79G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O39 | sing | 1.43Å | 1.43Å | |
| O39 | C2 | sing | 1.36Å | 1.39Å | |
| C4 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C18 | sing | 1.53Å | 1.50Å | |
| C12 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | S8 | sing | 1.76Å | 1.74Å | |
| O10 | S8 | doub | 1.42Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | N11 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| S8 | N11 | sing | 1.66Å | 1.71Å | |
| S8 | O9 | doub | 1.42Å | 1.42Å | |
| N11 | C21 | sing | 1.47Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.61Å | |
| O22 | C1 | doub | 1.22Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C22 | O18 | sing | 1.43Å | 1.39Å | |
| C23 | N20 | sing | 1.46Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | N20 | sing | 1.35Å | 1.41Å | |
| C1 | C3 | sing | 1.48Å | 1.50Å | |
| C24 | C30 | sing | 1.51Å | 1.48Å | |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C13 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O1 | sing | 1.36Å | 1.36Å | |
| C9 | C14 | sing | 1.51Å | 1.52Å | |
| N1 | C14 | sing | 1.47Å | 1.47Å | |
| O1 | C16 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| O18 | H20 | sing | 0.97Å | 0.95Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| N20 | H29 | sing | 0.97Å | 1.00Å | |
| C5 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| N1 | H32 | sing | 1.01Å | 1.00Å | |
| N1 | H33 | sing | 1.01Å | 1.00Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.08Å | 1.08Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O39 | C2 | 119.5° | 116.9° |
| O39 | C31 | H1 | 109.5° | 109.4° |
| O39 | C31 | H2 | 109.5° | 109.5° |
| O39 | C31 | H3 | 109.5° | 109.5° |
| O39 | C2 | C4 | 118.8° | 120.1° |
| O39 | C2 | C12 | 123.0° | 120.0° |
| C2 | C4 | C6 | 120.2° | 119.9° |
| C4 | C2 | C12 | 118.2° | 119.9° |
| C2 | C4 | H6 | 119.9° | 120.0° |
| C4 | C6 | C8 | 123.7° | 120.0° |
| C6 | C4 | H6 | 119.9° | 120.0° |
| C4 | C6 | H7 | 118.1° | 119.9° |
| C2 | C12 | C10 | 119.9° | 119.9° |
| C2 | C12 | H4 | 120.0° | 120.1° |
| C6 | C8 | C10 | 114.0° | 120.1° |
| C6 | C8 | S8 | 124.4° | 119.9° |
| C8 | C6 | H7 | 118.2° | 120.0° |
| C20 | C18 | C17 | 110.0° | 109.5° |
| C20 | C18 | C19 | 105.9° | 109.4° |
| C20 | C18 | H10 | 110.1° | 109.5° |
| C18 | C20 | H11 | 109.5° | 109.5° |
| C18 | C20 | H12 | 109.4° | 109.5° |
| C18 | C20 | H13 | 109.4° | 109.4° |
| C12 | C10 | C8 | 124.0° | 120.1° |
| C10 | C12 | H4 | 120.1° | 120.0° |
| C12 | C10 | H5 | 118.0° | 120.0° |
| C10 | C8 | S8 | 121.6° | 119.9° |
| C8 | C10 | H5 | 118.0° | 120.0° |
| C8 | S8 | O10 | 107.0° | 106.4° |
| C8 | S8 | N11 | 111.7° | 107.2° |
| C8 | S8 | O9 | 106.3° | 106.4° |
| O10 | S8 | N11 | 105.0° | 106.4° |
| O10 | S8 | O9 | 120.1° | 123.2° |
| C18 | C17 | N11 | 113.2° | 109.4° |
| C17 | C18 | C19 | 111.4° | 109.4° |
| C18 | C17 | H8 | 108.6° | 109.5° |
| C18 | C17 | H9 | 108.6° | 109.5° |
| C17 | C18 | H10 | 109.7° | 109.5° |
| C17 | N11 | S8 | 116.6° | 120.0° |
| C17 | N11 | C21 | 107.4° | 120.0° |
| N11 | C17 | H8 | 108.6° | 109.5° |
| N11 | C17 | H9 | 108.5° | 109.4° |
| C19 | C18 | H10 | 109.7° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| N11 | S8 | O9 | 106.9° | 106.4° |
| S8 | N11 | C21 | 124.8° | 120.0° |
| N11 | C21 | C22 | 122.4° | 109.5° |
| N11 | C21 | H17 | 106.1° | 109.4° |
| N11 | C21 | H18 | 106.1° | 109.5° |
| C21 | C22 | C23 | 118.8° | 109.5° |
| C21 | C22 | O18 | 108.6° | 109.5° |
| C22 | C21 | H17 | 106.2° | 109.5° |
| C22 | C21 | H18 | 106.1° | 109.5° |
| C21 | C22 | H19 | 104.7° | 109.5° |
| O22 | C1 | N20 | 121.5° | 120.0° |
| O22 | C1 | C3 | 118.1° | 120.0° |
| C23 | C22 | O18 | 111.9° | 109.5° |
| C22 | C23 | N20 | 120.5° | 109.4° |
| C22 | C23 | C24 | 103.3° | 109.5° |
| C23 | C22 | H19 | 105.0° | 109.4° |
| C22 | C23 | H21 | 108.3° | 109.5° |
| O18 | C22 | H19 | 107.0° | 109.5° |
| C22 | O18 | H20 | 109.5° | 114.0° |
| N20 | C23 | C24 | 106.4° | 109.5° |
| C23 | N20 | C1 | 128.2° | 120.0° |
| N20 | C23 | H21 | 109.3° | 109.5° |
| C23 | N20 | H29 | 115.9° | 120.1° |
| C23 | C24 | C30 | 117.9° | 109.5° |
| C24 | C23 | H21 | 108.5° | 109.5° |
| C23 | C24 | H22 | 107.3° | 109.5° |
| C23 | C24 | H23 | 107.3° | 109.5° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | C27 | 120.1° | 120.0° |
| C29 | C28 | H27 | 119.9° | 120.0° |
| C28 | C29 | H28 | 119.9° | 120.0° |
| C29 | C30 | C24 | 119.2° | 120.0° |
| C29 | C30 | C25 | 118.7° | 120.0° |
| C30 | C29 | H28 | 119.9° | 120.0° |
| N20 | C1 | C3 | 120.4° | 120.0° |
| C1 | N20 | H29 | 115.9° | 120.0° |
| C1 | C3 | C7 | 119.5° | 120.1° |
| C1 | C3 | C5 | 121.0° | 120.2° |
| C24 | C30 | C25 | 122.1° | 120.0° |
| C30 | C24 | H22 | 107.3° | 109.4° |
| C30 | C24 | H23 | 107.3° | 109.5° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C28 | C27 | H26 | 120.1° | 120.0° |
| C27 | C28 | H27 | 119.9° | 120.0° |
| C30 | C25 | C26 | 120.9° | 120.0° |
| C30 | C25 | H24 | 119.6° | 120.0° |
| C3 | C7 | C13 | 120.5° | 119.8° |
| C7 | C3 | C5 | 119.4° | 119.7° |
| C3 | C7 | H40 | 119.8° | 120.1° |
| C7 | C13 | C11 | 118.3° | 120.4° |
| C7 | C13 | H39 | 120.8° | 119.8° |
| C13 | C7 | H40 | 119.8° | 120.1° |
| C3 | C5 | C9 | 121.5° | 120.2° |
| C3 | C5 | H30 | 119.2° | 119.9° |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C27 | C26 | H25 | 120.0° | 120.0° |
| C26 | C27 | H26 | 120.0° | 120.0° |
| C13 | C11 | C9 | 122.2° | 119.9° |
| C13 | C11 | O1 | 113.4° | 118.4° |
| C11 | C13 | H39 | 120.8° | 119.7° |
| C5 | C9 | C11 | 118.0° | 120.0° |
| C5 | C9 | C14 | 122.3° | 118.6° |
| C9 | C5 | H30 | 119.2° | 119.9° |
| C26 | C25 | H24 | 119.5° | 120.0° |
| C25 | C26 | H25 | 119.9° | 120.0° |
| C9 | C11 | O1 | 124.4° | 121.7° |
| C11 | C9 | C14 | 119.7° | 121.4° |
| C11 | O1 | C16 | 120.5° | 117.9° |
| C9 | C14 | N1 | 108.8° | 109.4° |
| C9 | C14 | C15 | 113.9° | 109.7° |
| C9 | C14 | H31 | 108.2° | 109.4° |
| N1 | C14 | C15 | 108.9° | 109.4° |
| N1 | C14 | H31 | 108.8° | 109.4° |
| C14 | N1 | H32 | 109.5° | 111.0° |
| C14 | N1 | H33 | 109.5° | 111.0° |
| O1 | C16 | C15 | 120.0° | 108.4° |
| O1 | C16 | H37 | 106.8° | 109.7° |
| O1 | C16 | H38 | 106.8° | 109.7° |
| C14 | C15 | C16 | 115.8° | 108.3° |
| C15 | C14 | H31 | 108.1° | 109.5° |
| C14 | C15 | H35 | 107.9° | 109.7° |
| C14 | C15 | H36 | 107.9° | 109.7° |
| C16 | C15 | H35 | 107.9° | 109.7° |
| C16 | C15 | H36 | 107.8° | 109.7° |
| C15 | C16 | H37 | 106.8° | 109.7° |
| C15 | C16 | H38 | 106.8° | 109.6° |
| H1 | C31 | H2 | 109.4° | 109.4° |
| H1 | C31 | H3 | 109.5° | 109.5° |
| H2 | C31 | H3 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.4° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H11 | C20 | H13 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.4° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H32 | N1 | H33 | 109.5° | 111.0° |
| H35 | C15 | H36 | 109.5° | 109.7° |
| H37 | C16 | H38 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O39 | C2 | C4 | 25.0° | 0.3° |
| C31 | O39 | C2 | C12 | 154.4° | 180.0° |
| O39 | C31 | H1 | H2 | 120.0° | 119.9° |
| O39 | C31 | H1 | H3 | 120.0° | 120.0° |
| O39 | C31 | H2 | H3 | 120.0° | 120.1° |
| O39 | C2 | C4 | C12 | 179.4° | 179.7° |
| O39 | C2 | C4 | C6 | 179.8° | 179.9° |
| O39 | C2 | C12 | C10 | 179.9° | 180.0° |
| C2 | O39 | C31 | H1 | 180.0° | 180.0° |
| C2 | O39 | C31 | H2 | 60.0° | 60.0° |
| C2 | O39 | C31 | H3 | 60.0° | 60.0° |
| O39 | C2 | C12 | H4 | 0.1° | 0.1° |
| O39 | C2 | C4 | H6 | 0.2° | 0.0° |
| C2 | C4 | C6 | H6 | 180.0° | 179.9° |
| C2 | C4 | C6 | C8 | 0.3° | 0.0° |
| C4 | C2 | C12 | C10 | 0.7° | 0.2° |
| C4 | C2 | C12 | H4 | 179.3° | 179.8° |
| C2 | C4 | C6 | H7 | 179.7° | 180.0° |
| C6 | C4 | C2 | C12 | 0.4° | 0.2° |
| C4 | C6 | C8 | H7 | 180.0° | 180.0° |
| C4 | C6 | C8 | C10 | 0.6° | 0.3° |
| C4 | C6 | C8 | S8 | 179.1° | 179.9° |
| C2 | C12 | C10 | H4 | 180.0° | 179.9° |
| C2 | C12 | C10 | C8 | 0.4° | 0.0° |
| C2 | C12 | C10 | H5 | 179.6° | 180.0° |
| C12 | C2 | C4 | H6 | 179.6° | 179.7° |
| C6 | C8 | C10 | C12 | 0.3° | 0.2° |
| C6 | C8 | C10 | S8 | 178.5° | 179.8° |
| C6 | C8 | S8 | O10 | 23.1° | 23.6° |
| C6 | C8 | S8 | N11 | 91.3° | 89.9° |
| C6 | C8 | S8 | O9 | 152.5° | 156.5° |
| C6 | C8 | C10 | H5 | 179.8° | 179.8° |
| C8 | C6 | C4 | H6 | 179.7° | 179.9° |
| C20 | C18 | C17 | C19 | 117.1° | 120.0° |
| C20 | C18 | C17 | H10 | 121.3° | 120.0° |
| C20 | C18 | C17 | N11 | 168.3° | 63.0° |
| C20 | C18 | C19 | H10 | 118.8° | 120.0° |
| C20 | C18 | C17 | H8 | 47.7° | 57.0° |
| C20 | C18 | C17 | H9 | 71.2° | 177.0° |
| C18 | C20 | H11 | H12 | 120.0° | 120.0° |
| C18 | C20 | H11 | H13 | 120.0° | 120.0° |
| C18 | C20 | H12 | H13 | 120.0° | 120.0° |
| C20 | C18 | C19 | H14 | 180.0° | 180.0° |
| C20 | C18 | C19 | H15 | 60.0° | 60.0° |
| C20 | C18 | C19 | H16 | 60.0° | 60.0° |
| C12 | C10 | C8 | H5 | 180.0° | 180.0° |
| C12 | C10 | C8 | S8 | 178.8° | 179.9° |
| C10 | C8 | S8 | O10 | 158.5° | 156.3° |
| C10 | C8 | S8 | N11 | 87.1° | 90.2° |
| C10 | C8 | S8 | O9 | 29.2° | 23.3° |
| C8 | C10 | C12 | H4 | 179.6° | 180.0° |
| C10 | C8 | C6 | H7 | 179.4° | 179.8° |
| C8 | S8 | O10 | N11 | 118.8° | 114.1° |
| C8 | S8 | O10 | O9 | 121.0° | 122.9° |
| C8 | S8 | N11 | C17 | 59.6° | 90.0° |
| C8 | S8 | N11 | O9 | 115.8° | 113.5° |
| C8 | S8 | N11 | C21 | 79.4° | 90.0° |
| S8 | C8 | C10 | H5 | 1.3° | 0.1° |
| S8 | C8 | C6 | H7 | 0.9° | 0.1° |
| O10 | S8 | N11 | C17 | 55.9° | 23.5° |
| O10 | S8 | N11 | O9 | 128.6° | 133.0° |
| O10 | S8 | N11 | C21 | 165.0° | 156.5° |
| C18 | C17 | N11 | H8 | 120.6° | 120.0° |
| C18 | C17 | N11 | H9 | 120.6° | 120.0° |
| C17 | C18 | C19 | H10 | 121.7° | 120.0° |
| C18 | C17 | N11 | S8 | 154.1° | 92.9° |
| C18 | C17 | N11 | C21 | 60.2° | 87.2° |
| C18 | C17 | H8 | H9 | 118.3° | 120.0° |
| C17 | C18 | C20 | H11 | 180.0° | 52.6° |
| C17 | C18 | C20 | H12 | 60.0° | 172.6° |
| C17 | C18 | C20 | H13 | 60.0° | 67.3° |
| C17 | C18 | C19 | H14 | 60.5° | 60.0° |
| C17 | C18 | C19 | H15 | 59.5° | 180.0° |
| C17 | C18 | C19 | H16 | 179.5° | 60.0° |
| N11 | C17 | C18 | C19 | 74.7° | 177.0° |
| C17 | N11 | S8 | C21 | 139.1° | 180.0° |
| C17 | N11 | S8 | O9 | 175.5° | 156.5° |
| C17 | N11 | C21 | C22 | 137.9° | 82.3° |
| N11 | C17 | H8 | H9 | 118.3° | 120.0° |
| N11 | C17 | C18 | H10 | 47.0° | 57.0° |
| C17 | N11 | C21 | H17 | 16.1° | 37.7° |
| C17 | N11 | C21 | H18 | 100.3° | 157.6° |
| C19 | C18 | C17 | H8 | 164.7° | 63.0° |
| C19 | C18 | C17 | H9 | 45.9° | 57.1° |
| C19 | C18 | C20 | H11 | 59.6° | 67.3° |
| C19 | C18 | C20 | H12 | 60.4° | 52.7° |
| C19 | C18 | C20 | H13 | 179.5° | 172.7° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H16 | 120.0° | 120.1° |
| S8 | N11 | C21 | C22 | 79.9° | 97.6° |
| S8 | N11 | C17 | H8 | 85.3° | 147.1° |
| S8 | N11 | C17 | H9 | 33.6° | 27.1° |
| S8 | N11 | C21 | H17 | 158.3° | 142.4° |
| S8 | N11 | C21 | H18 | 41.9° | 22.4° |
| O9 | S8 | N11 | C21 | 36.4° | 23.5° |
| N11 | C21 | C22 | H17 | 121.8° | 120.0° |
| N11 | C21 | C22 | H18 | 121.8° | 120.0° |
| N11 | C21 | C22 | C23 | 2.0° | 180.0° |
| N11 | C21 | C22 | O18 | 127.4° | 60.0° |
| C21 | N11 | C17 | H8 | 60.4° | 32.9° |
| C21 | N11 | C17 | H9 | 179.3° | 152.9° |
| N11 | C21 | H17 | H18 | 114.2° | 119.9° |
| N11 | C21 | C22 | H19 | 118.6° | 60.0° |
| C21 | C22 | C23 | O18 | 127.8° | 120.0° |
| C21 | C22 | C23 | H19 | 116.5° | 120.0° |
| C21 | C22 | O18 | H19 | 112.5° | 120.0° |
| C21 | C22 | C23 | N20 | 126.7° | 60.0° |
| C21 | C22 | C23 | C24 | 114.9° | 180.0° |
| C22 | C21 | H17 | H18 | 114.2° | 120.1° |
| C21 | C22 | O18 | H20 | 180.0° | 59.9° |
| C21 | C22 | C23 | H21 | 0.1° | 60.0° |
| O22 | C1 | N20 | C23 | 1.8° | 0.1° |
| O22 | C1 | N20 | C3 | 179.9° | 179.9° |
| O22 | C1 | C3 | C7 | 82.0° | 179.7° |
| O22 | C1 | C3 | C5 | 100.5° | 0.0° |
| O22 | C1 | N20 | H29 | 178.1° | 180.0° |
| C23 | C22 | O18 | H19 | 114.5° | 119.9° |
| C22 | C23 | N20 | C24 | 116.8° | 120.0° |
| C22 | C23 | N20 | H21 | 126.3° | 120.0° |
| C22 | C23 | C24 | H21 | 114.7° | 120.0° |
| C22 | C23 | N20 | C1 | 121.1° | 155.0° |
| C22 | C23 | C24 | C30 | 179.8° | 175.0° |
| C23 | C22 | C21 | H17 | 123.8° | 60.0° |
| C23 | C22 | C21 | H18 | 119.8° | 60.0° |
| C23 | C22 | O18 | H20 | 47.0° | 60.1° |
| C22 | C23 | C24 | H22 | 59.0° | 65.0° |
| C22 | C23 | C24 | H23 | 58.6° | 55.0° |
| C22 | C23 | N20 | H29 | 58.9° | 25.1° |
| O18 | C22 | C23 | N20 | 1.1° | 60.0° |
| O18 | C22 | C23 | C24 | 117.3° | 60.0° |
| O18 | C22 | C21 | H17 | 5.5° | 180.0° |
| O18 | C22 | C21 | H18 | 110.9° | 60.0° |
| O18 | C22 | C23 | H21 | 127.8° | 180.0° |
| N20 | C23 | C24 | H21 | 117.5° | 120.0° |
| C23 | N20 | C1 | H29 | 180.0° | 179.9° |
| C23 | N20 | C1 | C3 | 178.3° | 180.0° |
| N20 | C23 | C24 | C30 | 52.4° | 65.0° |
| N20 | C23 | C22 | H19 | 116.8° | 180.0° |
| N20 | C23 | C24 | H22 | 68.8° | 55.0° |
| N20 | C23 | C24 | H23 | 173.6° | 175.0° |
| C23 | C24 | C30 | C29 | 74.7° | 90.2° |
| C24 | C23 | N20 | C1 | 122.1° | 85.0° |
| C23 | C24 | C30 | H22 | 121.2° | 120.0° |
| C23 | C24 | C30 | H23 | 121.2° | 120.0° |
| C23 | C24 | C30 | C25 | 104.4° | 90.0° |
| C24 | C23 | C22 | H19 | 1.6° | 60.0° |
| C23 | C24 | H22 | H23 | 116.2° | 120.1° |
| C24 | C23 | N20 | H29 | 57.9° | 94.9° |
| C28 | C29 | C30 | H28 | 180.0° | 179.5° |
| C28 | C29 | C30 | C24 | 179.6° | 179.7° |
| C29 | C28 | C27 | H27 | 180.0° | 179.7° |
| C28 | C29 | C30 | C25 | 0.5° | 0.5° |
| C29 | C28 | C27 | C26 | 0.2° | 0.3° |
| C29 | C28 | C27 | H26 | 179.8° | 179.8° |
| C29 | C30 | C24 | C25 | 179.1° | 179.8° |
| C30 | C29 | C28 | C27 | 0.3° | 0.5° |
| C29 | C30 | C25 | C26 | 0.7° | 0.3° |
| C29 | C30 | C24 | H22 | 164.1° | 149.7° |
| C29 | C30 | C24 | H23 | 46.5° | 29.8° |
| C29 | C30 | C25 | H24 | 179.3° | 179.8° |
| C30 | C29 | C28 | H27 | 179.7° | 179.8° |
| N20 | C1 | C3 | C7 | 97.8° | 0.2° |
| N20 | C1 | C3 | C5 | 79.6° | 179.9° |
| C1 | N20 | C23 | H21 | 5.2° | 35.0° |
| C1 | C3 | C7 | C5 | 177.5° | 179.7° |
| C1 | C3 | C7 | C13 | 178.6° | 179.8° |
| C1 | C3 | C5 | C9 | 179.1° | 180.0° |
| C3 | C1 | N20 | H29 | 1.7° | 0.1° |
| C1 | C3 | C5 | H30 | 0.9° | 0.1° |
| C1 | C3 | C7 | H40 | 1.4° | 0.0° |
| C24 | C30 | C25 | C26 | 179.8° | 180.0° |
| C30 | C24 | C23 | H21 | 65.1° | 55.0° |
| C30 | C24 | H22 | H23 | 116.2° | 119.9° |
| C24 | C30 | C25 | H24 | 0.3° | 0.0° |
| C24 | C30 | C29 | H28 | 0.4° | 0.2° |
| C28 | C27 | C26 | H26 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C28 | C27 | C26 | H25 | 179.6° | 180.0° |
| C27 | C28 | C29 | H28 | 179.7° | 180.0° |
| C30 | C25 | C26 | C27 | 0.7° | 0.0° |
| C30 | C25 | C26 | H24 | 180.0° | 180.0° |
| C25 | C30 | C24 | H22 | 16.8° | 30.0° |
| C25 | C30 | C24 | H23 | 134.5° | 150.0° |
| C30 | C25 | C26 | H25 | 179.3° | 180.0° |
| C25 | C30 | C29 | H28 | 179.5° | 180.0° |
| C3 | C7 | C13 | H40 | 180.0° | 179.8° |
| C3 | C7 | C13 | C11 | 0.1° | 0.6° |
| C7 | C3 | C5 | C9 | 1.6° | 0.3° |
| C7 | C3 | C5 | H30 | 178.4° | 179.8° |
| C3 | C7 | C13 | H39 | 179.9° | 179.7° |
| C13 | C7 | C3 | C5 | 1.1° | 0.5° |
| C7 | C13 | C11 | H39 | 180.0° | 179.8° |
| C7 | C13 | C11 | C9 | 0.9° | 0.4° |
| C7 | C13 | C11 | O1 | 179.8° | 179.5° |
| C3 | C5 | C9 | H30 | 180.0° | 179.9° |
| C3 | C5 | C9 | C11 | 0.8° | 0.1° |
| C3 | C5 | C9 | C14 | 178.9° | 179.7° |
| C5 | C3 | C7 | H40 | 178.9° | 179.7° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| C27 | C26 | C25 | H24 | 179.3° | 180.0° |
| C26 | C27 | C28 | H27 | 179.8° | 180.0° |
| C13 | C11 | C9 | C5 | 0.4° | 0.2° |
| C13 | C11 | C9 | O1 | 178.7° | 179.9° |
| C13 | C11 | C9 | C14 | 177.7° | 179.6° |
| C13 | C11 | O1 | C16 | 171.6° | 162.8° |
| C11 | C13 | C7 | H40 | 179.9° | 179.7° |
| C5 | C9 | C11 | C14 | 178.2° | 179.8° |
| C5 | C9 | C11 | O1 | 179.2° | 179.7° |
| C5 | C9 | C14 | N1 | 40.6° | 42.4° |
| C5 | C9 | C14 | C15 | 162.3° | 162.4° |
| C5 | C9 | C14 | H31 | 77.4° | 77.5° |
| C25 | C26 | C27 | H26 | 179.6° | 180.0° |
| C11 | C9 | C14 | N1 | 141.3° | 137.8° |
| C9 | C11 | O1 | C16 | 9.5° | 17.3° |
| C11 | C9 | C14 | C15 | 19.6° | 17.8° |
| C11 | C9 | C5 | H30 | 179.2° | 180.0° |
| C11 | C9 | C14 | H31 | 100.7° | 102.3° |
| C9 | C11 | C13 | H39 | 179.1° | 179.8° |
| O1 | C11 | C9 | C14 | 1.0° | 0.5° |
| C11 | O1 | C16 | C15 | 0.2° | 49.4° |
| C11 | O1 | C16 | H37 | 121.7° | 70.4° |
| C11 | O1 | C16 | H38 | 121.3° | 169.0° |
| O1 | C11 | C13 | H39 | 0.2° | 0.3° |
| C9 | C14 | N1 | C15 | 124.7° | 120.2° |
| C9 | C14 | N1 | H31 | 117.6° | 119.9° |
| C9 | C14 | C15 | H31 | 120.3° | 120.1° |
| C9 | C14 | C15 | C16 | 27.4° | 48.2° |
| C14 | C9 | C5 | H30 | 1.1° | 0.2° |
| C9 | C14 | N1 | H32 | 180.0° | 180.0° |
| C9 | C14 | N1 | H33 | 60.0° | 56.1° |
| C9 | C14 | C15 | H35 | 148.3° | 167.9° |
| C9 | C14 | C15 | H36 | 93.5° | 71.5° |
| N1 | C14 | C15 | H31 | 118.0° | 119.9° |
| N1 | C14 | C15 | C16 | 149.1° | 168.3° |
| C14 | N1 | H32 | H33 | 120.0° | 123.9° |
| N1 | C14 | C15 | H35 | 90.0° | 72.1° |
| N1 | C14 | C15 | H36 | 28.2° | 48.5° |
| O1 | C16 | C15 | C14 | 19.0° | 64.9° |
| O1 | C16 | C15 | H37 | 121.5° | 119.8° |
| O1 | C16 | C15 | H38 | 121.5° | 119.7° |
| O1 | C16 | C15 | H35 | 139.9° | 175.5° |
| O1 | C16 | C15 | H36 | 101.9° | 54.9° |
| O1 | C16 | H37 | H38 | 115.2° | 120.6° |
| C14 | C15 | C16 | H35 | 120.9° | 119.7° |
| C14 | C15 | C16 | H36 | 120.9° | 119.8° |
| C15 | C14 | N1 | H32 | 55.2° | 59.8° |
| C15 | C14 | N1 | H33 | 175.3° | 176.3° |
| C14 | C15 | H35 | H36 | 117.1° | 120.6° |
| C14 | C15 | C16 | H37 | 140.5° | 54.9° |
| C14 | C15 | C16 | H38 | 102.5° | 175.4° |
| C16 | C15 | C14 | H31 | 92.9° | 71.8° |
| C16 | C15 | H35 | H36 | 117.1° | 120.6° |
| C15 | C16 | H37 | H38 | 115.2° | 120.5° |
| H1 | C31 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | C10 | H5 | 0.4° | 0.1° |
| H6 | C4 | C6 | H7 | 0.3° | 0.1° |
| H8 | C17 | C18 | H10 | 73.6° | 177.0° |
| H9 | C17 | C18 | H10 | 167.5° | 62.9° |
| H10 | C18 | C20 | H11 | 59.0° | 172.7° |
| H10 | C18 | C20 | H12 | 179.0° | 67.3° |
| H10 | C18 | C20 | H13 | 61.0° | 52.7° |
| H10 | C18 | C19 | H14 | 61.2° | 60.0° |
| H10 | C18 | C19 | H15 | 178.8° | 60.0° |
| H10 | C18 | C19 | H16 | 58.8° | 180.0° |
| H11 | C20 | H12 | H13 | 120.0° | 120.0° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C21 | C22 | H19 | 119.6° | 60.0° |
| H18 | C21 | C22 | H19 | 3.1° | 180.0° |
| H19 | C22 | O18 | H20 | 67.5° | 180.0° |
| H19 | C22 | C23 | H21 | 116.5° | 60.1° |
| H21 | C23 | C24 | H22 | 173.7° | 175.0° |
| H21 | C23 | C24 | H23 | 56.1° | 65.0° |
| H21 | C23 | N20 | H29 | 174.8° | 145.1° |
| H24 | C25 | C26 | H25 | 0.7° | 0.0° |
| H25 | C26 | C27 | H26 | 0.4° | 0.0° |
| H26 | C27 | C28 | H27 | 0.2° | 0.0° |
| H27 | C28 | C29 | H28 | 0.3° | 0.2° |
| H31 | C14 | N1 | H32 | 62.4° | 60.1° |
| H31 | C14 | N1 | H33 | 57.6° | 63.8° |
| H31 | C14 | C15 | H35 | 28.1° | 47.8° |
| H31 | C14 | C15 | H36 | 146.2° | 168.4° |
| H35 | C15 | C16 | H37 | 98.6° | 64.8° |
| H35 | C15 | C16 | H38 | 18.4° | 55.8° |
| H36 | C15 | C16 | H37 | 19.6° | 174.6° |
| H36 | C15 | C16 | H38 | 136.6° | 64.8° |
| H39 | C13 | C7 | H40 | 0.1° | 0.1° |
