A1AHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C8 | sing | 1.36Å | 1.37Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | C29 | sing | 1.43Å | 1.41Å | |
| O5 | C28 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C15 | sing | 1.36Å | 1.36Å | |
| C10 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.47Å | |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C11 | doub | 1.36Å | 1.35Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.55Å | 1.52Å | |
| C2 | C3 | sing | 1.56Å | 1.54Å | |
| O1 | S1 | doub | 1.42Å | 1.47Å | |
| C1 | S1 | sing | 1.81Å | 1.89Å | |
| C1 | C18 | sing | 1.56Å | 1.54Å | |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N1 | sing | 1.40Å | 1.41Å | |
| C3 | O4 | sing | 1.47Å | 1.41Å | |
| S1 | N1 | sing | 1.66Å | 1.79Å | |
| S1 | O6 | doub | 1.42Å | 1.48Å | |
| C18 | O4 | sing | 1.47Å | 1.41Å | |
| N1 | C19 | sing | 1.47Å | 1.49Å | |
| C19 | C24 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C8 | C7 | 117.9° | 119.9° |
| O2 | C8 | C9 | 120.9° | 119.9° |
| C8 | O2 | H8 | 109.5° | 114.0° |
| C7 | C8 | C9 | 121.2° | 120.2° |
| C8 | C7 | C6 | 119.2° | 120.1° |
| C8 | C7 | H7 | 120.4° | 119.9° |
| C8 | C9 | C10 | 119.4° | 120.1° |
| C8 | C9 | H9 | 120.3° | 119.9° |
| C7 | C6 | C5 | 120.4° | 119.9° |
| C7 | C6 | H6 | 119.8° | 120.1° |
| C6 | C7 | H7 | 120.4° | 120.0° |
| C29 | O5 | C28 | 116.8° | 117.0° |
| O5 | C29 | H29 | 109.5° | 109.5° |
| O5 | C29 | H31 | 109.5° | 109.5° |
| O5 | C29 | H30 | 109.5° | 109.5° |
| O5 | C28 | C30 | 120.3° | 119.9° |
| O5 | C28 | C27 | 119.3° | 120.0° |
| C9 | C10 | C5 | 119.8° | 119.9° |
| C10 | C9 | H9 | 120.3° | 120.0° |
| C9 | C10 | H10 | 120.1° | 120.1° |
| C13 | C14 | C15 | 119.2° | 120.1° |
| C14 | C13 | C12 | 120.2° | 119.9° |
| C14 | C13 | H11 | 119.9° | 120.0° |
| C13 | C14 | H12 | 120.4° | 119.9° |
| C14 | C15 | O3 | 119.0° | 119.9° |
| C14 | C15 | C16 | 121.3° | 120.2° |
| C15 | C14 | H12 | 120.4° | 120.0° |
| C6 | C5 | C10 | 119.9° | 119.8° |
| C6 | C5 | C4 | 118.9° | 120.1° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C30 | C28 | C27 | 120.3° | 120.1° |
| C28 | C30 | C31 | 119.7° | 120.0° |
| C28 | C30 | H32 | 120.1° | 120.0° |
| C28 | C27 | C26 | 120.0° | 120.0° |
| C28 | C27 | H28 | 120.0° | 120.0° |
| C13 | C12 | C11 | 121.9° | 120.1° |
| C13 | C12 | C17 | 119.8° | 119.7° |
| C12 | C13 | H11 | 119.9° | 120.0° |
| C30 | C31 | C25 | 120.2° | 120.0° |
| C31 | C30 | H32 | 120.1° | 120.0° |
| C30 | C31 | H33 | 119.9° | 120.0° |
| O3 | C15 | C16 | 119.7° | 119.9° |
| C15 | O3 | H13 | 109.5° | 114.0° |
| C10 | C5 | C4 | 121.2° | 120.1° |
| C5 | C10 | H10 | 120.1° | 120.0° |
| C5 | C4 | C11 | 132.2° | 127.0° |
| C5 | C4 | C3 | 121.7° | 127.0° |
| C15 | C16 | C17 | 119.2° | 120.1° |
| C15 | C16 | H14 | 120.4° | 120.0° |
| C27 | C26 | C25 | 119.5° | 119.9° |
| C27 | C26 | H27 | 120.3° | 120.0° |
| C26 | C27 | H28 | 120.0° | 120.0° |
| C31 | C25 | C26 | 120.2° | 120.0° |
| C31 | C25 | N1 | 118.1° | 120.0° |
| C25 | C31 | H33 | 119.9° | 120.1° |
| C11 | C12 | C17 | 118.3° | 120.2° |
| C12 | C11 | C4 | 132.1° | 127.0° |
| C12 | C11 | C18 | 119.4° | 127.0° |
| C12 | C17 | C16 | 120.1° | 120.0° |
| C12 | C17 | H15 | 119.9° | 120.0° |
| C11 | C4 | C3 | 106.0° | 106.0° |
| C4 | C11 | C18 | 102.8° | 106.0° |
| C4 | C3 | C2 | 108.2° | 105.1° |
| C4 | C3 | O4 | 102.2° | 100.7° |
| C4 | C3 | H2 | 114.9° | 115.7° |
| C1 | C2 | C3 | 97.2° | 101.9° |
| C2 | C1 | S1 | 109.2° | 110.9° |
| C2 | C1 | C18 | 105.4° | 102.0° |
| C1 | C2 | H5 | 112.5° | 110.9° |
| C1 | C2 | H4 | 112.5° | 111.0° |
| C2 | C1 | H1 | 113.5° | 110.9° |
| C2 | C3 | O4 | 97.9° | 101.1° |
| C3 | C2 | H5 | 112.5° | 110.9° |
| C3 | C2 | H4 | 112.5° | 111.0° |
| C2 | C3 | H2 | 114.7° | 115.6° |
| O1 | S1 | C1 | 110.6° | 110.5° |
| O1 | S1 | N1 | 108.2° | 104.3° |
| O1 | S1 | O6 | 122.7° | 121.0° |
| S1 | C1 | C18 | 106.2° | 111.0° |
| C1 | S1 | N1 | 100.4° | 104.5° |
| C1 | S1 | O6 | 106.6° | 110.5° |
| S1 | C1 | H1 | 108.9° | 110.8° |
| C1 | C18 | C11 | 109.2° | 105.1° |
| C1 | C18 | O4 | 97.3° | 101.0° |
| C18 | C1 | H1 | 113.4° | 110.9° |
| C1 | C18 | H3 | 114.9° | 115.6° |
| C26 | C25 | N1 | 121.7° | 120.0° |
| C25 | C26 | H27 | 120.3° | 120.0° |
| C11 | C18 | O4 | 100.2° | 100.7° |
| C11 | C18 | H3 | 115.5° | 115.7° |
| C17 | C16 | H14 | 120.4° | 120.0° |
| C16 | C17 | H15 | 120.0° | 120.0° |
| C25 | N1 | S1 | 117.4° | 120.0° |
| C25 | N1 | C19 | 121.3° | 120.0° |
| C3 | O4 | C18 | 98.9° | 97.0° |
| O4 | C3 | H2 | 117.0° | 116.6° |
| N1 | S1 | O6 | 106.0° | 104.3° |
| S1 | N1 | C19 | 121.2° | 120.0° |
| O4 | C18 | H3 | 117.4° | 116.5° |
| N1 | C19 | C24 | 111.5° | 109.5° |
| N1 | C19 | C20 | 111.4° | 109.5° |
| N1 | C19 | H16 | 107.7° | 109.5° |
| C24 | C19 | C20 | 111.9° | 109.5° |
| C19 | C24 | C23 | 113.9° | 109.5° |
| C24 | C19 | H16 | 107.0° | 109.5° |
| C19 | C24 | H26 | 108.3° | 109.5° |
| C19 | C24 | H25 | 108.3° | 109.5° |
| C19 | C20 | C21 | 114.6° | 109.5° |
| C20 | C19 | H16 | 107.0° | 109.5° |
| C19 | C20 | H17 | 108.2° | 109.5° |
| C19 | C20 | H18 | 108.2° | 109.5° |
| C24 | C23 | C22 | 111.8° | 109.5° |
| C24 | C23 | H23 | 108.9° | 109.4° |
| C24 | C23 | H24 | 108.9° | 109.5° |
| C23 | C24 | H26 | 108.4° | 109.5° |
| C23 | C24 | H25 | 108.4° | 109.5° |
| C20 | C21 | C22 | 112.9° | 109.5° |
| C21 | C20 | H17 | 108.2° | 109.5° |
| C21 | C20 | H18 | 108.2° | 109.4° |
| C20 | C21 | H19 | 108.6° | 109.5° |
| C20 | C21 | H20 | 108.6° | 109.5° |
| C23 | C22 | C21 | 109.2° | 109.5° |
| C23 | C22 | H21 | 109.5° | 109.4° |
| C23 | C22 | H22 | 109.6° | 109.4° |
| C22 | C23 | H23 | 108.9° | 109.5° |
| C22 | C23 | H24 | 108.9° | 109.5° |
| C22 | C21 | H19 | 108.6° | 109.5° |
| C22 | C21 | H20 | 108.6° | 109.5° |
| C21 | C22 | H21 | 109.5° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.4° | 110.8° |
| H17 | C20 | H18 | 109.5° | 109.4° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H26 | C24 | H25 | 109.5° | 109.4° |
| H29 | C29 | H31 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.4° | 109.5° |
| H31 | C29 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C8 | C7 | C9 | 179.7° | 180.0° |
| O2 | C8 | C7 | C6 | 179.7° | 180.0° |
| O2 | C8 | C9 | C10 | 179.8° | 179.8° |
| O2 | C8 | C7 | H7 | 0.3° | 0.1° |
| O2 | C8 | C9 | H9 | 0.1° | 0.1° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C8 | C7 | C6 | H6 | 179.5° | 179.9° |
| C7 | C8 | O2 | H8 | 180.0° | 90.0° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | C5 | 0.2° | 0.5° |
| C9 | C8 | O2 | H8 | 0.3° | 90.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C8 | C9 | C10 | H10 | 179.8° | 179.9° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.8° | 0.2° |
| C7 | C6 | C5 | C4 | 179.4° | 180.0° |
| C29 | O5 | C28 | C30 | 156.2° | 180.0° |
| C29 | O5 | C28 | C27 | 20.5° | 0.0° |
| O5 | C29 | H29 | H31 | 120.0° | 120.1° |
| O5 | C29 | H29 | H30 | 120.0° | 120.0° |
| O5 | C29 | H31 | H30 | 120.0° | 120.0° |
| O5 | C28 | C30 | C27 | 176.6° | 180.0° |
| O5 | C28 | C30 | C31 | 179.1° | 179.7° |
| O5 | C28 | C27 | C26 | 179.4° | 180.0° |
| O5 | C28 | C27 | H28 | 0.6° | 0.0° |
| C28 | O5 | C29 | H29 | 180.0° | 60.0° |
| C28 | O5 | C29 | H31 | 60.0° | 60.0° |
| C28 | O5 | C29 | H30 | 60.0° | 180.0° |
| O5 | C28 | C30 | H32 | 0.9° | 0.0° |
| C9 | C10 | C5 | C6 | 0.7° | 0.5° |
| C9 | C10 | C5 | H10 | 180.0° | 179.6° |
| C9 | C10 | C5 | C4 | 179.3° | 179.8° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | O3 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C14 | C13 | C12 | C11 | 179.1° | 180.0° |
| C14 | C13 | C12 | C17 | 0.8° | 0.3° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | O3 | C16 | 179.8° | 179.9° |
| C14 | C15 | C16 | C17 | 0.5° | 0.2° |
| C14 | C15 | O3 | H13 | 180.0° | 90.0° |
| C15 | C14 | C13 | H11 | 179.8° | 180.0° |
| C14 | C15 | C16 | H14 | 179.5° | 180.0° |
| C6 | C5 | C10 | C4 | 178.5° | 179.7° |
| C6 | C5 | C4 | C11 | 155.3° | 65.0° |
| C6 | C5 | C4 | C3 | 29.1° | 115.0° |
| C5 | C6 | C7 | H7 | 179.5° | 179.9° |
| C6 | C5 | C10 | H10 | 179.3° | 179.9° |
| C28 | C30 | C31 | H32 | 180.0° | 179.7° |
| C30 | C28 | C27 | C26 | 2.8° | 0.0° |
| C28 | C30 | C31 | C25 | 1.2° | 0.6° |
| C30 | C28 | C27 | H28 | 177.2° | 179.9° |
| C28 | C30 | C31 | H33 | 178.7° | 180.0° |
| C27 | C28 | C30 | C31 | 2.5° | 0.3° |
| C28 | C27 | C26 | H28 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 1.7° | 0.0° |
| C28 | C27 | C26 | H27 | 178.3° | 180.0° |
| C27 | C28 | C30 | H32 | 177.5° | 179.9° |
| C13 | C12 | C11 | C17 | 178.3° | 179.7° |
| C13 | C12 | C11 | C4 | 37.5° | 114.7° |
| C13 | C12 | C11 | C18 | 111.2° | 65.3° |
| C13 | C12 | C17 | C16 | 0.8° | 0.5° |
| C12 | C13 | C14 | H12 | 179.8° | 180.0° |
| C13 | C12 | C17 | H15 | 179.2° | 179.7° |
| C30 | C31 | C25 | H33 | 180.0° | 179.4° |
| C30 | C31 | C25 | C26 | 0.2° | 0.5° |
| C30 | C31 | C25 | N1 | 178.7° | 179.7° |
| O3 | C15 | C16 | C17 | 179.8° | 179.8° |
| O3 | C15 | C14 | H12 | 0.2° | 0.0° |
| O3 | C15 | C16 | H14 | 0.3° | 0.1° |
| C10 | C5 | C4 | C11 | 26.1° | 115.2° |
| C10 | C5 | C4 | C3 | 149.4° | 64.7° |
| C10 | C5 | C6 | H6 | 179.2° | 179.8° |
| C5 | C10 | C9 | H9 | 179.8° | 179.8° |
| C5 | C4 | C11 | C12 | 16.7° | 0.0° |
| C5 | C4 | C11 | C3 | 176.1° | 180.0° |
| C5 | C4 | C3 | C2 | 98.5° | 107.5° |
| C5 | C4 | C11 | C18 | 169.0° | 180.0° |
| C5 | C4 | C3 | O4 | 158.9° | 147.9° |
| C4 | C5 | C6 | H6 | 0.6° | 0.1° |
| C5 | C4 | C3 | H2 | 31.0° | 21.3° |
| C4 | C5 | C10 | H10 | 0.7° | 0.2° |
| C15 | C16 | C17 | C12 | 0.1° | 0.4° |
| C15 | C16 | C17 | H14 | 180.0° | 179.8° |
| C16 | C15 | O3 | H13 | 0.2° | 90.0° |
| C16 | C15 | C14 | H12 | 179.6° | 180.0° |
| C15 | C16 | C17 | H15 | 179.8° | 179.7° |
| C27 | C26 | C25 | C31 | 0.5° | 0.2° |
| C27 | C26 | C25 | H27 | 180.0° | 180.0° |
| C27 | C26 | C25 | N1 | 178.4° | 180.0° |
| C31 | C25 | C26 | N1 | 178.8° | 179.7° |
| C31 | C25 | N1 | S1 | 73.3° | 109.0° |
| C31 | C25 | N1 | C19 | 104.3° | 70.7° |
| C31 | C25 | C26 | H27 | 179.5° | 179.7° |
| C25 | C31 | C30 | H32 | 178.8° | 179.7° |
| C12 | C11 | C4 | C18 | 152.3° | 180.0° |
| C12 | C11 | C4 | C3 | 167.3° | 180.0° |
| C12 | C11 | C18 | C1 | 98.6° | 107.5° |
| C11 | C12 | C17 | C16 | 179.1° | 179.8° |
| C12 | C11 | C18 | O4 | 159.9° | 147.9° |
| C11 | C12 | C13 | H11 | 0.9° | 0.0° |
| C11 | C12 | C17 | H15 | 0.8° | 0.0° |
| C12 | C11 | C18 | H3 | 32.7° | 21.4° |
| C17 | C12 | C11 | C4 | 144.2° | 65.0° |
| C17 | C12 | C11 | C18 | 67.2° | 115.0° |
| C12 | C17 | C16 | H15 | 180.0° | 179.8° |
| C17 | C12 | C13 | H11 | 179.2° | 179.8° |
| C12 | C17 | C16 | H14 | 179.9° | 179.7° |
| C11 | C4 | C3 | C2 | 84.9° | 72.5° |
| C4 | C11 | C18 | C1 | 58.1° | 72.5° |
| C11 | C4 | C3 | O4 | 17.7° | 32.2° |
| C4 | C11 | C18 | O4 | 43.4° | 32.1° |
| C11 | C4 | C3 | H2 | 145.5° | 158.7° |
| C4 | C11 | C18 | H3 | 170.6° | 158.6° |
| C4 | C3 | C2 | C1 | 61.7° | 69.6° |
| C4 | C3 | C2 | O4 | 105.7° | 104.4° |
| C4 | C3 | C2 | H2 | 129.6° | 128.8° |
| C3 | C4 | C11 | C18 | 14.9° | 0.0° |
| C4 | C3 | O4 | H2 | 126.4° | 125.9° |
| C4 | C3 | O4 | C18 | 44.4° | 50.5° |
| C4 | C3 | C2 | H5 | 179.7° | 172.2° |
| C4 | C3 | C2 | H4 | 56.2° | 48.6° |
| C1 | C2 | C3 | H5 | 118.0° | 118.1° |
| C1 | C2 | C3 | H4 | 118.0° | 118.2° |
| C2 | C1 | S1 | O1 | 80.3° | 168.0° |
| C2 | C1 | S1 | C18 | 113.2° | 112.6° |
| C2 | C1 | S1 | H1 | 124.5° | 123.6° |
| C2 | C1 | C18 | H1 | 124.8° | 118.1° |
| C2 | C1 | C18 | C11 | 76.5° | 69.5° |
| C1 | C2 | C3 | O4 | 44.0° | 34.7° |
| C2 | C1 | S1 | N1 | 165.7° | 56.4° |
| C2 | C1 | S1 | O6 | 55.3° | 55.2° |
| C2 | C1 | C18 | O4 | 27.1° | 34.8° |
| C1 | C2 | H5 | H4 | 125.7° | 123.7° |
| C1 | C2 | C3 | H2 | 168.6° | 161.5° |
| C2 | C1 | C18 | H3 | 152.0° | 161.5° |
| C3 | C2 | C1 | S1 | 123.7° | 118.2° |
| C3 | C2 | C1 | C18 | 10.0° | 0.1° |
| C2 | C3 | O4 | H2 | 122.9° | 126.2° |
| C2 | C3 | O4 | C18 | 66.2° | 57.4° |
| C3 | C2 | H5 | H4 | 125.7° | 123.7° |
| C3 | C2 | C1 | H1 | 114.7° | 118.2° |
| O1 | S1 | C1 | N1 | 114.1° | 111.6° |
| O1 | S1 | C1 | O6 | 135.6° | 136.8° |
| O1 | S1 | C1 | C18 | 166.5° | 79.3° |
| O1 | S1 | N1 | C25 | 57.8° | 30.4° |
| O1 | S1 | N1 | O6 | 133.3° | 127.9° |
| O1 | S1 | N1 | C19 | 119.7° | 149.3° |
| O1 | S1 | C1 | H1 | 44.2° | 44.4° |
| S1 | C1 | C18 | H1 | 119.5° | 123.7° |
| S1 | C1 | C18 | C11 | 167.8° | 172.2° |
| C1 | S1 | N1 | C25 | 58.1° | 85.7° |
| C1 | S1 | N1 | O6 | 110.8° | 116.1° |
| S1 | C1 | C18 | O4 | 88.7° | 83.4° |
| C1 | S1 | N1 | C19 | 124.4° | 94.6° |
| S1 | C1 | C2 | H5 | 5.7° | 0.0° |
| S1 | C1 | C2 | H4 | 118.4° | 123.6° |
| S1 | C1 | C18 | H3 | 36.2° | 43.3° |
| C1 | C18 | C11 | O4 | 101.5° | 104.6° |
| C1 | C18 | C11 | H3 | 131.3° | 128.8° |
| C1 | C18 | O4 | C3 | 57.1° | 57.4° |
| C18 | C1 | S1 | N1 | 52.5° | 169.1° |
| C18 | C1 | S1 | O6 | 57.9° | 57.4° |
| C1 | C18 | O4 | H3 | 123.0° | 126.1° |
| C18 | C1 | C2 | H5 | 108.0° | 118.2° |
| C18 | C1 | C2 | H4 | 127.9° | 118.2° |
| C26 | C25 | N1 | S1 | 107.9° | 71.2° |
| C26 | C25 | N1 | C19 | 74.6° | 109.1° |
| C25 | C26 | C27 | H28 | 178.3° | 180.0° |
| C26 | C25 | C31 | H33 | 179.8° | 180.0° |
| C11 | C18 | O4 | C3 | 54.0° | 50.5° |
| C11 | C18 | O4 | H3 | 125.8° | 126.0° |
| C11 | C18 | C1 | H1 | 48.3° | 48.6° |
| C25 | N1 | S1 | C19 | 177.5° | 179.7° |
| C25 | N1 | S1 | O6 | 168.9° | 158.3° |
| C25 | N1 | C19 | C24 | 36.1° | 65.5° |
| C25 | N1 | C19 | C20 | 89.7° | 54.5° |
| C25 | N1 | C19 | H16 | 153.2° | 174.5° |
| N1 | C25 | C26 | H27 | 1.6° | 0.0° |
| N1 | C25 | C31 | H33 | 1.4° | 0.3° |
| O4 | C3 | C2 | H5 | 74.0° | 83.4° |
| O4 | C3 | C2 | H4 | 161.9° | 152.9° |
| C3 | O4 | C18 | H3 | 179.9° | 176.5° |
| S1 | N1 | C19 | C24 | 146.5° | 114.2° |
| S1 | N1 | C19 | C20 | 87.7° | 125.8° |
| N1 | S1 | C1 | H1 | 69.9° | 67.2° |
| S1 | N1 | C19 | H16 | 29.3° | 5.8° |
| O6 | S1 | N1 | C19 | 13.6° | 21.4° |
| O6 | S1 | C1 | H1 | 179.8° | 178.8° |
| O4 | C18 | C1 | H1 | 151.9° | 152.9° |
| C18 | O4 | C3 | H2 | 170.9° | 176.5° |
| N1 | C19 | C24 | C20 | 125.5° | 120.0° |
| N1 | C19 | C24 | H16 | 117.6° | 120.0° |
| N1 | C19 | C20 | H16 | 117.5° | 120.0° |
| N1 | C19 | C24 | C23 | 171.2° | 180.0° |
| N1 | C19 | C20 | C21 | 169.1° | 180.0° |
| N1 | C19 | C20 | H17 | 48.3° | 60.0° |
| N1 | C19 | C20 | H18 | 70.2° | 60.0° |
| N1 | C19 | C24 | H26 | 68.1° | 60.0° |
| N1 | C19 | C24 | H25 | 50.6° | 60.0° |
| C24 | C19 | C20 | H16 | 116.9° | 120.0° |
| C19 | C24 | C23 | H26 | 120.6° | 120.0° |
| C19 | C24 | C23 | H25 | 120.6° | 120.0° |
| C24 | C19 | C20 | C21 | 43.5° | 60.0° |
| C19 | C24 | C23 | C22 | 54.6° | 60.0° |
| C24 | C19 | C20 | H17 | 77.3° | 60.0° |
| C24 | C19 | C20 | H18 | 164.2° | 180.0° |
| C19 | C24 | C23 | H23 | 65.8° | 180.0° |
| C19 | C24 | C23 | H24 | 175.0° | 60.0° |
| C19 | C24 | H26 | H25 | 118.0° | 120.0° |
| C20 | C19 | C24 | C23 | 45.7° | 60.0° |
| C19 | C20 | C21 | H17 | 120.8° | 120.0° |
| C19 | C20 | C21 | H18 | 120.8° | 120.0° |
| C19 | C20 | C21 | C22 | 50.3° | 60.0° |
| C19 | C20 | H17 | H18 | 117.7° | 120.0° |
| C19 | C20 | C21 | H19 | 170.8° | 180.0° |
| C19 | C20 | C21 | H20 | 70.2° | 60.0° |
| C20 | C19 | C24 | H26 | 166.4° | 180.0° |
| C20 | C19 | C24 | H25 | 74.9° | 60.0° |
| C24 | C23 | C22 | H23 | 120.4° | 120.0° |
| C24 | C23 | C22 | H24 | 120.3° | 120.0° |
| C24 | C23 | C22 | C21 | 58.6° | 60.0° |
| C23 | C24 | C19 | H16 | 71.2° | 60.0° |
| C24 | C23 | C22 | H21 | 178.5° | 60.0° |
| C24 | C23 | C22 | H22 | 61.3° | 180.0° |
| C24 | C23 | H23 | H24 | 118.9° | 120.0° |
| C23 | C24 | H26 | H25 | 118.0° | 120.0° |
| C20 | C21 | C22 | C23 | 56.6° | 60.0° |
| C20 | C21 | C22 | H19 | 120.5° | 120.0° |
| C20 | C21 | C22 | H20 | 120.5° | 120.0° |
| C21 | C20 | C19 | H16 | 73.4° | 60.0° |
| C21 | C20 | H17 | H18 | 117.6° | 120.0° |
| C20 | C21 | H19 | H20 | 118.4° | 120.0° |
| C20 | C21 | C22 | H21 | 176.5° | 60.0° |
| C20 | C21 | C22 | H22 | 63.4° | 180.0° |
| C23 | C22 | C21 | H21 | 119.9° | 120.0° |
| C23 | C22 | C21 | H22 | 120.0° | 120.0° |
| C23 | C22 | C21 | H19 | 177.1° | 180.0° |
| C23 | C22 | C21 | H20 | 64.0° | 60.0° |
| C23 | C22 | H21 | H22 | 120.2° | 120.0° |
| C22 | C23 | H23 | H24 | 118.9° | 120.0° |
| C22 | C23 | C24 | H26 | 175.2° | 180.0° |
| C22 | C23 | C24 | H25 | 66.0° | 60.0° |
| C22 | C21 | C20 | H17 | 70.5° | 60.0° |
| C22 | C21 | C20 | H18 | 171.0° | 180.0° |
| C22 | C21 | H19 | H20 | 118.4° | 120.0° |
| C21 | C22 | H21 | H22 | 120.1° | 120.0° |
| C21 | C22 | C23 | H23 | 61.8° | 180.0° |
| C21 | C22 | C23 | H24 | 178.9° | 60.0° |
| H5 | C2 | C1 | H1 | 127.4° | 123.6° |
| H5 | C2 | C3 | H2 | 50.7° | 43.4° |
| H4 | C2 | C1 | H1 | 3.3° | 0.0° |
| H4 | C2 | C3 | H2 | 73.4° | 80.2° |
| H6 | C6 | C7 | H7 | 0.5° | 0.1° |
| H1 | C1 | C18 | H3 | 83.3° | 80.3° |
| H9 | C9 | C10 | H10 | 0.2° | 0.2° |
| H11 | C13 | C14 | H12 | 0.2° | 0.0° |
| H14 | C16 | C17 | H15 | 0.1° | 0.1° |
| H16 | C19 | C20 | H17 | 165.8° | 180.0° |
| H16 | C19 | C20 | H18 | 47.3° | 60.0° |
| H16 | C19 | C24 | H26 | 49.5° | 60.0° |
| H16 | C19 | C24 | H25 | 168.2° | 180.0° |
| H17 | C20 | C21 | H19 | 50.0° | 59.9° |
| H17 | C20 | C21 | H20 | 169.0° | 180.0° |
| H18 | C20 | C21 | H19 | 68.4° | 60.0° |
| H18 | C20 | C21 | H20 | 50.5° | 60.0° |
| H19 | C21 | C22 | H21 | 63.0° | 60.0° |
| H19 | C21 | C22 | H22 | 57.1° | 60.1° |
| H20 | C21 | C22 | H21 | 56.0° | 180.0° |
| H20 | C21 | C22 | H22 | 176.1° | 60.0° |
| H21 | C22 | C23 | H23 | 58.2° | 60.0° |
| H21 | C22 | C23 | H24 | 61.1° | 180.0° |
| H22 | C22 | C23 | H23 | 178.3° | 60.0° |
| H22 | C22 | C23 | H24 | 59.0° | 60.0° |
| H23 | C23 | C24 | H26 | 54.9° | 60.0° |
| H23 | C23 | C24 | H25 | 173.6° | 60.0° |
| H24 | C23 | C24 | H26 | 64.4° | 60.0° |
| H24 | C23 | C24 | H25 | 54.3° | 180.0° |
| H27 | C26 | C27 | H28 | 1.7° | 0.0° |
| H29 | C29 | H31 | H30 | 119.9° | 120.0° |
| H32 | C30 | C31 | H33 | 1.3° | 0.3° |
