A1AHY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C29 | sing | 1.43Å | 1.41Å | |
| O5 | C28 | sing | 1.36Å | 1.38Å | |
| C28 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C15 | sing | 1.36Å | 1.36Å | |
| O1 | S1 | doub | 1.42Å | 1.46Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N1 | sing | 1.40Å | 1.42Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| N1 | S1 | sing | 1.66Å | 1.77Å | |
| N1 | C19 | sing | 1.47Å | 1.50Å | |
| C18 | O4 | sing | 1.47Å | 1.38Å | |
| C18 | C1 | sing | 1.56Å | 1.52Å | |
| C18 | C11 | sing | 1.53Å | 1.50Å | |
| S1 | C1 | sing | 1.81Å | 1.87Å | |
| S1 | O6 | doub | 1.42Å | 1.48Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.48Å | |
| O4 | C3 | sing | 1.47Å | 1.39Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C24 | C19 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C11 | C4 | doub | 1.36Å | 1.37Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.56Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.36Å | |
| 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 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | 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 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | 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) |
| C29 | O5 | C28 | 121.6° | 117.0° |
| O5 | C29 | H30 | 109.5° | 109.5° |
| O5 | C29 | H29 | 109.5° | 109.5° |
| O5 | C29 | H31 | 109.5° | 109.5° |
| O5 | C28 | C30 | 123.1° | 119.9° |
| O5 | C28 | C27 | 118.1° | 120.0° |
| C30 | C28 | C27 | 118.8° | 120.0° |
| C28 | C30 | C31 | 120.6° | 120.0° |
| C28 | C30 | H32 | 119.7° | 120.0° |
| C28 | C27 | C26 | 119.3° | 120.0° |
| C28 | C27 | H28 | 120.3° | 120.0° |
| C30 | C31 | C25 | 120.8° | 120.0° |
| C31 | C30 | H32 | 119.7° | 120.0° |
| C30 | C31 | H33 | 119.6° | 120.0° |
| C27 | C26 | C25 | 123.2° | 120.0° |
| C27 | C26 | H27 | 118.4° | 120.0° |
| C26 | C27 | H28 | 120.3° | 120.0° |
| C31 | C25 | C26 | 117.1° | 120.0° |
| C31 | C25 | N1 | 119.3° | 120.0° |
| C25 | C31 | H33 | 119.6° | 120.0° |
| C26 | C25 | N1 | 123.6° | 120.0° |
| C25 | C26 | H27 | 118.4° | 120.0° |
| O3 | C15 | C14 | 119.7° | 119.9° |
| O3 | C15 | C16 | 118.9° | 119.9° |
| C15 | O3 | H13 | 109.5° | 114.0° |
| O1 | S1 | N1 | 105.5° | 104.3° |
| O1 | S1 | C1 | 107.6° | 110.5° |
| O1 | S1 | O6 | 120.6° | 121.0° |
| C15 | C14 | C13 | 118.5° | 120.1° |
| C14 | C15 | C16 | 121.4° | 120.2° |
| C15 | C14 | H12 | 120.7° | 119.9° |
| C14 | C13 | C12 | 121.0° | 119.9° |
| C14 | C13 | H11 | 119.5° | 120.1° |
| C13 | C14 | H12 | 120.8° | 119.9° |
| C25 | N1 | S1 | 118.0° | 120.0° |
| C25 | N1 | C19 | 131.9° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.1° |
| C15 | C16 | H14 | 120.1° | 119.9° |
| C13 | C12 | C17 | 119.4° | 119.8° |
| C13 | C12 | C11 | 121.0° | 120.1° |
| C12 | C13 | H11 | 119.5° | 120.0° |
| S1 | N1 | C19 | 109.5° | 120.0° |
| N1 | S1 | C1 | 105.9° | 104.5° |
| N1 | S1 | O6 | 111.8° | 104.3° |
| N1 | C19 | C24 | 116.3° | 109.5° |
| N1 | C19 | C20 | 123.4° | 109.5° |
| N1 | C19 | H16 | 104.1° | 109.5° |
| O4 | C18 | C1 | 95.3° | 101.1° |
| O4 | C18 | C11 | 102.2° | 100.7° |
| C18 | O4 | C3 | 101.3° | 97.0° |
| O4 | C18 | H3 | 118.7° | 115.9° |
| C1 | C18 | C11 | 105.6° | 105.1° |
| C18 | C1 | S1 | 115.7° | 111.0° |
| C18 | C1 | C2 | 104.5° | 101.9° |
| C18 | C1 | H1 | 112.2° | 110.9° |
| C1 | C18 | H3 | 115.9° | 115.6° |
| C18 | C11 | C12 | 119.0° | 127.0° |
| C18 | C11 | C4 | 105.8° | 106.0° |
| C11 | C18 | H3 | 116.3° | 116.2° |
| C1 | S1 | O6 | 104.5° | 110.5° |
| S1 | C1 | C2 | 104.3° | 110.9° |
| S1 | C1 | H1 | 108.0° | 110.9° |
| C16 | C17 | C12 | 119.9° | 119.9° |
| C17 | C16 | H14 | 120.1° | 120.0° |
| C16 | C17 | H15 | 120.0° | 120.1° |
| C17 | C12 | C11 | 119.6° | 120.1° |
| C12 | C17 | H15 | 120.1° | 120.0° |
| C12 | C11 | C4 | 135.2° | 127.0° |
| O4 | C3 | C4 | 101.6° | 100.7° |
| O4 | C3 | C2 | 103.7° | 101.0° |
| O4 | C3 | H2 | 118.3° | 116.6° |
| C1 | C2 | C3 | 97.8° | 102.0° |
| C1 | C2 | H5 | 112.3° | 110.9° |
| C1 | C2 | H4 | 112.3° | 110.9° |
| C2 | C1 | H1 | 112.1° | 110.9° |
| C19 | C24 | C23 | 113.6° | 109.4° |
| C24 | C19 | C20 | 103.7° | 109.4° |
| C24 | C19 | H16 | 103.6° | 109.5° |
| C19 | C24 | H26 | 108.4° | 109.4° |
| C19 | C24 | H25 | 108.4° | 109.5° |
| C24 | C23 | C22 | 114.0° | 109.5° |
| C24 | C23 | H24 | 108.3° | 109.4° |
| C24 | C23 | H23 | 108.3° | 109.5° |
| C23 | C24 | H26 | 108.4° | 109.5° |
| C23 | C24 | H25 | 108.4° | 109.5° |
| C11 | C4 | C3 | 104.0° | 105.9° |
| C11 | C4 | C5 | 127.9° | 127.1° |
| C19 | C20 | C21 | 117.3° | 109.5° |
| C20 | C19 | H16 | 103.4° | 109.5° |
| C19 | C20 | H17 | 107.5° | 109.5° |
| C19 | C20 | H18 | 107.5° | 109.4° |
| C4 | C3 | C2 | 99.4° | 105.1° |
| C3 | C4 | C5 | 117.8° | 127.0° |
| C4 | C3 | H2 | 115.8° | 115.7° |
| C3 | C2 | H5 | 112.3° | 110.9° |
| C3 | C2 | H4 | 112.3° | 110.9° |
| C2 | C3 | H2 | 115.5° | 115.6° |
| C23 | C22 | C21 | 110.2° | 109.5° |
| C23 | C22 | H22 | 109.3° | 109.5° |
| C23 | C22 | H21 | 109.3° | 109.5° |
| C22 | C23 | H24 | 108.3° | 109.5° |
| C22 | C23 | H23 | 108.3° | 109.5° |
| C4 | C5 | C10 | 119.7° | 120.1° |
| C4 | C5 | C6 | 119.5° | 120.1° |
| C20 | C21 | C22 | 118.1° | 109.4° |
| C21 | C20 | H17 | 107.5° | 109.5° |
| C21 | C20 | H18 | 107.5° | 109.4° |
| C20 | C21 | H20 | 107.3° | 109.5° |
| C20 | C21 | H19 | 107.3° | 109.5° |
| C22 | C21 | H20 | 107.3° | 109.5° |
| C22 | C21 | H19 | 107.3° | 109.5° |
| C21 | C22 | H22 | 109.3° | 109.5° |
| C21 | C22 | H21 | 109.3° | 109.5° |
| C10 | C5 | C6 | 120.8° | 119.8° |
| C5 | C10 | C9 | 119.7° | 119.8° |
| C5 | C10 | H10 | 120.1° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.1° |
| C10 | C9 | C8 | 118.8° | 120.2° |
| C10 | C9 | H9 | 120.6° | 119.9° |
| C9 | C10 | H10 | 120.1° | 120.1° |
| C6 | C7 | C8 | 118.6° | 120.1° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C6 | C7 | H7 | 120.7° | 120.0° |
| C9 | C8 | C7 | 122.2° | 120.2° |
| C9 | C8 | O2 | 117.5° | 119.9° |
| C8 | C9 | H9 | 120.6° | 120.0° |
| C7 | C8 | O2 | 120.3° | 119.9° |
| C8 | C7 | H7 | 120.7° | 120.0° |
| C8 | O2 | H8 | 109.5° | 114.0° |
| H5 | C2 | H4 | 109.5° | 110.8° |
| H17 | C20 | H18 | 109.4° | 109.5° |
| H20 | C21 | H19 | 109.5° | 109.5° |
| H22 | C22 | H21 | 109.5° | 109.4° |
| H24 | C23 | H23 | 109.5° | 109.5° |
| H26 | C24 | H25 | 109.5° | 109.5° |
| H30 | C29 | H29 | 109.5° | 109.4° |
| H30 | C29 | H31 | 109.5° | 109.4° |
| H29 | C29 | H31 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | O5 | C28 | C30 | 152.3° | 180.0° |
| C29 | O5 | C28 | C27 | 28.1° | 0.0° |
| O5 | C29 | H30 | H29 | 120.0° | 120.0° |
| O5 | C29 | H30 | H31 | 120.0° | 120.1° |
| O5 | C29 | H29 | H31 | 120.0° | 120.1° |
| O5 | C28 | C30 | C27 | 179.6° | 179.9° |
| O5 | C28 | C30 | C31 | 179.5° | 179.7° |
| O5 | C28 | C27 | C26 | 177.6° | 179.9° |
| O5 | C28 | C27 | H28 | 2.4° | 0.1° |
| C28 | O5 | C29 | H30 | 180.0° | 59.9° |
| C28 | O5 | C29 | H29 | 60.0° | 60.0° |
| C28 | O5 | C29 | H31 | 60.0° | 179.9° |
| O5 | C28 | C30 | H32 | 0.5° | 0.1° |
| C28 | C30 | C31 | H32 | 180.0° | 179.8° |
| C30 | C28 | C27 | C26 | 2.0° | 0.0° |
| C28 | C30 | C31 | C25 | 0.6° | 0.5° |
| C30 | C28 | C27 | H28 | 178.0° | 180.0° |
| C28 | C30 | C31 | H33 | 179.4° | 180.0° |
| C27 | C28 | C30 | C31 | 0.1° | 0.3° |
| C28 | C27 | C26 | H28 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 4.5° | 0.0° |
| C28 | C27 | C26 | H27 | 175.4° | 180.0° |
| C27 | C28 | C30 | H32 | 179.9° | 179.9° |
| C30 | C31 | C25 | H33 | 180.0° | 179.5° |
| C30 | C31 | C25 | C26 | 2.9° | 0.5° |
| C30 | C31 | C25 | N1 | 180.0° | 179.8° |
| C27 | C26 | C25 | C31 | 4.9° | 0.3° |
| C27 | C26 | C25 | H27 | 180.0° | 179.9° |
| C27 | C26 | C25 | N1 | 178.0° | 180.0° |
| C31 | C25 | C26 | N1 | 177.1° | 179.7° |
| C31 | C25 | N1 | S1 | 67.6° | 69.0° |
| C31 | C25 | N1 | C19 | 102.5° | 110.7° |
| C31 | C25 | C26 | H27 | 175.1° | 179.8° |
| C25 | C31 | C30 | H32 | 179.4° | 179.7° |
| C26 | C25 | N1 | S1 | 109.3° | 111.3° |
| C26 | C25 | N1 | C19 | 80.5° | 69.0° |
| C25 | C26 | C27 | H28 | 175.4° | 180.0° |
| C26 | C25 | C31 | H33 | 177.2° | 180.0° |
| O3 | C15 | C14 | C16 | 179.6° | 179.9° |
| O3 | C15 | C14 | C13 | 179.8° | 180.0° |
| O3 | C15 | C16 | C17 | 179.6° | 180.0° |
| O3 | C15 | C14 | H12 | 0.2° | 0.0° |
| O3 | C15 | C16 | H14 | 0.4° | 0.1° |
| O1 | S1 | N1 | C25 | 27.1° | 18.9° |
| O1 | S1 | N1 | C1 | 113.9° | 116.1° |
| O1 | S1 | N1 | O6 | 132.9° | 127.9° |
| O1 | S1 | N1 | C19 | 145.2° | 160.9° |
| O1 | S1 | C1 | C18 | 62.2° | 60.7° |
| O1 | S1 | C1 | O6 | 129.4° | 136.7° |
| O1 | S1 | C1 | C2 | 176.4° | 51.9° |
| O1 | S1 | C1 | H1 | 64.3° | 175.6° |
| C15 | C14 | C13 | H12 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.7° | 0.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | O3 | H13 | 180.0° | 90.1° |
| C15 | C14 | C13 | H11 | 179.3° | 179.9° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 1.1° | 0.1° |
| C14 | C13 | C12 | C11 | 179.3° | 179.7° |
| C25 | N1 | S1 | C19 | 172.2° | 179.7° |
| C25 | N1 | S1 | C1 | 86.8° | 97.2° |
| C25 | N1 | S1 | O6 | 159.9° | 146.7° |
| C25 | N1 | C19 | C24 | 36.0° | 56.4° |
| C25 | N1 | C19 | C20 | 93.9° | 63.6° |
| C25 | N1 | C19 | H16 | 149.2° | 176.4° |
| N1 | C25 | C26 | H27 | 2.0° | 0.1° |
| N1 | C25 | C31 | H33 | 0.0° | 0.3° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.3° | 0.1° |
| C16 | C15 | O3 | H13 | 0.4° | 90.0° |
| C16 | C15 | C14 | H12 | 179.8° | 179.9° |
| C15 | C16 | C17 | H15 | 179.7° | 179.7° |
| C13 | C12 | C11 | C18 | 21.1° | 65.3° |
| C13 | C12 | C17 | C16 | 0.9° | 0.1° |
| C13 | C12 | C17 | C11 | 178.3° | 179.7° |
| C13 | C12 | C11 | C4 | 161.5° | 114.8° |
| C12 | C13 | C14 | H12 | 179.3° | 180.0° |
| C13 | C12 | C17 | H15 | 179.1° | 179.7° |
| N1 | S1 | C1 | C18 | 50.2° | 172.4° |
| N1 | S1 | C1 | O6 | 118.2° | 111.6° |
| N1 | S1 | C1 | C2 | 63.9° | 59.8° |
| S1 | N1 | C19 | C24 | 134.8° | 123.4° |
| S1 | N1 | C19 | C20 | 95.3° | 116.7° |
| N1 | S1 | C1 | H1 | 176.7° | 63.9° |
| S1 | N1 | C19 | H16 | 21.6° | 3.3° |
| C19 | N1 | S1 | C1 | 100.9° | 83.0° |
| C19 | N1 | S1 | O6 | 12.3° | 33.0° |
| N1 | C19 | C24 | C20 | 138.8° | 120.0° |
| N1 | C19 | C24 | H16 | 113.5° | 120.0° |
| N1 | C19 | C24 | C23 | 157.1° | 180.0° |
| N1 | C19 | C20 | H16 | 117.2° | 120.0° |
| N1 | C19 | C20 | C21 | 155.0° | 180.0° |
| N1 | C19 | C20 | H17 | 33.9° | 60.0° |
| N1 | C19 | C20 | H18 | 83.9° | 60.0° |
| N1 | C19 | C24 | H26 | 36.5° | 60.0° |
| N1 | C19 | C24 | H25 | 82.3° | 60.0° |
| O4 | C18 | C1 | C11 | 104.2° | 104.4° |
| O4 | C18 | C1 | H3 | 125.5° | 126.0° |
| O4 | C18 | C11 | H3 | 130.9° | 126.1° |
| O4 | C18 | C1 | S1 | 69.4° | 83.4° |
| O4 | C18 | C11 | C12 | 151.0° | 147.9° |
| O4 | C18 | C1 | C2 | 44.7° | 34.8° |
| O4 | C18 | C11 | C4 | 27.1° | 32.1° |
| C18 | O4 | C3 | C4 | 48.5° | 50.6° |
| C18 | O4 | C3 | C2 | 54.3° | 57.3° |
| O4 | C18 | C1 | H1 | 166.2° | 152.9° |
| C18 | O4 | C3 | H2 | 176.4° | 176.5° |
| C1 | C18 | C11 | H3 | 130.0° | 129.2° |
| C18 | C1 | S1 | C2 | 114.1° | 112.6° |
| C18 | C1 | S1 | H1 | 126.6° | 123.7° |
| C18 | C1 | S1 | O6 | 168.4° | 76.0° |
| C1 | C18 | C11 | C12 | 109.9° | 107.5° |
| C1 | C18 | O4 | C3 | 60.2° | 57.4° |
| C18 | C1 | C2 | H1 | 121.6° | 118.1° |
| C1 | C18 | C11 | C4 | 71.9° | 72.6° |
| C18 | C1 | C2 | C3 | 13.7° | 0.0° |
| C18 | C1 | C2 | H5 | 104.4° | 118.2° |
| C18 | C1 | C2 | H4 | 131.7° | 118.2° |
| C11 | C18 | C1 | S1 | 173.6° | 172.2° |
| C18 | C11 | C12 | C17 | 157.2° | 115.0° |
| C18 | C11 | C12 | C4 | 177.5° | 179.9° |
| C11 | C18 | O4 | C3 | 47.0° | 50.6° |
| C11 | C18 | C1 | C2 | 59.6° | 69.6° |
| C18 | C11 | C4 | C3 | 2.4° | 0.1° |
| C18 | C11 | C4 | C5 | 145.8° | 180.0° |
| C11 | C18 | C1 | H1 | 62.0° | 48.5° |
| S1 | C1 | C2 | H1 | 116.5° | 123.7° |
| S1 | C1 | C2 | C3 | 108.1° | 118.2° |
| S1 | C1 | C2 | H5 | 133.8° | 123.6° |
| S1 | C1 | C2 | H4 | 9.9° | 0.0° |
| S1 | C1 | C18 | H3 | 56.1° | 42.6° |
| O6 | S1 | C1 | C2 | 54.3° | 171.4° |
| O6 | S1 | C1 | H1 | 65.0° | 47.7° |
| C16 | C17 | C12 | H15 | 180.0° | 179.8° |
| C16 | C17 | C12 | C11 | 179.1° | 179.8° |
| C17 | C12 | C11 | C4 | 20.3° | 64.9° |
| C17 | C12 | C13 | H11 | 178.9° | 180.0° |
| C12 | C17 | C16 | H14 | 179.6° | 180.0° |
| C12 | C11 | C4 | C3 | 179.9° | 180.0° |
| C12 | C11 | C4 | C5 | 36.5° | 0.1° |
| C11 | C12 | C13 | H11 | 0.7° | 0.3° |
| C11 | C12 | C17 | H15 | 0.9° | 0.0° |
| C12 | C11 | C18 | H3 | 20.1° | 21.7° |
| O4 | C3 | C2 | C1 | 21.9° | 34.7° |
| O4 | C3 | C4 | C11 | 31.0° | 32.3° |
| O4 | C3 | C4 | C2 | 106.2° | 104.6° |
| O4 | C3 | C4 | H2 | 129.5° | 126.5° |
| O4 | C3 | C2 | H2 | 131.0° | 126.8° |
| O4 | C3 | C4 | C5 | 178.8° | 147.9° |
| O4 | C3 | C2 | H5 | 140.0° | 152.9° |
| O4 | C3 | C2 | H4 | 96.1° | 83.5° |
| C3 | O4 | C18 | H3 | 176.4° | 176.9° |
| C1 | C2 | C3 | C4 | 82.5° | 69.6° |
| C1 | C2 | C3 | H5 | 118.1° | 118.2° |
| C1 | C2 | C3 | H4 | 118.1° | 118.2° |
| C1 | C2 | H5 | H4 | 125.5° | 123.7° |
| C1 | C2 | C3 | H2 | 152.9° | 161.5° |
| C2 | C1 | C18 | H3 | 170.1° | 160.8° |
| C19 | C24 | C23 | H26 | 120.6° | 119.9° |
| C19 | C24 | C23 | H25 | 120.6° | 120.0° |
| C24 | C19 | C20 | H16 | 107.9° | 120.0° |
| C19 | C24 | C23 | C22 | 56.7° | 60.0° |
| C24 | C19 | C20 | C21 | 20.0° | 60.1° |
| C24 | C19 | C20 | H17 | 101.1° | 60.0° |
| C24 | C19 | C20 | H18 | 141.2° | 180.0° |
| C19 | C24 | C23 | H24 | 64.0° | 180.0° |
| C19 | C24 | C23 | H23 | 177.3° | 60.0° |
| C19 | C24 | H26 | H25 | 118.1° | 120.0° |
| C23 | C24 | C19 | C20 | 64.2° | 60.0° |
| C24 | C23 | C22 | H24 | 120.7° | 119.9° |
| C24 | C23 | C22 | H23 | 120.6° | 120.0° |
| C24 | C23 | C22 | C21 | 0.2° | 60.0° |
| C23 | C24 | C19 | H16 | 43.6° | 60.0° |
| C24 | C23 | C22 | H22 | 120.4° | 60.0° |
| C24 | C23 | C22 | H21 | 119.9° | 179.9° |
| C24 | C23 | H24 | H23 | 117.9° | 120.0° |
| C23 | C24 | H26 | H25 | 118.1° | 120.0° |
| C11 | C4 | C3 | C5 | 147.9° | 179.9° |
| C11 | C4 | C3 | C2 | 75.2° | 72.4° |
| C11 | C4 | C5 | C10 | 22.1° | 64.9° |
| C11 | C4 | C5 | C6 | 158.9° | 114.8° |
| C11 | C4 | C3 | H2 | 160.5° | 158.8° |
| C4 | C11 | C18 | H3 | 158.0° | 158.2° |
| C19 | C20 | C21 | H17 | 121.1° | 120.1° |
| C19 | C20 | C21 | H18 | 121.1° | 119.9° |
| C19 | C20 | C21 | C22 | 32.5° | 60.0° |
| C19 | C20 | H17 | H18 | 116.5° | 120.0° |
| C19 | C20 | C21 | H20 | 88.7° | 180.0° |
| C19 | C20 | C21 | H19 | 153.7° | 60.0° |
| C20 | C19 | C24 | H26 | 175.2° | 180.0° |
| C20 | C19 | C24 | H25 | 56.4° | 60.0° |
| C4 | C3 | C2 | H2 | 124.6° | 128.8° |
| C3 | C4 | C5 | C10 | 117.1° | 115.0° |
| C3 | C4 | C5 | C6 | 61.9° | 65.3° |
| C4 | C3 | C2 | H5 | 35.5° | 48.6° |
| C4 | C3 | C2 | H4 | 159.4° | 172.2° |
| C2 | C3 | C4 | C5 | 72.7° | 107.5° |
| C3 | C2 | H5 | H4 | 125.5° | 123.7° |
| C3 | C2 | C1 | H1 | 135.3° | 118.1° |
| C23 | C22 | C21 | C20 | 42.4° | 60.0° |
| C23 | C22 | C21 | H22 | 120.1° | 120.0° |
| C23 | C22 | C21 | H21 | 120.1° | 120.0° |
| C23 | C22 | C21 | H20 | 78.8° | 180.0° |
| C23 | C22 | C21 | H19 | 163.7° | 60.0° |
| C23 | C22 | H22 | H21 | 119.7° | 120.0° |
| C22 | C23 | H24 | H23 | 118.0° | 120.0° |
| C22 | C23 | C24 | H26 | 177.3° | 180.0° |
| C22 | C23 | C24 | H25 | 64.0° | 60.0° |
| C4 | C5 | C10 | C6 | 179.0° | 179.7° |
| C4 | C5 | C10 | C9 | 179.9° | 179.8° |
| C4 | C5 | C6 | C7 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 0.4° | 0.1° |
| C5 | C4 | C3 | H2 | 51.7° | 21.3° |
| C4 | C5 | C10 | H10 | 0.1° | 0.0° |
| C20 | C21 | C22 | H20 | 121.2° | 120.0° |
| C20 | C21 | C22 | H19 | 121.2° | 120.0° |
| C21 | C20 | C19 | H16 | 87.8° | 60.0° |
| C21 | C20 | H17 | H18 | 116.4° | 120.0° |
| C20 | C21 | H20 | H19 | 116.1° | 120.0° |
| C20 | C21 | C22 | H22 | 77.7° | 60.0° |
| C20 | C21 | C22 | H21 | 162.5° | 180.0° |
| C22 | C21 | C20 | H17 | 153.6° | 60.0° |
| C22 | C21 | C20 | H18 | 88.7° | 180.0° |
| C22 | C21 | H20 | H19 | 116.1° | 120.0° |
| C21 | C22 | H22 | H21 | 119.7° | 120.0° |
| C21 | C22 | C23 | H24 | 120.5° | 180.0° |
| C21 | C22 | C23 | H23 | 120.9° | 60.0° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C10 | C5 | C6 | C7 | 0.6° | 0.3° |
| C5 | C10 | C9 | C8 | 0.8° | 0.5° |
| C10 | C5 | C6 | H6 | 179.4° | 179.8° |
| C5 | C10 | C9 | H9 | 179.2° | 179.8° |
| C6 | C5 | C10 | C9 | 0.9° | 0.5° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C6 | C5 | C10 | H10 | 179.1° | 179.7° |
| C10 | C9 | C8 | H9 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.4° | 0.2° |
| C10 | C9 | C8 | O2 | 179.8° | 179.7° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | O2 | 179.4° | 180.0° |
| C9 | C8 | C7 | O2 | 179.4° | 180.0° |
| C9 | C8 | O2 | H8 | 180.0° | 90.0° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.2° | 179.7° |
| C8 | C7 | C6 | H6 | 179.8° | 180.0° |
| C7 | C8 | O2 | H8 | 0.6° | 90.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| O2 | C8 | C7 | H7 | 0.6° | 0.0° |
| O2 | C8 | C9 | H9 | 0.2° | 0.0° |
| H5 | C2 | C1 | H1 | 17.3° | 0.1° |
| H5 | C2 | C3 | H2 | 89.0° | 80.3° |
| H4 | C2 | C1 | H1 | 106.6° | 123.7° |
| H4 | C2 | C3 | H2 | 34.9° | 43.3° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H1 | C1 | C18 | H3 | 68.3° | 81.1° |
| H9 | C9 | C10 | H10 | 0.8° | 0.0° |
| H11 | C13 | C14 | H12 | 0.7° | 0.0° |
| H14 | C16 | C17 | H15 | 0.4° | 0.2° |
| H16 | C19 | C20 | H17 | 151.0° | 180.0° |
| H16 | C19 | C20 | H18 | 33.3° | 60.0° |
| H16 | C19 | C24 | H26 | 77.0° | 60.0° |
| H16 | C19 | C24 | H25 | 164.2° | 180.0° |
| H17 | C20 | C21 | H20 | 32.4° | 60.0° |
| H17 | C20 | C21 | H19 | 85.1° | 180.0° |
| H18 | C20 | C21 | H20 | 150.1° | 60.0° |
| H18 | C20 | C21 | H19 | 32.6° | 60.0° |
| H20 | C21 | C22 | H22 | 161.1° | 60.0° |
| H20 | C21 | C22 | H21 | 41.3° | 60.0° |
| H19 | C21 | C22 | H22 | 43.5° | 180.0° |
| H19 | C21 | C22 | H21 | 76.3° | 60.0° |
| H22 | C22 | C23 | H24 | 0.3° | 60.0° |
| H22 | C22 | C23 | H23 | 119.0° | 180.0° |
| H21 | C22 | C23 | H24 | 119.5° | 60.0° |
| H21 | C22 | C23 | H23 | 0.8° | 60.1° |
| H24 | C23 | C24 | H26 | 56.6° | 60.1° |
| H24 | C23 | C24 | H25 | 175.4° | 60.0° |
| H23 | C23 | C24 | H26 | 62.1° | 59.9° |
| H23 | C23 | C24 | H25 | 56.7° | 180.0° |
| H27 | C26 | C27 | H28 | 4.6° | 0.0° |
| H30 | C29 | H29 | H31 | 120.0° | 119.9° |
| H32 | C30 | C31 | H33 | 0.6° | 0.2° |
