A1JA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C12 | doub | 1.21Å | 1.25Å | |
| C12 | O13 | sing | 1.34Å | 1.24Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C39 | O38 | sing | 1.43Å | 1.42Å | |
| O38 | C37 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | S34 | sing | 1.76Å | 1.73Å | Aromatic |
| C35 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| S34 | C26 | sing | 1.75Å | 1.74Å | Aromatic |
| C22 | S21 | sing | 1.76Å | 1.77Å | |
| C22 | C23 | doub | 1.37Å | 1.39Å | Aromatic |
| S21 | C20 | sing | 1.81Å | 1.80Å | |
| C10 | C8 | sing | 1.51Å | 1.50Å | |
| C24 | C23 | sing | 1.42Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.44Å | Aromatic |
| C26 | C25 | doub | 1.34Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.42Å | 1.46Å | |
| O28 | C27 | doub | 1.21Å | 1.22Å | |
| C8 | C7 | sing | 1.42Å | 1.46Å | |
| C8 | O9 | doub | 1.21Å | 1.22Å | |
| C15 | C7 | doub | 1.34Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C27 | C29 | sing | 1.51Å | 1.51Å | |
| C20 | S19 | sing | 1.81Å | 1.81Å | |
| C7 | S6 | sing | 1.75Å | 1.74Å | Aromatic |
| C17 | C16 | doub | 1.42Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C16 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| S19 | C18 | sing | 1.76Å | 1.77Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C18 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | S6 | sing | 1.76Å | 1.74Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.37Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| O32 | C31 | doub | 1.21Å | 1.24Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C31 | O33 | sing | 1.34Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | H14 | sing | 0.97Å | 0.95Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| O33 | H20 | sing | 0.97Å | 0.95Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C12 | O13 | 124.4° | 120.0° |
| O14 | C12 | C11 | 117.1° | 120.0° |
| O13 | C12 | C11 | 118.5° | 120.0° |
| C12 | O13 | H14 | 109.5° | 117.0° |
| C12 | C11 | C10 | 114.2° | 109.5° |
| C12 | C11 | H5 | 108.3° | 109.5° |
| C12 | C11 | H6 | 108.3° | 109.5° |
| C39 | O38 | C37 | 117.8° | 117.0° |
| O38 | C39 | H22 | 109.5° | 109.4° |
| O38 | C39 | H23 | 109.5° | 109.5° |
| O38 | C39 | H24 | 109.5° | 109.5° |
| O38 | C37 | C36 | 124.1° | 120.0° |
| O38 | C37 | C22 | 115.4° | 119.9° |
| C11 | C10 | C8 | 111.6° | 109.5° |
| C10 | C11 | H5 | 108.3° | 109.4° |
| C10 | C11 | H6 | 108.3° | 109.4° |
| C11 | C10 | H12 | 108.9° | 109.5° |
| C11 | C10 | H13 | 108.9° | 109.4° |
| C37 | C36 | C35 | 119.1° | 120.4° |
| C36 | C37 | C22 | 120.4° | 120.1° |
| C37 | C36 | H21 | 120.4° | 119.8° |
| C36 | C35 | S34 | 125.2° | 130.3° |
| C36 | C35 | C24 | 121.8° | 120.1° |
| C35 | C36 | H21 | 120.4° | 119.8° |
| C37 | C22 | S21 | 117.4° | 119.8° |
| C37 | C22 | C23 | 119.8° | 120.3° |
| S34 | C35 | C24 | 113.0° | 109.6° |
| C35 | S34 | C26 | 90.8° | 91.6° |
| C35 | C24 | C23 | 118.4° | 118.7° |
| C35 | C24 | C25 | 110.1° | 112.7° |
| S34 | C26 | C25 | 111.9° | 110.6° |
| S34 | C26 | C27 | 117.2° | 124.7° |
| S21 | C22 | C23 | 122.7° | 119.9° |
| C22 | S21 | C20 | 103.9° | 103.0° |
| C22 | C23 | C24 | 120.4° | 120.4° |
| C22 | C23 | H15 | 119.8° | 119.8° |
| S21 | C20 | S19 | 121.2° | 109.5° |
| S21 | C20 | H9 | 106.4° | 109.5° |
| S21 | C20 | H10 | 106.5° | 109.5° |
| C10 | C8 | C7 | 117.9° | 120.0° |
| C10 | C8 | O9 | 121.0° | 120.0° |
| C8 | C10 | H12 | 108.9° | 109.5° |
| C8 | C10 | H13 | 108.9° | 109.5° |
| C23 | C24 | C25 | 131.5° | 128.6° |
| C24 | C23 | H15 | 119.8° | 119.8° |
| C24 | C25 | C26 | 114.3° | 115.5° |
| C24 | C25 | H11 | 122.9° | 122.2° |
| C25 | C26 | C27 | 130.9° | 124.7° |
| C26 | C25 | H11 | 122.8° | 122.3° |
| C26 | C27 | O28 | 120.8° | 120.0° |
| C26 | C27 | C29 | 118.3° | 120.0° |
| O28 | C27 | C29 | 120.9° | 120.0° |
| C7 | C8 | O9 | 121.1° | 120.0° |
| C8 | C7 | C15 | 129.0° | 124.7° |
| C8 | C7 | S6 | 118.7° | 124.7° |
| C7 | C15 | C16 | 113.9° | 115.5° |
| C15 | C7 | S6 | 112.4° | 110.6° |
| C7 | C15 | H7 | 123.0° | 122.2° |
| C15 | C16 | C17 | 131.3° | 128.6° |
| C15 | C16 | C5 | 110.3° | 112.6° |
| C16 | C15 | H7 | 123.1° | 122.3° |
| C27 | C29 | C30 | 112.6° | 109.5° |
| C27 | C29 | H16 | 108.7° | 109.5° |
| C27 | C29 | H17 | 108.7° | 109.5° |
| C20 | S19 | C18 | 104.5° | 103.0° |
| S19 | C20 | H9 | 106.5° | 109.5° |
| S19 | C20 | H10 | 106.4° | 109.5° |
| C7 | S6 | C5 | 90.5° | 91.6° |
| C16 | C17 | C18 | 120.7° | 120.4° |
| C17 | C16 | C5 | 118.4° | 118.7° |
| C16 | C17 | H8 | 119.7° | 119.8° |
| C17 | C18 | S19 | 121.3° | 119.9° |
| C17 | C18 | C3 | 119.6° | 120.4° |
| C18 | C17 | H8 | 119.7° | 119.8° |
| C16 | C5 | S6 | 112.9° | 109.6° |
| C16 | C5 | C4 | 121.8° | 120.1° |
| S19 | C18 | C3 | 119.1° | 119.8° |
| C29 | C30 | C31 | 115.2° | 109.5° |
| C30 | C29 | H16 | 108.7° | 109.4° |
| C30 | C29 | H17 | 108.7° | 109.4° |
| C29 | C30 | H18 | 108.0° | 109.5° |
| C29 | C30 | H19 | 108.0° | 109.5° |
| C18 | C3 | C4 | 120.5° | 120.0° |
| C18 | C3 | O2 | 115.6° | 120.0° |
| S6 | C5 | C4 | 125.3° | 130.3° |
| C5 | C4 | C3 | 119.1° | 120.4° |
| C5 | C4 | H4 | 120.4° | 119.8° |
| C4 | C3 | O2 | 123.9° | 120.0° |
| C3 | C4 | H4 | 120.5° | 119.8° |
| C3 | O2 | C1 | 117.8° | 117.0° |
| C30 | C31 | O32 | 119.2° | 120.0° |
| C30 | C31 | O33 | 116.8° | 120.0° |
| C31 | C30 | H18 | 108.0° | 109.5° |
| C31 | C30 | H19 | 108.0° | 109.5° |
| O32 | C31 | O33 | 124.1° | 120.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| C31 | O33 | H20 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H18 | C30 | H19 | 109.5° | 109.4° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H22 | C39 | H24 | 109.5° | 109.5° |
| H23 | C39 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C12 | O13 | C11 | 178.8° | 180.0° |
| O14 | C12 | C11 | C10 | 146.0° | 0.0° |
| O14 | C12 | C11 | H5 | 93.3° | 120.0° |
| O14 | C12 | C11 | H6 | 25.3° | 120.0° |
| O14 | C12 | O13 | H14 | 0.0° | 0.0° |
| O13 | C12 | C11 | C10 | 35.1° | 180.0° |
| O13 | C12 | C11 | H5 | 85.6° | 60.0° |
| O13 | C12 | C11 | H6 | 155.8° | 60.1° |
| C12 | C11 | C10 | H5 | 120.7° | 120.0° |
| C12 | C11 | C10 | H6 | 120.7° | 120.0° |
| C12 | C11 | C10 | C8 | 105.2° | 180.0° |
| C12 | C11 | H5 | H6 | 117.8° | 120.1° |
| C12 | C11 | C10 | H12 | 134.4° | 60.0° |
| C12 | C11 | C10 | H13 | 15.1° | 60.0° |
| C11 | C12 | O13 | H14 | 178.8° | 180.0° |
| C39 | O38 | C37 | C36 | 16.7° | 0.0° |
| C39 | O38 | C37 | C22 | 161.4° | 179.9° |
| O38 | C39 | H22 | H23 | 120.0° | 120.0° |
| O38 | C39 | H22 | H24 | 120.0° | 120.0° |
| O38 | C39 | H23 | H24 | 120.0° | 120.1° |
| O38 | C37 | C36 | C22 | 178.0° | 179.9° |
| O38 | C37 | C36 | C35 | 177.9° | 179.9° |
| O38 | C37 | C22 | S21 | 2.5° | 0.1° |
| O38 | C37 | C22 | C23 | 178.1° | 179.7° |
| O38 | C37 | C36 | H21 | 2.1° | 0.1° |
| C37 | O38 | C39 | H22 | 180.0° | 60.0° |
| C37 | O38 | C39 | H23 | 60.0° | 60.0° |
| C37 | O38 | C39 | H24 | 60.0° | 180.0° |
| C11 | C10 | C8 | H12 | 120.3° | 120.0° |
| C11 | C10 | C8 | H13 | 120.3° | 120.0° |
| C11 | C10 | C8 | C7 | 108.6° | 180.0° |
| C11 | C10 | C8 | O9 | 70.4° | 0.0° |
| C10 | C11 | H5 | H6 | 117.9° | 119.9° |
| C11 | C10 | H12 | H13 | 119.0° | 120.0° |
| C37 | C36 | C35 | H21 | 180.0° | 179.9° |
| C37 | C36 | C35 | S34 | 177.7° | 180.0° |
| C37 | C36 | C35 | C24 | 0.1° | 0.4° |
| C36 | C37 | C22 | S21 | 179.4° | 180.0° |
| C36 | C37 | C22 | C23 | 0.0° | 0.2° |
| C35 | C36 | C37 | C22 | 0.1° | 0.1° |
| C36 | C35 | S34 | C24 | 178.0° | 179.6° |
| C36 | C35 | S34 | C26 | 177.9° | 179.6° |
| C36 | C35 | C24 | C23 | 0.0° | 0.3° |
| C36 | C35 | C24 | C25 | 178.0° | 179.7° |
| C37 | C22 | S21 | C23 | 179.4° | 179.8° |
| C37 | C22 | S21 | C20 | 111.4° | 179.7° |
| C37 | C22 | C23 | C24 | 0.1° | 0.3° |
| C37 | C22 | C23 | H15 | 179.9° | 179.8° |
| C22 | C37 | C36 | H21 | 179.9° | 180.0° |
| S34 | C35 | C24 | C23 | 178.0° | 180.0° |
| S34 | C35 | C24 | C25 | 0.0° | 0.0° |
| C35 | S34 | C26 | C25 | 0.1° | 0.0° |
| C35 | S34 | C26 | C27 | 178.9° | 180.0° |
| S34 | C35 | C36 | H21 | 2.3° | 0.2° |
| C24 | C35 | S34 | C26 | 0.1° | 0.0° |
| C35 | C24 | C23 | C22 | 0.1° | 0.0° |
| C35 | C24 | C23 | C25 | 177.6° | 180.0° |
| C35 | C24 | C25 | C26 | 0.1° | 0.0° |
| C35 | C24 | C25 | H11 | 179.9° | 180.0° |
| C35 | C24 | C23 | H15 | 179.9° | 180.0° |
| C24 | C35 | C36 | H21 | 179.9° | 179.7° |
| S34 | C26 | C25 | C24 | 0.1° | 0.0° |
| S34 | C26 | C25 | C27 | 178.9° | 180.0° |
| S34 | C26 | C27 | O28 | 3.4° | 180.0° |
| S34 | C26 | C27 | C29 | 175.7° | 0.1° |
| S34 | C26 | C25 | H11 | 179.9° | 180.0° |
| S21 | C22 | C23 | C24 | 179.4° | 179.9° |
| C22 | S21 | C20 | S19 | 67.8° | 75.0° |
| C22 | S21 | C20 | H9 | 170.5° | 45.0° |
| C22 | S21 | C20 | H10 | 53.8° | 164.9° |
| S21 | C22 | C23 | H15 | 0.6° | 0.0° |
| C23 | C22 | S21 | C20 | 69.2° | 0.0° |
| C22 | C23 | C24 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 177.5° | 180.0° |
| S21 | C20 | S19 | H9 | 121.6° | 120.0° |
| S21 | C20 | S19 | H10 | 121.6° | 120.0° |
| S21 | C20 | S19 | C18 | 74.5° | 75.0° |
| S21 | C20 | H9 | H10 | 114.7° | 120.0° |
| C10 | C8 | C7 | O9 | 179.1° | 180.0° |
| C10 | C8 | C7 | C15 | 9.5° | 179.9° |
| C10 | C8 | C7 | S6 | 170.6° | 0.0° |
| C8 | C10 | C11 | H5 | 15.5° | 60.0° |
| C8 | C10 | C11 | H6 | 134.1° | 60.0° |
| C8 | C10 | H12 | H13 | 119.0° | 120.0° |
| C23 | C24 | C25 | C26 | 177.6° | 180.0° |
| C23 | C24 | C25 | H11 | 2.4° | 0.0° |
| C24 | C25 | C26 | H11 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 178.7° | 180.0° |
| C25 | C24 | C23 | H15 | 2.5° | 0.0° |
| C25 | C26 | C27 | O28 | 177.8° | 0.0° |
| C25 | C26 | C27 | C29 | 3.1° | 180.0° |
| C26 | C27 | O28 | C29 | 179.1° | 180.0° |
| C26 | C27 | C29 | C30 | 110.4° | 180.0° |
| C27 | C26 | C25 | H11 | 1.3° | 0.1° |
| C26 | C27 | C29 | H16 | 10.0° | 60.0° |
| C26 | C27 | C29 | H17 | 129.1° | 60.0° |
| O28 | C27 | C29 | C30 | 68.7° | 0.0° |
| O28 | C27 | C29 | H16 | 170.9° | 120.0° |
| O28 | C27 | C29 | H17 | 51.8° | 120.0° |
| C8 | C7 | C15 | S6 | 179.8° | 179.9° |
| C8 | C7 | C15 | C16 | 179.9° | 180.0° |
| C8 | C7 | S6 | C5 | 179.8° | 179.9° |
| C8 | C7 | C15 | H7 | 0.1° | 0.1° |
| C7 | C8 | C10 | H12 | 131.0° | 60.0° |
| C7 | C8 | C10 | H13 | 11.7° | 60.0° |
| O9 | C8 | C7 | C15 | 171.4° | 0.1° |
| O9 | C8 | C7 | S6 | 8.4° | 180.0° |
| O9 | C8 | C10 | H12 | 49.9° | 120.0° |
| O9 | C8 | C10 | H13 | 169.3° | 120.0° |
| C7 | C15 | C16 | H7 | 180.0° | 180.0° |
| C7 | C15 | C16 | C17 | 179.4° | 180.0° |
| C7 | C15 | C16 | C5 | 0.1° | 0.0° |
| C15 | C7 | S6 | C5 | 0.0° | 0.0° |
| C16 | C15 | C7 | S6 | 0.0° | 0.0° |
| C15 | C16 | C17 | C5 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 179.5° | 179.1° |
| C15 | C16 | C5 | S6 | 0.1° | 0.0° |
| C15 | C16 | C5 | C4 | 179.7° | 179.4° |
| C15 | C16 | C17 | H8 | 0.4° | 0.0° |
| C27 | C29 | C30 | H16 | 120.5° | 120.0° |
| C27 | C29 | C30 | H17 | 120.5° | 120.1° |
| C27 | C29 | C30 | C31 | 74.0° | 180.0° |
| C27 | C29 | H16 | H17 | 118.5° | 120.1° |
| C27 | C29 | C30 | H18 | 165.2° | 60.0° |
| C27 | C29 | C30 | H19 | 46.8° | 60.0° |
| C20 | S19 | C18 | C17 | 117.0° | 0.0° |
| C20 | S19 | C18 | C3 | 60.6° | 180.0° |
| S19 | C20 | H9 | H10 | 114.7° | 120.0° |
| C7 | S6 | C5 | C16 | 0.1° | 0.0° |
| C7 | S6 | C5 | C4 | 179.7° | 179.4° |
| S6 | C7 | C15 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | H8 | 180.0° | 179.2° |
| C16 | C17 | C18 | S19 | 177.5° | 179.4° |
| C16 | C17 | C18 | C3 | 0.0° | 0.6° |
| C17 | C16 | C5 | S6 | 179.5° | 180.0° |
| C17 | C16 | C5 | C4 | 0.1° | 0.5° |
| C17 | C16 | C15 | H7 | 0.6° | 0.0° |
| C18 | C17 | C16 | C5 | 0.1° | 0.8° |
| C17 | C18 | S19 | C3 | 177.5° | 180.0° |
| C17 | C18 | C3 | C4 | 0.0° | 0.0° |
| C17 | C18 | C3 | O2 | 179.1° | 179.7° |
| C16 | C5 | S6 | C4 | 179.6° | 179.4° |
| C16 | C5 | C4 | C3 | 0.1° | 0.1° |
| C16 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C16 | C15 | H7 | 179.9° | 180.0° |
| C5 | C16 | C17 | H8 | 179.9° | 180.0° |
| S19 | C18 | C3 | C4 | 177.6° | 180.0° |
| S19 | C18 | C3 | O2 | 1.5° | 0.3° |
| S19 | C18 | C17 | H8 | 2.4° | 0.3° |
| C18 | S19 | C20 | H9 | 163.9° | 165.0° |
| C18 | S19 | C20 | H10 | 47.1° | 45.0° |
| C29 | C30 | C31 | H18 | 120.8° | 120.1° |
| C29 | C30 | C31 | H19 | 120.8° | 120.0° |
| C29 | C30 | C31 | O32 | 1.5° | 0.1° |
| C29 | C30 | C31 | O33 | 178.2° | 180.0° |
| C30 | C29 | H16 | H17 | 118.6° | 119.9° |
| C29 | C30 | H18 | H19 | 117.4° | 120.0° |
| C18 | C3 | C4 | C5 | 0.0° | 0.3° |
| C18 | C3 | C4 | O2 | 179.0° | 179.7° |
| C18 | C3 | O2 | C1 | 168.4° | 179.7° |
| C18 | C3 | C4 | H4 | 180.0° | 179.7° |
| C3 | C18 | C17 | H8 | 180.0° | 179.7° |
| S6 | C5 | C4 | C3 | 179.4° | 179.3° |
| S6 | C5 | C4 | H4 | 0.6° | 0.6° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | O2 | 179.0° | 180.0° |
| C4 | C3 | O2 | C1 | 10.7° | 0.0° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 180.0° |
| C3 | O2 | C1 | H3 | 60.0° | 60.0° |
| O2 | C3 | C4 | H4 | 1.0° | 0.0° |
| C30 | C31 | O32 | O33 | 179.7° | 179.9° |
| C31 | C30 | C29 | H16 | 46.5° | 60.0° |
| C31 | C30 | C29 | H17 | 165.6° | 59.9° |
| C31 | C30 | H18 | H19 | 117.4° | 120.0° |
| C30 | C31 | O33 | H20 | 179.7° | 180.0° |
| O32 | C31 | C30 | H18 | 119.3° | 120.1° |
| O32 | C31 | C30 | H19 | 122.3° | 120.0° |
| O32 | C31 | O33 | H20 | 0.0° | 0.1° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O33 | C31 | C30 | H18 | 61.0° | 60.0° |
| O33 | C31 | C30 | H19 | 57.4° | 59.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C11 | C10 | H12 | 104.9° | 60.0° |
| H5 | C11 | C10 | H13 | 135.8° | 180.0° |
| H6 | C11 | C10 | H12 | 13.7° | 180.0° |
| H6 | C11 | C10 | H13 | 105.6° | 60.0° |
| H16 | C29 | C30 | H18 | 74.3° | 180.0° |
| H16 | C29 | C30 | H19 | 167.3° | 60.0° |
| H17 | C29 | C30 | H18 | 44.7° | 60.1° |
| H17 | C29 | C30 | H19 | 73.6° | 180.0° |
| H22 | C39 | H23 | H24 | 120.0° | 120.0° |
