8D0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C18 | C21 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C25 | N1 | sing | 1.46Å | 1.44Å | |
| C17 | C20 | sing | 1.53Å | 1.55Å | |
| C17 | C2 | sing | 1.51Å | 1.54Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| O3 | C4 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| O2 | C14 | sing | 1.43Å | 1.41Å | |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.50Å | 1.53Å | |
| C10 | C7 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C6 | O1 | sing | 1.36Å | 1.38Å | |
| C14 | C11 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C9 | C15 | sing | 1.53Å | 1.54Å | |
| C9 | C16 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å | |
| O2 | H41 | sing | 0.97Å | 0.95Å | |
| O3 | H42 | sing | 0.97Å | 0.95Å | |
| N1 | C26 | doub | 1.25Å | 348.71Å | |
| C26 | S1 | doub | 1.55Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 112.3° | 109.5° |
| C23 | C24 | C25 | 113.1° | 109.4° |
| C24 | C23 | H33 | 108.7° | 109.5° |
| C24 | C23 | H34 | 108.8° | 109.5° |
| C23 | C24 | H35 | 108.6° | 109.5° |
| C23 | C24 | H36 | 108.6° | 109.5° |
| C23 | C22 | C21 | 112.5° | 109.5° |
| C23 | C22 | H31 | 108.7° | 109.5° |
| C23 | C22 | H32 | 108.7° | 109.5° |
| C22 | C23 | H33 | 108.8° | 109.5° |
| C22 | C23 | H34 | 108.8° | 109.4° |
| C24 | C25 | N1 | 111.0° | 109.5° |
| C25 | C24 | H35 | 108.5° | 109.5° |
| C25 | C24 | H36 | 108.5° | 109.5° |
| C24 | C25 | H37 | 109.1° | 109.5° |
| C24 | C25 | H38 | 109.1° | 109.5° |
| C19 | C17 | C18 | 108.6° | 109.5° |
| C19 | C17 | C20 | 106.6° | 109.4° |
| C19 | C17 | C2 | 112.2° | 109.5° |
| C17 | C19 | H23 | 109.5° | 109.4° |
| C17 | C19 | H24 | 109.5° | 109.5° |
| C17 | C19 | H25 | 109.4° | 109.5° |
| C22 | C21 | C18 | 113.1° | 109.5° |
| C22 | C21 | H29 | 108.5° | 109.5° |
| C22 | C21 | H30 | 108.5° | 109.4° |
| C21 | C22 | H31 | 108.7° | 109.5° |
| C21 | C22 | H32 | 108.7° | 109.4° |
| C21 | C18 | C17 | 115.9° | 109.5° |
| C21 | C18 | H21 | 107.8° | 109.5° |
| C21 | C18 | H22 | 107.8° | 109.4° |
| C18 | C21 | H29 | 108.5° | 109.5° |
| C18 | C21 | H30 | 108.6° | 109.5° |
| C18 | C17 | C20 | 109.4° | 109.5° |
| C18 | C17 | C2 | 110.3° | 109.5° |
| C17 | C18 | H21 | 107.8° | 109.5° |
| C17 | C18 | H22 | 107.8° | 109.5° |
| N1 | C25 | H37 | 109.1° | 109.5° |
| N1 | C25 | H38 | 109.1° | 109.5° |
| C25 | N1 | C26 | 73.5° | 120.0° |
| C20 | C17 | C2 | 109.5° | 109.5° |
| C17 | C20 | H26 | 109.5° | 109.4° |
| C17 | C20 | H27 | 109.5° | 109.5° |
| C17 | C20 | H28 | 109.5° | 109.5° |
| C17 | C2 | C3 | 119.0° | 120.0° |
| C17 | C2 | C1 | 122.8° | 119.9° |
| C2 | C3 | C4 | 121.4° | 119.8° |
| C3 | C2 | C1 | 118.2° | 120.1° |
| C2 | C3 | H2 | 119.3° | 120.1° |
| C3 | C4 | O3 | 116.5° | 119.9° |
| C3 | C4 | C5 | 120.3° | 120.2° |
| C4 | C3 | H2 | 119.3° | 120.1° |
| O3 | C4 | C5 | 123.2° | 119.9° |
| C4 | O3 | H42 | 109.5° | 114.0° |
| C2 | C1 | C6 | 121.3° | 120.4° |
| C2 | C1 | H1 | 119.3° | 119.8° |
| C4 | C5 | C6 | 118.4° | 119.9° |
| C4 | C5 | C7 | 123.2° | 119.6° |
| O2 | C14 | C11 | 109.6° | 109.4° |
| O2 | C14 | H13 | 109.5° | 109.5° |
| O2 | C14 | H14 | 109.5° | 109.5° |
| C14 | O2 | H41 | 109.5° | 114.0° |
| C1 | C6 | C5 | 120.4° | 119.5° |
| C1 | C6 | O1 | 115.9° | 118.4° |
| C6 | C1 | H1 | 119.4° | 119.8° |
| C6 | C5 | C7 | 118.4° | 120.5° |
| C5 | C6 | O1 | 123.7° | 122.1° |
| C5 | C7 | C10 | 114.0° | 112.1° |
| C5 | C7 | C8 | 111.7° | 109.3° |
| C5 | C7 | H39 | 108.5° | 109.0° |
| C7 | C10 | C11 | 113.7° | 108.7° |
| C10 | C7 | C8 | 106.0° | 108.9° |
| C7 | C10 | H6 | 108.4° | 109.6° |
| C7 | C10 | H7 | 108.4° | 109.6° |
| C10 | C7 | H39 | 108.2° | 109.0° |
| C10 | C11 | C14 | 109.4° | 109.4° |
| C10 | C11 | C12 | 111.1° | 110.2° |
| C11 | C10 | H6 | 108.4° | 109.6° |
| C11 | C10 | H7 | 108.4° | 109.6° |
| C10 | C11 | H8 | 107.9° | 109.3° |
| C6 | O1 | C9 | 119.5° | 118.9° |
| C14 | C11 | C12 | 112.6° | 109.4° |
| C14 | C11 | H8 | 107.9° | 109.3° |
| C11 | C14 | H13 | 109.4° | 109.5° |
| C11 | C14 | H14 | 109.4° | 109.5° |
| C7 | C8 | C9 | 113.5° | 108.2° |
| C7 | C8 | C13 | 110.0° | 108.8° |
| C8 | C7 | H39 | 108.2° | 108.5° |
| C7 | C8 | H40 | 105.3° | 109.4° |
| C11 | C12 | C13 | 111.5° | 110.2° |
| C12 | C11 | H8 | 107.8° | 109.3° |
| C11 | C12 | H9 | 108.9° | 109.4° |
| C11 | C12 | H10 | 109.0° | 109.4° |
| O1 | C9 | C8 | 107.0° | 108.2° |
| O1 | C9 | C15 | 105.3° | 109.5° |
| O1 | C9 | C16 | 108.8° | 109.9° |
| C9 | C8 | C13 | 116.3° | 111.7° |
| C8 | C9 | C15 | 112.7° | 109.7° |
| C8 | C9 | C16 | 113.9° | 109.8° |
| C9 | C8 | H40 | 105.3° | 109.4° |
| C8 | C13 | C12 | 109.0° | 108.6° |
| C8 | C13 | H11 | 109.6° | 109.6° |
| C8 | C13 | H12 | 109.6° | 109.8° |
| C13 | C8 | H40 | 105.4° | 109.3° |
| C13 | C12 | H9 | 108.9° | 109.4° |
| C13 | C12 | H10 | 109.0° | 109.4° |
| C12 | C13 | H11 | 109.6° | 109.6° |
| C12 | C13 | H12 | 109.6° | 109.6° |
| C15 | C9 | C16 | 108.8° | 109.7° |
| C9 | C15 | H15 | 109.5° | 109.5° |
| C9 | C15 | H16 | 109.5° | 109.5° |
| C9 | C15 | H17 | 109.5° | 109.5° |
| C9 | C16 | H18 | 109.5° | 109.5° |
| C9 | C16 | H19 | 109.4° | 109.5° |
| C9 | C16 | H20 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.7° |
| H9 | C12 | H10 | 109.5° | 109.1° |
| H11 | C13 | H12 | 109.5° | 109.6° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H20 | 109.4° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H28 | 109.4° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.4° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.5° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| N1 | C26 | S1 | 90.0° | 179.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H33 | 120.4° | 120.0° |
| C24 | C23 | C22 | H34 | 120.5° | 120.0° |
| C23 | C24 | C25 | H35 | 120.5° | 120.0° |
| C23 | C24 | C25 | H36 | 120.5° | 120.0° |
| C24 | C23 | C22 | C21 | 132.6° | 180.0° |
| C23 | C24 | C25 | N1 | 157.1° | 180.0° |
| C24 | C23 | C22 | H31 | 106.9° | 60.0° |
| C24 | C23 | C22 | H32 | 12.2° | 60.0° |
| C24 | C23 | H33 | H34 | 118.7° | 120.0° |
| C23 | C24 | H35 | H36 | 118.4° | 120.0° |
| C23 | C24 | C25 | H37 | 82.7° | 60.0° |
| C23 | C24 | C25 | H38 | 36.8° | 60.0° |
| C22 | C23 | C24 | C25 | 65.0° | 180.0° |
| C23 | C22 | C21 | H31 | 120.5° | 120.0° |
| C23 | C22 | C21 | H32 | 120.5° | 120.0° |
| C23 | C22 | C21 | C18 | 75.4° | 180.0° |
| C23 | C22 | C21 | H29 | 164.0° | 60.0° |
| C23 | C22 | C21 | H30 | 45.1° | 60.0° |
| C23 | C22 | H31 | H32 | 118.7° | 120.0° |
| C22 | C23 | H33 | H34 | 118.7° | 119.9° |
| C22 | C23 | C24 | H35 | 55.5° | 60.0° |
| C22 | C23 | C24 | H36 | 174.5° | 60.0° |
| C24 | C25 | N1 | H37 | 120.2° | 120.0° |
| C24 | C25 | N1 | H38 | 120.2° | 120.0° |
| C25 | C24 | C23 | H33 | 55.5° | 60.0° |
| C25 | C24 | C23 | H34 | 174.6° | 60.0° |
| C25 | C24 | H35 | H36 | 118.3° | 120.0° |
| C24 | C25 | H37 | H38 | 119.3° | 120.0° |
| C24 | C25 | N1 | C26 | 1.9° | 120.0° |
| C19 | C17 | C18 | C21 | 173.5° | 60.0° |
| C19 | C17 | C18 | C20 | 116.0° | 120.0° |
| C19 | C17 | C18 | C2 | 123.4° | 120.0° |
| C19 | C17 | C20 | C2 | 121.7° | 120.0° |
| C19 | C17 | C2 | C3 | 31.5° | 120.0° |
| C19 | C17 | C2 | C1 | 148.1° | 60.0° |
| C19 | C17 | C18 | H21 | 65.6° | 180.0° |
| C19 | C17 | C18 | H22 | 52.5° | 60.0° |
| C17 | C19 | H23 | H24 | 120.0° | 120.0° |
| C17 | C19 | H23 | H25 | 120.0° | 120.0° |
| C17 | C19 | H24 | H25 | 119.9° | 120.0° |
| C19 | C17 | C20 | H26 | 180.0° | 180.0° |
| C19 | C17 | C20 | H27 | 60.0° | 60.0° |
| C19 | C17 | C20 | H28 | 60.0° | 60.0° |
| C22 | C21 | C18 | H29 | 120.5° | 120.0° |
| C22 | C21 | C18 | H30 | 120.5° | 119.9° |
| C22 | C21 | C18 | C17 | 151.6° | 180.0° |
| C22 | C21 | C18 | H21 | 87.5° | 60.0° |
| C22 | C21 | C18 | H22 | 30.6° | 60.0° |
| C22 | C21 | H29 | H30 | 118.3° | 119.9° |
| C21 | C22 | H31 | H32 | 118.6° | 120.0° |
| C21 | C22 | C23 | H33 | 12.1° | 60.0° |
| C21 | C22 | C23 | H34 | 107.0° | 60.0° |
| C21 | C18 | C17 | H21 | 120.9° | 120.0° |
| C21 | C18 | C17 | H22 | 120.9° | 120.0° |
| C21 | C18 | C17 | C20 | 57.4° | 60.0° |
| C21 | C18 | C17 | C2 | 63.1° | 180.0° |
| C21 | C18 | H21 | H22 | 117.1° | 120.0° |
| C18 | C21 | H29 | H30 | 118.4° | 120.0° |
| C18 | C21 | C22 | H31 | 45.0° | 60.0° |
| C18 | C21 | C22 | H32 | 164.1° | 60.0° |
| C18 | C17 | C20 | C2 | 121.1° | 120.0° |
| C18 | C17 | C2 | C3 | 89.8° | 0.0° |
| C18 | C17 | C2 | C1 | 90.6° | 180.0° |
| C17 | C18 | H21 | H22 | 117.1° | 120.0° |
| C18 | C17 | C19 | H23 | 180.0° | 60.0° |
| C18 | C17 | C19 | H24 | 60.0° | 60.0° |
| C18 | C17 | C19 | H25 | 60.0° | 179.9° |
| C18 | C17 | C20 | H26 | 62.7° | 60.0° |
| C18 | C17 | C20 | H27 | 177.2° | 60.0° |
| C18 | C17 | C20 | H28 | 57.2° | 180.0° |
| C17 | C18 | C21 | H29 | 31.1° | 60.0° |
| C17 | C18 | C21 | H30 | 87.9° | 60.1° |
| N1 | C25 | C24 | H35 | 36.5° | 60.0° |
| N1 | C25 | C24 | H36 | 82.4° | 60.0° |
| N1 | C25 | H37 | H38 | 119.3° | 120.0° |
| C25 | N1 | C26 | S1 | 90.0° | 91.7° |
| C20 | C17 | C2 | C3 | 149.7° | 120.0° |
| C20 | C17 | C2 | C1 | 29.9° | 59.9° |
| C20 | C17 | C18 | H21 | 178.4° | 60.0° |
| C20 | C17 | C18 | H22 | 63.5° | 180.0° |
| C20 | C17 | C19 | H23 | 62.2° | 60.0° |
| C20 | C17 | C19 | H24 | 177.8° | 180.0° |
| C20 | C17 | C19 | H25 | 57.8° | 60.0° |
| C17 | C20 | H26 | H27 | 120.0° | 120.0° |
| C17 | C20 | H26 | H28 | 120.0° | 120.0° |
| C17 | C20 | H27 | H28 | 120.0° | 120.0° |
| C17 | C2 | C3 | C1 | 179.6° | 180.0° |
| C17 | C2 | C3 | C4 | 179.9° | 179.8° |
| C17 | C2 | C1 | C6 | 180.0° | 180.0° |
| C17 | C2 | C1 | H1 | 0.0° | 0.2° |
| C17 | C2 | C3 | H2 | 0.1° | 0.2° |
| C2 | C17 | C18 | H21 | 57.8° | 60.0° |
| C2 | C17 | C18 | H22 | 175.9° | 60.0° |
| C2 | C17 | C19 | H23 | 57.7° | 180.0° |
| C2 | C17 | C19 | H24 | 62.3° | 60.0° |
| C2 | C17 | C19 | H25 | 177.8° | 60.0° |
| C2 | C17 | C20 | H26 | 58.3° | 60.0° |
| C2 | C17 | C20 | H27 | 61.7° | 180.0° |
| C2 | C17 | C20 | H28 | 178.3° | 60.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | O3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C1 | C6 | 0.4° | 0.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.8° |
| C3 | C4 | O3 | C5 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.2° |
| C3 | C4 | C5 | C6 | 0.3° | 0.4° |
| C3 | C4 | C5 | C7 | 179.5° | 179.1° |
| C3 | C4 | O3 | H42 | 180.0° | 90.0° |
| O3 | C4 | C5 | C6 | 180.0° | 179.5° |
| O3 | C4 | C5 | C7 | 0.8° | 0.9° |
| O3 | C4 | C3 | H2 | 0.0° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.5° | 0.4° |
| C2 | C1 | C6 | O1 | 179.9° | 179.3° |
| C1 | C2 | C3 | H2 | 179.7° | 179.8° |
| C4 | C5 | C6 | C1 | 0.4° | 0.6° |
| C4 | C5 | C6 | C7 | 179.2° | 179.6° |
| C4 | C5 | C7 | C10 | 48.8° | 37.5° |
| C4 | C5 | C6 | O1 | 180.0° | 179.1° |
| C4 | C5 | C7 | C8 | 169.0° | 158.4° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | C5 | C7 | H39 | 71.8° | 83.2° |
| C5 | C4 | O3 | H42 | 0.3° | 90.0° |
| O2 | C14 | C11 | C10 | 20.1° | 175.0° |
| O2 | C14 | C11 | H13 | 120.0° | 120.0° |
| O2 | C14 | C11 | H14 | 120.0° | 120.0° |
| O2 | C14 | C11 | C12 | 144.2° | 64.3° |
| O2 | C14 | C11 | H8 | 97.0° | 55.4° |
| O2 | C14 | H13 | H14 | 120.0° | 120.0° |
| C1 | C6 | C5 | O1 | 179.6° | 179.7° |
| C1 | C6 | C5 | C7 | 179.6° | 178.9° |
| C1 | C6 | O1 | C9 | 158.9° | 166.5° |
| C6 | C5 | C7 | C10 | 130.4° | 142.9° |
| C6 | C5 | C7 | C8 | 10.2° | 22.1° |
| C5 | C6 | O1 | C9 | 20.7° | 13.8° |
| C5 | C6 | C1 | H1 | 179.5° | 179.4° |
| C6 | C5 | C7 | H39 | 109.0° | 96.3° |
| C5 | C7 | C10 | C8 | 123.3° | 121.0° |
| C5 | C7 | C10 | H39 | 120.8° | 120.7° |
| C5 | C7 | C10 | C11 | 178.9° | 177.5° |
| C7 | C5 | C6 | O1 | 0.8° | 1.4° |
| C5 | C7 | C8 | H39 | 119.3° | 118.7° |
| C5 | C7 | C8 | C9 | 39.9° | 52.2° |
| C5 | C7 | C8 | C13 | 172.2° | 173.8° |
| C5 | C7 | C10 | H6 | 60.5° | 57.7° |
| C5 | C7 | C10 | H7 | 58.2° | 62.8° |
| C5 | C7 | C8 | H40 | 74.7° | 66.8° |
| C7 | C10 | C11 | H6 | 120.6° | 119.8° |
| C7 | C10 | C11 | H7 | 120.6° | 119.7° |
| C7 | C10 | C11 | C14 | 177.9° | 179.3° |
| C10 | C7 | C8 | H39 | 115.9° | 118.6° |
| C7 | C10 | C11 | C12 | 53.0° | 59.0° |
| C10 | C7 | C8 | C9 | 164.7° | 174.9° |
| C10 | C7 | C8 | C13 | 63.0° | 63.5° |
| C7 | C10 | H6 | H7 | 118.1° | 120.4° |
| C7 | C10 | C11 | H8 | 65.0° | 61.1° |
| C10 | C7 | C8 | H40 | 50.1° | 55.9° |
| C10 | C11 | C14 | C12 | 124.1° | 120.7° |
| C10 | C11 | C14 | H8 | 117.1° | 119.6° |
| C11 | C10 | C7 | C8 | 57.8° | 61.5° |
| C10 | C11 | C12 | H8 | 118.0° | 120.1° |
| C10 | C11 | C12 | C13 | 51.2° | 58.3° |
| C11 | C10 | H6 | H7 | 118.1° | 120.4° |
| C10 | C11 | C12 | H9 | 69.1° | 62.0° |
| C10 | C11 | C12 | H10 | 171.5° | 178.5° |
| C10 | C11 | C14 | H13 | 99.9° | 65.1° |
| C10 | C11 | C14 | H14 | 140.2° | 55.0° |
| C11 | C10 | C7 | H39 | 58.1° | 56.7° |
| C6 | O1 | C9 | C8 | 48.4° | 45.2° |
| C6 | O1 | C9 | C15 | 71.7° | 74.4° |
| C6 | O1 | C9 | C16 | 171.9° | 165.0° |
| O1 | C6 | C1 | H1 | 0.1° | 0.9° |
| C14 | C11 | C12 | H8 | 118.9° | 119.6° |
| C14 | C11 | C12 | C13 | 174.3° | 178.5° |
| C14 | C11 | C10 | H6 | 57.3° | 60.9° |
| C14 | C11 | C10 | H7 | 61.5° | 59.6° |
| C14 | C11 | C12 | H9 | 54.0° | 58.2° |
| C14 | C11 | C12 | H10 | 65.4° | 61.3° |
| C11 | C14 | H13 | H14 | 119.9° | 120.0° |
| C11 | C14 | O2 | H41 | 180.0° | 179.9° |
| C7 | C8 | C9 | O1 | 58.3° | 64.4° |
| C7 | C8 | C9 | C13 | 129.2° | 119.8° |
| C7 | C8 | C9 | H40 | 114.6° | 119.1° |
| C7 | C8 | C13 | H40 | 113.0° | 119.5° |
| C7 | C8 | C13 | C12 | 64.3° | 61.6° |
| C7 | C8 | C9 | C15 | 57.0° | 55.1° |
| C7 | C8 | C9 | C16 | 178.5° | 175.7° |
| C8 | C7 | C10 | H6 | 62.8° | 178.7° |
| C8 | C7 | C10 | H7 | 178.4° | 58.2° |
| C7 | C8 | C13 | H11 | 55.7° | 178.7° |
| C7 | C8 | C13 | H12 | 175.8° | 58.3° |
| C11 | C12 | C13 | C8 | 57.1° | 59.2° |
| C11 | C12 | C13 | H9 | 120.3° | 120.3° |
| C11 | C12 | C13 | H10 | 120.3° | 120.3° |
| C12 | C11 | C10 | H6 | 67.6° | 178.8° |
| C12 | C11 | C10 | H7 | 173.6° | 60.7° |
| C11 | C12 | H9 | H10 | 119.1° | 119.6° |
| C11 | C12 | C13 | H11 | 62.9° | 178.9° |
| C11 | C12 | C13 | H12 | 177.0° | 60.8° |
| C12 | C11 | C14 | H13 | 24.2° | 55.7° |
| C12 | C11 | C14 | H14 | 95.8° | 175.7° |
| O1 | C9 | C8 | C15 | 115.3° | 119.5° |
| O1 | C9 | C8 | C16 | 120.2° | 119.9° |
| O1 | C9 | C8 | C13 | 172.5° | 175.8° |
| O1 | C9 | C15 | C16 | 116.5° | 120.7° |
| O1 | C9 | C15 | H15 | 180.0° | 58.6° |
| O1 | C9 | C15 | H16 | 60.0° | 61.4° |
| O1 | C9 | C15 | H17 | 60.0° | 178.6° |
| O1 | C9 | C16 | H18 | 180.0° | 178.8° |
| O1 | C9 | C16 | H19 | 60.0° | 61.2° |
| O1 | C9 | C16 | H20 | 60.0° | 58.8° |
| O1 | C9 | C8 | H40 | 56.3° | 54.7° |
| C9 | C8 | C13 | H40 | 116.2° | 121.2° |
| C9 | C8 | C13 | C12 | 164.9° | 179.1° |
| C8 | C9 | C15 | C16 | 127.3° | 120.7° |
| C9 | C8 | C13 | H11 | 75.2° | 59.4° |
| C9 | C8 | C13 | H12 | 45.0° | 61.1° |
| C8 | C9 | C15 | H15 | 63.7° | 60.0° |
| C8 | C9 | C15 | H16 | 56.2° | 180.0° |
| C8 | C9 | C15 | H17 | 176.3° | 60.0° |
| C8 | C9 | C16 | H18 | 60.8° | 60.0° |
| C8 | C9 | C16 | H19 | 179.2° | 180.0° |
| C8 | C9 | C16 | H20 | 59.2° | 60.0° |
| C9 | C8 | C7 | H39 | 79.4° | 66.5° |
| C8 | C13 | C12 | H11 | 119.9° | 119.7° |
| C8 | C13 | C12 | H12 | 119.9° | 120.0° |
| C13 | C8 | C9 | C15 | 72.2° | 64.7° |
| C13 | C8 | C9 | C16 | 52.3° | 56.0° |
| C8 | C13 | C12 | H9 | 63.2° | 61.1° |
| C8 | C13 | C12 | H10 | 177.4° | 179.4° |
| C8 | C13 | H11 | H12 | 120.2° | 120.6° |
| C13 | C8 | C7 | H39 | 52.9° | 55.1° |
| C13 | C12 | C11 | H8 | 66.8° | 61.9° |
| C13 | C12 | H9 | H10 | 119.0° | 119.6° |
| C12 | C13 | H11 | H12 | 120.2° | 120.3° |
| C12 | C13 | C8 | H40 | 48.7° | 57.9° |
| C9 | C15 | H15 | H16 | 120.0° | 120.0° |
| C9 | C15 | H15 | H17 | 120.0° | 120.0° |
| C9 | C15 | H16 | H17 | 120.0° | 120.0° |
| C15 | C9 | C16 | H18 | 65.8° | 60.7° |
| C15 | C9 | C16 | H19 | 54.2° | 59.3° |
| C15 | C9 | C16 | H20 | 174.2° | 179.3° |
| C15 | C9 | C8 | H40 | 171.6° | 174.2° |
| C16 | C9 | C15 | H15 | 63.5° | 179.3° |
| C16 | C9 | C15 | H16 | 176.5° | 59.3° |
| C16 | C9 | C15 | H17 | 56.5° | 60.7° |
| C9 | C16 | H18 | H19 | 120.0° | 120.0° |
| C9 | C16 | H18 | H20 | 120.0° | 120.0° |
| C9 | C16 | H19 | H20 | 120.0° | 120.0° |
| C16 | C9 | C8 | H40 | 63.9° | 65.2° |
| H6 | C10 | C11 | H8 | 174.4° | 58.7° |
| H6 | C10 | C7 | H39 | 178.7° | 63.0° |
| H7 | C10 | C11 | H8 | 55.6° | 179.1° |
| H7 | C10 | C7 | H39 | 62.5° | 176.5° |
| H8 | C11 | C12 | H9 | 172.9° | 177.9° |
| H8 | C11 | C12 | H10 | 53.5° | 58.4° |
| H8 | C11 | C14 | H13 | 143.0° | 175.4° |
| H8 | C11 | C14 | H14 | 23.1° | 64.6° |
| H9 | C12 | C13 | H11 | 176.8° | 58.6° |
| H9 | C12 | C13 | H12 | 56.7° | 178.9° |
| H10 | C12 | C13 | H11 | 57.4° | 60.9° |
| H10 | C12 | C13 | H12 | 62.7° | 59.4° |
| H11 | C13 | C8 | H40 | 168.7° | 61.8° |
| H12 | C13 | C8 | H40 | 71.2° | 177.7° |
| H13 | C14 | O2 | H41 | 60.0° | 60.0° |
| H14 | C14 | O2 | H41 | 60.0° | 60.1° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | C21 | H29 | 152.0° | NaN° |
| H21 | C18 | C21 | H30 | 33.1° | 60.0° |
| H22 | C18 | C21 | H29 | 89.9° | 60.0° |
| H22 | C18 | C21 | H30 | 151.2° | 179.9° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
| H26 | C20 | H27 | H28 | 120.0° | 120.1° |
| H29 | C21 | C22 | H31 | 75.5° | 180.0° |
| H29 | C21 | C22 | H32 | 43.6° | 60.0° |
| H30 | C21 | C22 | H31 | 165.6° | 60.0° |
| H30 | C21 | C22 | H32 | 75.3° | 180.0° |
| H31 | C22 | C23 | H33 | 132.6° | 180.0° |
| H31 | C22 | C23 | H34 | 13.5° | 60.0° |
| H32 | C22 | C23 | H33 | 108.3° | 60.0° |
| H32 | C22 | C23 | H34 | 132.6° | 180.0° |
| H33 | C23 | C24 | H35 | 176.0° | 180.0° |
| H33 | C23 | C24 | H36 | 65.1° | 60.0° |
| H34 | C23 | C24 | H35 | 64.9° | 60.0° |
| H34 | C23 | C24 | H36 | 54.0° | 180.0° |
| H35 | C24 | C25 | H37 | 156.8° | 60.0° |
| H35 | C24 | C25 | H38 | 83.7° | 180.0° |
| H36 | C24 | C25 | H37 | 37.8° | 180.0° |
| H36 | C24 | C25 | H38 | 157.4° | 60.0° |
| H37 | C25 | N1 | C26 | 118.3° | 120.0° |
| H38 | C25 | N1 | C26 | 122.1° | 0.0° |
| H39 | C7 | C8 | H40 | 166.0° | 174.5° |
