A1LWM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C15 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.59Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | C20 | doub | 1.31Å | 1.34Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.51Å | 1.57Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.51Å | 1.56Å | |
| C25 | C23 | doub | 1.31Å | 1.32Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C24 | C27 | sing | 1.53Å | 1.53Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.07Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | O1 | sing | 1.43Å | 13.43Å | |
| C11 | C2 | sing | 1.53Å | 13.43Å | |
| C2 | C1 | sing | 1.51Å | 0.00Å | |
| C1 | N1 | sing | 1.35Å | 0.00Å | |
| C2 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C1 | O2 | doub | 1.21Å | 0.00Å | |
| N1 | C6 | sing | 1.47Å | 0.00Å | |
| C6 | C7 | sing | 1.54Å | 0.00Å | |
| C7 | O3 | sing | 1.46Å | 0.00Å | |
| O3 | C3 | sing | 1.34Å | 0.00Å | |
| C3 | N1 | sing | 1.34Å | 0.00Å | |
| C3 | O4 | doub | 1.22Å | 0.00Å | |
| C6 | C8 | sing | 1.53Å | 0.00Å | |
| C7 | C9 | sing | 1.51Å | 0.00Å | |
| C9 | C10 | sing | 1.38Å | 0.00Å | Aromatic |
| C10 | C13 | doub | 1.38Å | 0.00Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 0.00Å | Aromatic |
| C14 | C28 | doub | 1.38Å | 0.00Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 0.00Å | Aromatic |
| C29 | C9 | doub | 1.38Å | 0.00Å | Aromatic |
| O1 | H8 | sing | 0.97Å | 0.00Å | |
| C2 | H9 | sing | 1.09Å | 0.00Å | |
| C4 | H29 | sing | 1.09Å | 0.00Å | |
| C4 | H30 | sing | 1.09Å | 0.00Å | |
| C5 | H31 | sing | 1.09Å | 0.00Å | |
| C5 | H32 | sing | 1.09Å | 0.00Å | |
| C5 | H33 | sing | 1.09Å | 0.00Å | |
| C6 | H34 | sing | 1.09Å | 0.00Å | |
| C7 | H35 | sing | 1.09Å | 0.00Å | |
| C8 | H36 | sing | 1.09Å | 0.00Å | |
| C8 | H37 | sing | 1.09Å | 0.00Å | |
| C8 | H38 | sing | 1.09Å | 0.00Å | |
| C10 | H39 | sing | 1.08Å | 0.00Å | |
| C13 | H40 | sing | 1.08Å | 0.00Å | |
| C14 | H41 | sing | 1.08Å | 0.00Å | |
| C28 | H42 | sing | 1.08Å | 0.00Å | |
| C29 | H43 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C15 | 106.9° | 109.5° |
| C11 | C12 | C16 | 107.2° | 109.5° |
| C11 | C12 | H1 | 109.1° | 109.5° |
| C12 | C11 | H7 | 109.5° | 109.5° |
| C12 | C11 | O1 | 67.7° | 109.5° |
| C12 | C11 | C2 | 67.7° | 109.5° |
| C15 | C12 | C16 | 114.7° | 109.5° |
| C15 | C12 | H1 | 109.7° | 109.5° |
| C12 | C15 | H2 | 109.5° | 109.5° |
| C12 | C15 | H3 | 109.4° | 109.5° |
| C12 | C15 | H4 | 109.5° | 109.4° |
| C12 | C16 | C17 | 118.3° | 109.4° |
| C16 | C12 | H1 | 109.1° | 109.4° |
| C12 | C16 | H5 | 107.2° | 109.5° |
| C12 | C16 | H6 | 107.2° | 109.5° |
| C16 | C17 | C18 | 124.5° | 120.0° |
| C16 | C17 | C20 | 114.8° | 120.0° |
| C17 | C16 | H5 | 107.2° | 109.4° |
| C17 | C16 | H6 | 107.2° | 109.5° |
| C18 | C17 | C20 | 120.7° | 120.0° |
| C17 | C18 | C19 | 110.8° | 109.5° |
| C17 | C18 | H10 | 109.1° | 109.4° |
| C17 | C18 | H11 | 109.1° | 109.5° |
| C17 | C20 | C21 | 125.3° | 120.0° |
| C17 | C20 | H15 | 117.3° | 120.0° |
| C19 | C18 | H10 | 109.1° | 109.4° |
| C19 | C18 | H11 | 109.1° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.4° | 109.5° |
| C20 | C21 | C22 | 107.3° | 109.5° |
| C21 | C20 | H15 | 117.4° | 120.0° |
| C20 | C21 | H16 | 110.0° | 109.5° |
| C20 | C21 | H17 | 110.0° | 109.5° |
| C21 | C22 | C23 | 116.8° | 109.5° |
| C22 | C21 | H16 | 110.0° | 109.5° |
| C22 | C21 | H17 | 110.0° | 109.4° |
| C21 | C22 | H18 | 107.6° | 109.4° |
| C21 | C22 | H19 | 107.6° | 109.4° |
| C22 | C23 | C25 | 113.7° | 120.0° |
| C22 | C23 | C24 | 125.5° | 120.0° |
| C23 | C22 | H18 | 107.6° | 109.5° |
| C23 | C22 | H19 | 107.6° | 109.5° |
| C23 | C25 | C26 | 120.6° | 120.0° |
| C25 | C23 | C24 | 120.8° | 120.0° |
| C23 | C25 | H22 | 119.7° | 119.9° |
| C26 | C25 | H22 | 119.7° | 120.0° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| C25 | C26 | H24 | 109.5° | 109.4° |
| C25 | C26 | H25 | 109.5° | 109.5° |
| C23 | C24 | C27 | 110.8° | 109.5° |
| C23 | C24 | H20 | 109.1° | 109.5° |
| C23 | C24 | H21 | 109.1° | 109.5° |
| C27 | C24 | H20 | 109.1° | 109.5° |
| C27 | C24 | H21 | 109.1° | 109.4° |
| C24 | C27 | H26 | 109.5° | 109.5° |
| C24 | C27 | H27 | 109.5° | 109.5° |
| C24 | C27 | H28 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H4 | 109.4° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C11 | O1 | 54.3° | 109.4° |
| H7 | C11 | C2 | 54.3° | 109.4° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.4° | 109.5° |
| H20 | C24 | H21 | 109.4° | 109.4° |
| H23 | C26 | H24 | 109.4° | 109.4° |
| H23 | C26 | H25 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.4° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H28 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| O1 | C11 | C2 | NaN° | 109.5° |
| C11 | O1 | H8 | 90.0° | 114.0° |
| C11 | C2 | C1 | 90.0° | 109.5° |
| C11 | C2 | C4 | 90.0° | 109.5° |
| C11 | C2 | H9 | 90.0° | 109.5° |
| C2 | C1 | N1 | 90.0° | 120.0° |
| C1 | C2 | C4 | 90.0° | 109.4° |
| C2 | C1 | O2 | 90.0° | 120.0° |
| C1 | C2 | H9 | 90.0° | 109.5° |
| N1 | C1 | O2 | 90.0° | 120.0° |
| C1 | N1 | C6 | 90.0° | 125.5° |
| C1 | N1 | C3 | 90.0° | 125.5° |
| C2 | C4 | C5 | 90.0° | 109.4° |
| C4 | C2 | H9 | 90.0° | 109.5° |
| C2 | C4 | H29 | 90.0° | 109.5° |
| C2 | C4 | H30 | 90.0° | 109.5° |
| C5 | C4 | H29 | 90.0° | 109.5° |
| C5 | C4 | H30 | 90.0° | 109.5° |
| C4 | C5 | H31 | 90.0° | 109.5° |
| C4 | C5 | H32 | 90.0° | 109.5° |
| C4 | C5 | H33 | 90.0° | 109.5° |
| N1 | C6 | C7 | 90.0° | 103.7° |
| C6 | N1 | C3 | 90.0° | 108.9° |
| N1 | C6 | C8 | 90.0° | 110.6° |
| N1 | C6 | H34 | 90.0° | 110.6° |
| C6 | C7 | O3 | 90.0° | 104.0° |
| C7 | C6 | C8 | 90.0° | 110.5° |
| C6 | C7 | C9 | 90.0° | 110.6° |
| C7 | C6 | H34 | 90.0° | 110.5° |
| C6 | C7 | H35 | 90.0° | 110.5° |
| C7 | O3 | C3 | 90.0° | 109.4° |
| O3 | C7 | C9 | 90.0° | 110.5° |
| O3 | C7 | H35 | 90.0° | 110.5° |
| O3 | C3 | N1 | 90.0° | 113.9° |
| O3 | C3 | O4 | 90.0° | 123.0° |
| N1 | C3 | O4 | 90.0° | 123.1° |
| C8 | C6 | H34 | 90.0° | 110.6° |
| C6 | C8 | H36 | 90.0° | 109.4° |
| C6 | C8 | H37 | 90.0° | 109.5° |
| C6 | C8 | H38 | 90.0° | 109.5° |
| C7 | C9 | C10 | 90.0° | 120.0° |
| C7 | C9 | C29 | 90.0° | 120.0° |
| C9 | C7 | H35 | 90.0° | 110.6° |
| C9 | C10 | C13 | 90.0° | 120.0° |
| C10 | C9 | C29 | 90.0° | 120.0° |
| C9 | C10 | H39 | 90.0° | 120.0° |
| C10 | C13 | C14 | 90.0° | 120.0° |
| C13 | C10 | H39 | 90.0° | 120.0° |
| C10 | C13 | H40 | 90.0° | 120.0° |
| C13 | C14 | C28 | 90.0° | 120.0° |
| C14 | C13 | H40 | 90.0° | 120.0° |
| C13 | C14 | H41 | 90.0° | 120.0° |
| C14 | C28 | C29 | 90.0° | 120.0° |
| C28 | C14 | H41 | 90.0° | 120.0° |
| C14 | C28 | H42 | 90.0° | 120.0° |
| C28 | C29 | C9 | 90.0° | 120.0° |
| C29 | C28 | H42 | 90.0° | 120.0° |
| C28 | C29 | H43 | 90.0° | 120.0° |
| C9 | C29 | H43 | 90.0° | 120.0° |
| H29 | C4 | H30 | 90.0° | 109.5° |
| H31 | C5 | H32 | 90.0° | 109.5° |
| H31 | C5 | H33 | 90.0° | 109.5° |
| H32 | C5 | H33 | 90.0° | 109.4° |
| H36 | C8 | H37 | 90.0° | 109.4° |
| H36 | C8 | H38 | 90.0° | 109.5° |
| H37 | C8 | H38 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C15 | C16 | 118.7° | 120.0° |
| C11 | C12 | C15 | H1 | 118.2° | 120.0° |
| C11 | C12 | C16 | H1 | 118.0° | 120.0° |
| C11 | C12 | C16 | C17 | 175.0° | 175.0° |
| C11 | C12 | C15 | H2 | 180.0° | 57.1° |
| C11 | C12 | C15 | H3 | 60.0° | 177.1° |
| C11 | C12 | C15 | H4 | 60.0° | 62.9° |
| C11 | C12 | C16 | H5 | 63.8° | 65.1° |
| C11 | C12 | C16 | H6 | 53.7° | 55.0° |
| C12 | C11 | H7 | O1 | 41.3° | 120.0° |
| C12 | C11 | H7 | C2 | 41.3° | 120.0° |
| C12 | C11 | O1 | C2 | 90.0° | 120.0° |
| C12 | C11 | C2 | C1 | 90.0° | 54.6° |
| C12 | C11 | C2 | C4 | 90.0° | 174.6° |
| C12 | C11 | O1 | H8 | 90.0° | 60.0° |
| C12 | C11 | C2 | H9 | 90.0° | 65.4° |
| C15 | C12 | C16 | H1 | 123.5° | 120.0° |
| C15 | C12 | C16 | C17 | 66.5° | 65.0° |
| C12 | C15 | H2 | H3 | 120.0° | 120.0° |
| C12 | C15 | H2 | H4 | 120.0° | 120.0° |
| C12 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C12 | C16 | H5 | 54.7° | 55.0° |
| C15 | C12 | C16 | H6 | 172.2° | 175.0° |
| C15 | C12 | C11 | H7 | 61.6° | 175.2° |
| C15 | C12 | C11 | O1 | 97.0° | 55.2° |
| C15 | C12 | C11 | C2 | 97.0° | 64.8° |
| C12 | C16 | C17 | H5 | 121.3° | 119.9° |
| C12 | C16 | C17 | H6 | 121.3° | 120.0° |
| C12 | C16 | C17 | C18 | 47.0° | 85.1° |
| C12 | C16 | C17 | C20 | 131.2° | 95.0° |
| C16 | C12 | C15 | H2 | 61.3° | 62.9° |
| C16 | C12 | C15 | H3 | 178.7° | 57.1° |
| C16 | C12 | C15 | H4 | 58.7° | 177.1° |
| C12 | C16 | H5 | H6 | 116.0° | 120.0° |
| C16 | C12 | C11 | H7 | 61.8° | 55.2° |
| C16 | C12 | C11 | O1 | 26.4° | 64.8° |
| C16 | C12 | C11 | C2 | 26.4° | 175.2° |
| C16 | C17 | C18 | C20 | 178.1° | 179.9° |
| C16 | C17 | C18 | C19 | 91.6° | 87.3° |
| C16 | C17 | C20 | C21 | 179.8° | 176.6° |
| C17 | C16 | C12 | H1 | 57.0° | 55.0° |
| C17 | C16 | H5 | H6 | 116.0° | 120.1° |
| C16 | C17 | C18 | H10 | 28.6° | 32.7° |
| C16 | C17 | C18 | H11 | 148.2° | 152.7° |
| C16 | C17 | C20 | H15 | 0.2° | 3.4° |
| C17 | C18 | C19 | H10 | 120.2° | 120.0° |
| C17 | C18 | C19 | H11 | 120.2° | 120.0° |
| C18 | C17 | C20 | C21 | 1.9° | 3.3° |
| C18 | C17 | C16 | H5 | 74.3° | 155.0° |
| C18 | C17 | C16 | H6 | 168.3° | 35.0° |
| C17 | C18 | H10 | H11 | 119.4° | 120.0° |
| C17 | C18 | C19 | H12 | 180.0° | 180.0° |
| C17 | C18 | C19 | H13 | 60.0° | 60.0° |
| C17 | C18 | C19 | H14 | 60.0° | 59.9° |
| C18 | C17 | C20 | H15 | 178.1° | 176.7° |
| C20 | C17 | C18 | C19 | 86.5° | 92.6° |
| C17 | C20 | C21 | H15 | 180.0° | 180.0° |
| C17 | C20 | C21 | C22 | 71.0° | 120.5° |
| C20 | C17 | C16 | H5 | 107.5° | 24.9° |
| C20 | C17 | C16 | H6 | 9.9° | 144.9° |
| C20 | C17 | C18 | H10 | 153.3° | 147.4° |
| C20 | C17 | C18 | H11 | 33.7° | 27.4° |
| C17 | C20 | C21 | H16 | 169.3° | 119.5° |
| C17 | C20 | C21 | H17 | 48.7° | 0.5° |
| C19 | C18 | H10 | H11 | 119.4° | 120.0° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C18 | C19 | H12 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H14 | 119.9° | 120.0° |
| C20 | C21 | C22 | H16 | 119.7° | 120.0° |
| C20 | C21 | C22 | H17 | 119.6° | 120.0° |
| C20 | C21 | C22 | C23 | 176.1° | 180.0° |
| C20 | C21 | H16 | H17 | 120.9° | 120.0° |
| C20 | C21 | C22 | H18 | 62.8° | 60.0° |
| C20 | C21 | C22 | H19 | 55.0° | 60.0° |
| C21 | C22 | C23 | H18 | 121.1° | 119.9° |
| C21 | C22 | C23 | H19 | 121.1° | 120.0° |
| C21 | C22 | C23 | C25 | 154.5° | 95.0° |
| C21 | C22 | C23 | C24 | 26.3° | 85.0° |
| C22 | C21 | C20 | H15 | 109.0° | 59.5° |
| C22 | C21 | H16 | H17 | 121.0° | 119.9° |
| C21 | C22 | H18 | H19 | 116.7° | 119.9° |
| C22 | C23 | C25 | C24 | 179.3° | 179.9° |
| C22 | C23 | C25 | C26 | 178.8° | 180.0° |
| C22 | C23 | C24 | C27 | 75.9° | 85.0° |
| C23 | C22 | C21 | H16 | 56.4° | 60.0° |
| C23 | C22 | C21 | H17 | 64.3° | 59.9° |
| C23 | C22 | H18 | H19 | 116.7° | 120.1° |
| C22 | C23 | C24 | H20 | 44.3° | 35.1° |
| C22 | C23 | C24 | H21 | 163.9° | 155.0° |
| C22 | C23 | C25 | H22 | 1.2° | 0.0° |
| C23 | C25 | C26 | H22 | 180.0° | 180.0° |
| C25 | C23 | C24 | C27 | 104.9° | 95.0° |
| C25 | C23 | C22 | H18 | 84.5° | 24.9° |
| C25 | C23 | C22 | H19 | 33.4° | 145.0° |
| C25 | C23 | C24 | H20 | 134.9° | 145.0° |
| C25 | C23 | C24 | H21 | 15.3° | 25.0° |
| C23 | C25 | C26 | H23 | 180.0° | 60.0° |
| C23 | C25 | C26 | H24 | 60.0° | 60.0° |
| C23 | C25 | C26 | H25 | 60.0° | 180.0° |
| C26 | C25 | C23 | C24 | 2.0° | 0.0° |
| C25 | C26 | H23 | H24 | 120.0° | 119.9° |
| C25 | C26 | H23 | H25 | 120.0° | 120.1° |
| C25 | C26 | H24 | H25 | 120.0° | 120.0° |
| C23 | C24 | C27 | H20 | 120.2° | 120.1° |
| C23 | C24 | C27 | H21 | 120.2° | 120.0° |
| C24 | C23 | C22 | H18 | 94.8° | 155.0° |
| C24 | C23 | C22 | H19 | 147.4° | 34.9° |
| C23 | C24 | H20 | H21 | 119.4° | 120.0° |
| C24 | C23 | C25 | H22 | 178.0° | 180.0° |
| C23 | C24 | C27 | H26 | 180.0° | 60.0° |
| C23 | C24 | C27 | H27 | 60.0° | 180.0° |
| C23 | C24 | C27 | H28 | 60.0° | 59.9° |
| C27 | C24 | H20 | H21 | 119.4° | 119.9° |
| C24 | C27 | H26 | H27 | 120.0° | 120.1° |
| C24 | C27 | H26 | H28 | 120.0° | 120.0° |
| C24 | C27 | H27 | H28 | 120.0° | 120.1° |
| H1 | C12 | C15 | H2 | 61.8° | 177.1° |
| H1 | C12 | C15 | H3 | 58.2° | 62.9° |
| H1 | C12 | C15 | H4 | 178.2° | 57.1° |
| H1 | C12 | C16 | H5 | 178.2° | 174.9° |
| H1 | C12 | C16 | H6 | 64.3° | 65.0° |
| H1 | C12 | C11 | H7 | 179.8° | 64.8° |
| H1 | C12 | C11 | O1 | 144.4° | 175.2° |
| H1 | C12 | C11 | C2 | 144.4° | 55.2° |
| H2 | C15 | H3 | H4 | 120.0° | 120.0° |
| H7 | C11 | O1 | C2 | 90.0° | 119.9° |
| H7 | C11 | C2 | C1 | 90.0° | 65.5° |
| H7 | C11 | C2 | C4 | 90.0° | 54.5° |
| H7 | C11 | O1 | H8 | 90.0° | 179.9° |
| H7 | C11 | C2 | H9 | 90.0° | 174.6° |
| H10 | C18 | C19 | H12 | 59.8° | 60.1° |
| H10 | C18 | C19 | H13 | 179.8° | 180.0° |
| H10 | C18 | C19 | H14 | 60.2° | 60.0° |
| H11 | C18 | C19 | H12 | 59.8° | 59.9° |
| H11 | C18 | C19 | H13 | 60.2° | 60.0° |
| H11 | C18 | C19 | H14 | 179.8° | 180.0° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H15 | C20 | C21 | H16 | 10.7° | 60.5° |
| H15 | C20 | C21 | H17 | 131.3° | 179.5° |
| H16 | C21 | C22 | H18 | 177.5° | 180.0° |
| H16 | C21 | C22 | H19 | 64.7° | 60.1° |
| H17 | C21 | C22 | H18 | 56.8° | 60.0° |
| H17 | C21 | C22 | H19 | 174.6° | 180.0° |
| H20 | C24 | C27 | H26 | 59.8° | 60.1° |
| H20 | C24 | C27 | H27 | 179.8° | 60.0° |
| H20 | C24 | C27 | H28 | 60.2° | NaN° |
| H21 | C24 | C27 | H26 | 59.8° | 180.0° |
| H21 | C24 | C27 | H27 | 60.3° | 60.0° |
| H21 | C24 | C27 | H28 | 179.8° | 60.1° |
| H22 | C25 | C26 | H23 | 0.0° | 120.0° |
| H22 | C25 | C26 | H24 | 120.0° | 120.0° |
| H22 | C25 | C26 | H25 | 120.0° | 0.0° |
| H23 | C26 | H24 | H25 | 120.0° | 120.0° |
| H26 | C27 | H27 | H28 | 120.0° | 119.9° |
| O1 | C11 | C2 | C1 | 90.0° | 174.6° |
| O1 | C11 | C2 | C4 | 90.0° | 65.4° |
| O1 | C11 | C2 | H9 | 90.0° | 54.6° |
| C11 | C2 | C1 | C4 | 90.0° | 120.0° |
| C11 | C2 | C1 | H9 | 90.0° | 120.0° |
| C11 | C2 | C1 | N1 | 90.0° | 153.2° |
| C11 | C2 | C4 | H9 | 90.0° | 120.0° |
| C11 | C2 | C4 | C5 | 90.0° | 63.8° |
| C11 | C2 | C1 | O2 | 90.0° | 26.8° |
| C2 | C11 | O1 | H8 | 90.0° | 60.0° |
| C11 | C2 | C4 | H29 | 90.0° | 176.2° |
| C11 | C2 | C4 | H30 | 90.0° | 56.2° |
| C2 | C1 | N1 | O2 | 90.0° | 180.0° |
| C1 | C2 | C4 | H9 | 90.0° | 120.0° |
| C1 | C2 | C4 | C5 | 90.0° | 176.2° |
| C2 | C1 | N1 | C6 | 90.0° | 176.1° |
| C2 | C1 | N1 | C3 | 90.0° | 3.5° |
| C1 | C2 | C4 | H29 | 90.0° | 56.3° |
| C1 | C2 | C4 | H30 | 90.0° | 63.8° |
| N1 | C1 | C2 | C4 | 90.0° | 86.8° |
| C1 | N1 | C6 | C3 | 90.0° | 179.7° |
| C1 | N1 | C6 | C7 | 90.0° | 180.0° |
| C1 | N1 | C3 | O3 | 90.0° | 179.8° |
| C1 | N1 | C3 | O4 | 90.0° | 0.2° |
| C1 | N1 | C6 | C8 | 90.0° | 61.5° |
| N1 | C1 | C2 | H9 | 90.0° | 33.2° |
| C1 | N1 | C6 | H34 | 90.0° | 61.4° |
| C2 | C4 | C5 | H29 | 90.0° | 120.0° |
| C2 | C4 | C5 | H30 | 90.0° | 120.0° |
| C4 | C2 | C1 | O2 | 90.0° | 93.2° |
| C2 | C4 | H29 | H30 | 90.0° | 120.0° |
| C2 | C4 | C5 | H31 | 90.0° | 48.7° |
| C2 | C4 | C5 | H32 | 90.0° | 168.7° |
| C2 | C4 | C5 | H33 | 90.0° | 71.3° |
| C5 | C4 | C2 | H9 | 90.0° | 56.2° |
| C5 | C4 | H29 | H30 | 90.0° | 120.0° |
| C4 | C5 | H31 | H32 | 90.0° | 120.0° |
| C4 | C5 | H31 | H33 | 90.0° | 120.0° |
| C4 | C5 | H32 | H33 | 90.0° | 120.0° |
| O2 | C1 | N1 | C6 | 90.0° | 3.9° |
| O2 | C1 | N1 | C3 | 90.0° | 176.5° |
| O2 | C1 | C2 | H9 | 90.0° | 146.8° |
| N1 | C6 | C7 | C8 | 90.0° | 118.6° |
| N1 | C6 | C7 | H34 | 90.0° | 118.6° |
| N1 | C6 | C7 | O3 | 90.0° | 0.0° |
| C6 | N1 | C3 | O3 | 90.0° | 0.5° |
| C6 | N1 | C3 | O4 | 90.0° | 179.9° |
| N1 | C6 | C8 | H34 | 90.0° | 122.9° |
| N1 | C6 | C7 | C9 | 90.0° | 118.6° |
| N1 | C6 | C7 | H35 | 90.0° | 118.6° |
| N1 | C6 | C8 | H36 | 90.0° | 61.5° |
| N1 | C6 | C8 | H37 | 90.0° | 178.6° |
| N1 | C6 | C8 | H38 | 90.0° | 58.5° |
| C6 | C7 | O3 | C9 | 90.0° | 118.7° |
| C6 | C7 | O3 | H35 | 90.0° | 118.6° |
| C6 | C7 | O3 | C3 | 90.0° | 0.3° |
| C7 | C6 | N1 | C3 | 90.0° | 0.3° |
| C7 | C6 | C8 | H34 | 90.0° | 122.8° |
| C6 | C7 | C9 | H35 | 90.0° | 122.7° |
| C6 | C7 | C9 | C10 | 90.0° | 99.9° |
| C6 | C7 | C9 | C29 | 90.0° | 80.2° |
| C7 | C6 | C8 | H36 | 90.0° | 175.8° |
| C7 | C6 | C8 | H37 | 90.0° | 64.3° |
| C7 | C6 | C8 | H38 | 90.0° | 55.8° |
| C7 | O3 | C3 | N1 | 90.0° | 0.5° |
| C7 | O3 | C3 | O4 | 90.0° | 179.9° |
| O3 | C7 | C6 | C8 | 90.0° | 118.5° |
| O3 | C7 | C9 | H35 | 90.0° | 122.7° |
| O3 | C7 | C9 | C10 | 90.0° | 145.4° |
| O3 | C7 | C9 | C29 | 90.0° | 34.4° |
| O3 | C7 | C6 | H34 | 90.0° | 118.6° |
| O3 | C3 | N1 | O4 | 90.0° | 179.6° |
| C3 | O3 | C7 | C9 | 90.0° | 119.0° |
| C3 | O3 | C7 | H35 | 90.0° | 118.3° |
| C3 | N1 | C6 | C8 | 90.0° | 118.8° |
| C3 | N1 | C6 | H34 | 90.0° | 118.3° |
| C8 | C6 | C7 | C9 | 90.0° | 0.1° |
| C8 | C6 | C7 | H35 | 90.0° | 122.8° |
| C6 | C8 | H36 | H37 | 90.0° | 119.9° |
| C6 | C8 | H36 | H38 | 90.0° | 120.0° |
| C6 | C8 | H37 | H38 | 90.0° | 120.0° |
| C7 | C9 | C10 | C29 | 90.0° | 179.8° |
| C7 | C9 | C10 | C13 | 90.0° | 180.0° |
| C7 | C9 | C29 | C28 | 90.0° | 179.8° |
| C9 | C7 | C6 | H34 | 90.0° | 122.8° |
| C7 | C9 | C10 | H39 | 90.0° | 0.0° |
| C7 | C9 | C29 | H43 | 90.0° | 0.2° |
| C9 | C10 | C13 | H39 | 90.0° | 180.0° |
| C9 | C10 | C13 | C14 | 90.0° | 0.0° |
| C10 | C9 | C29 | C28 | 90.0° | 0.4° |
| C10 | C9 | C7 | H35 | 90.0° | 22.8° |
| C9 | C10 | C13 | H40 | 90.0° | 180.0° |
| C10 | C9 | C29 | H43 | 90.0° | 180.0° |
| C10 | C13 | C14 | H40 | 90.0° | 179.9° |
| C10 | C13 | C14 | C28 | 90.0° | 0.1° |
| C13 | C10 | C9 | C29 | 90.0° | 0.2° |
| C10 | C13 | C14 | H41 | 90.0° | 179.9° |
| C13 | C14 | C28 | H41 | 90.0° | 180.0° |
| C13 | C14 | C28 | C29 | 90.0° | 0.1° |
| C14 | C13 | C10 | H39 | 90.0° | 180.0° |
| C13 | C14 | C28 | H42 | 90.0° | 180.0° |
| C14 | C28 | C29 | H42 | 90.0° | 179.9° |
| C14 | C28 | C29 | C9 | 90.0° | 0.4° |
| C28 | C14 | C13 | H40 | 90.0° | 180.0° |
| C14 | C28 | C29 | H43 | 90.0° | 180.0° |
| C28 | C29 | C9 | H43 | 90.0° | 179.6° |
| C29 | C28 | C14 | H41 | 90.0° | 179.9° |
| C29 | C9 | C7 | H35 | 90.0° | 157.1° |
| C29 | C9 | C10 | H39 | 90.0° | 179.8° |
| C9 | C29 | C28 | H42 | 90.0° | 179.7° |
| H9 | C2 | C4 | H29 | 90.0° | 63.7° |
| H9 | C2 | C4 | H30 | 90.0° | 176.2° |
| H29 | C4 | C5 | H31 | 90.0° | 71.2° |
| H29 | C4 | C5 | H32 | 90.0° | 48.8° |
| H29 | C4 | C5 | H33 | 90.0° | 168.7° |
| H30 | C4 | C5 | H31 | 90.0° | 168.7° |
| H30 | C4 | C5 | H32 | 90.0° | 71.3° |
| H30 | C4 | C5 | H33 | 90.0° | 48.7° |
| H31 | C5 | H32 | H33 | 90.0° | 120.0° |
| H34 | C6 | C7 | H35 | 90.0° | 0.0° |
| H34 | C6 | C8 | H36 | 90.0° | 61.4° |
| H34 | C6 | C8 | H37 | 90.0° | 58.5° |
| H34 | C6 | C8 | H38 | 90.0° | 178.6° |
| H36 | C8 | H37 | H38 | 90.0° | 120.1° |
| H39 | C10 | C13 | H40 | 90.0° | 0.1° |
| H40 | C13 | C14 | H41 | 90.0° | 0.0° |
| H41 | C14 | C28 | H42 | 90.0° | 0.0° |
| H42 | C28 | C29 | H43 | 90.0° | 0.1° |
