 | C18 | H8 | H10 | 120.0° | 120.0° |
| O5 | C18 | H9 | H10 | 120.0° | 120.0° |
| O3 | C8 | C7 | H24 | 66.5° | 120.0° |
| O3 | C8 | C7 | H25 | 174.6° | 120.0° |
| O3 | C8 | O2 | H26 | 0.0° | 0.0° |
| O2 | C8 | C7 | H24 | 114.5° | 60.0° |
| O2 | C8 | C7 | H25 | 4.4° | 60.0° |
| H2 | C24 | C23 | H4 | 63.3° | 180.0° |
| H2 | C24 | C23 | H5 | 177.8° | 60.0° |
| H3 | C24 | C23 | H4 | 55.6° | 60.0° |
| H3 | C24 | C23 | H5 | 63.3° | 180.0° |
| H8 | C18 | H9 | H10 | 120.0° | 120.1° |
| H12 | C15 | C14 | H14 | 152.0° | 164.2° |
| H13 | C15 | C14 | H14 | 30.9° | 75.8° |
| H14 | C14 | C13 | H15 | 11.7° | 7.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H22 | C6 | C7 | H24 | 49.3° | 180.0° |
| H22 | C6 | C7 | H25 | 168.2° | 60.0° |
| H23 | C6 | C7 | H24 | 69.7° | 60.0° |
| H23 | C6 | C7 | H25 | 49.2° | 180.0° |
