A1I53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C27 | C22 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C15 | N1 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| N1 | C20 | sing | 1.34Å | 1.36Å | |
| N1 | C19 | sing | 1.47Å | 1.49Å | |
| O7 | C20 | doub | 1.21Å | 1.22Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| O6 | C14 | doub | 1.21Å | 1.20Å | |
| C21 | C4 | sing | 1.51Å | 1.52Å | |
| C14 | O5 | sing | 1.35Å | 1.32Å | |
| O5 | C12 | sing | 1.45Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | O2 | sing | 1.36Å | 1.36Å | |
| C6 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | O4 | sing | 1.43Å | 1.41Å | |
| C7 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| O4 | C10 | sing | 1.43Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C8 | O3 | sing | 1.36Å | 1.39Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| O3 | C9 | sing | 1.43Å | 1.46Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 113.9° | 109.5° |
| C26 | C27 | C22 | 115.6° | 109.4° |
| C27 | C26 | H37 | 108.3° | 109.5° |
| C27 | C26 | H36 | 108.4° | 109.4° |
| C26 | C27 | H38 | 107.9° | 109.5° |
| C26 | C27 | H39 | 107.9° | 109.4° |
| C26 | C25 | C24 | 112.7° | 109.5° |
| C26 | C25 | H35 | 108.6° | 109.5° |
| C26 | C25 | H34 | 108.7° | 109.5° |
| C25 | C26 | H37 | 108.4° | 109.5° |
| C25 | C26 | H36 | 108.3° | 109.5° |
| C17 | C16 | C15 | 112.2° | 108.9° |
| C16 | C17 | C18 | 108.0° | 110.1° |
| C17 | C16 | H21 | 108.8° | 109.6° |
| C17 | C16 | H20 | 108.8° | 109.6° |
| C16 | C17 | H22 | 109.8° | 109.4° |
| C16 | C17 | H23 | 109.8° | 109.4° |
| C16 | C15 | N1 | 111.0° | 109.1° |
| C16 | C15 | C14 | 108.3° | 110.3° |
| C16 | C15 | H19 | 107.0° | 108.1° |
| C15 | C16 | H21 | 108.8° | 109.6° |
| C15 | C16 | H20 | 108.8° | 109.6° |
| C27 | C22 | C21 | 111.4° | 109.5° |
| C27 | C22 | C23 | 112.0° | 109.5° |
| C27 | C22 | H29 | 107.1° | 109.5° |
| C22 | C27 | H38 | 107.9° | 109.5° |
| C22 | C27 | H39 | 107.9° | 109.5° |
| C17 | C18 | C19 | 111.9° | 110.2° |
| C18 | C17 | H22 | 109.8° | 109.3° |
| C18 | C17 | H23 | 109.8° | 109.3° |
| C17 | C18 | H24 | 108.8° | 109.4° |
| C17 | C18 | H25 | 108.9° | 109.3° |
| C25 | C24 | C23 | 112.2° | 109.5° |
| C25 | C24 | H33 | 108.8° | 109.5° |
| C25 | C24 | H32 | 108.8° | 109.4° |
| C24 | C25 | H35 | 108.6° | 109.5° |
| C24 | C25 | H34 | 108.7° | 109.5° |
| C18 | C19 | N1 | 114.3° | 108.5° |
| C19 | C18 | H24 | 108.9° | 109.4° |
| C19 | C18 | H25 | 108.9° | 109.4° |
| C18 | C19 | H26 | 108.3° | 109.7° |
| C18 | C19 | H27 | 108.3° | 109.6° |
| N1 | C15 | C14 | 115.5° | 110.4° |
| C15 | N1 | C20 | 120.0° | 119.3° |
| C15 | N1 | C19 | 115.3° | 119.4° |
| N1 | C15 | H19 | 107.8° | 109.6° |
| C15 | C14 | O6 | 124.4° | 120.1° |
| C15 | C14 | O5 | 112.3° | 119.8° |
| C14 | C15 | H19 | 106.9° | 109.2° |
| C20 | N1 | C19 | 123.4° | 121.3° |
| N1 | C20 | O7 | 120.5° | 119.1° |
| N1 | C20 | C21 | 123.9° | 121.8° |
| N1 | C19 | H26 | 108.3° | 109.6° |
| N1 | C19 | H27 | 108.3° | 109.6° |
| O7 | C20 | C21 | 115.4° | 119.2° |
| C20 | C21 | C22 | 111.5° | 110.1° |
| C20 | C21 | C4 | 104.7° | 105.9° |
| C20 | C21 | H28 | 109.3° | 110.2° |
| C21 | C22 | C23 | 111.3° | 109.5° |
| C22 | C21 | C4 | 113.1° | 110.2° |
| C22 | C21 | H28 | 108.9° | 110.2° |
| C21 | C22 | H29 | 107.1° | 109.4° |
| C22 | C23 | C24 | 113.1° | 109.5° |
| C23 | C22 | H29 | 107.6° | 109.5° |
| C22 | C23 | H30 | 108.6° | 109.5° |
| C22 | C23 | H31 | 108.5° | 109.5° |
| C24 | C23 | H30 | 108.5° | 109.4° |
| C24 | C23 | H31 | 108.6° | 109.5° |
| C23 | C24 | H33 | 108.8° | 109.5° |
| C23 | C24 | H32 | 108.8° | 109.5° |
| O6 | C14 | O5 | 123.2° | 120.1° |
| C21 | C4 | C5 | 119.9° | 119.6° |
| C21 | C4 | C3 | 119.6° | 119.9° |
| C4 | C21 | H28 | 109.3° | 110.2° |
| C14 | O5 | C12 | 118.8° | 117.6° |
| O5 | C12 | C13 | 110.6° | 109.0° |
| O5 | C12 | C11 | 107.9° | 111.6° |
| O5 | C12 | H15 | 108.4° | 109.0° |
| C5 | C4 | C3 | 120.4° | 120.2° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C4 | C3 | C2 | 119.5° | 120.0° |
| C4 | C3 | H4 | 120.3° | 120.0° |
| C5 | C6 | O2 | 125.5° | 120.0° |
| C5 | C6 | C8 | 120.7° | 120.0° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C3 | C2 | C8 | 120.6° | 119.9° |
| C3 | C2 | O1 | 125.1° | 120.1° |
| C2 | C3 | H4 | 120.2° | 120.0° |
| C13 | C12 | C11 | 114.1° | 109.1° |
| C13 | C12 | H15 | 107.9° | 109.1° |
| C12 | C13 | H18 | 109.5° | 109.4° |
| C12 | C13 | H16 | 109.5° | 109.4° |
| C12 | C13 | H17 | 109.4° | 109.5° |
| C12 | C11 | O4 | 112.2° | 110.6° |
| C12 | C11 | H14 | 108.8° | 109.3° |
| C12 | C11 | H13 | 108.8° | 109.2° |
| C11 | C12 | H15 | 107.8° | 109.1° |
| O2 | C6 | C8 | 113.8° | 120.0° |
| C6 | O2 | C7 | 118.3° | 117.0° |
| C6 | C8 | C2 | 119.3° | 119.6° |
| C6 | C8 | O3 | 117.5° | 120.4° |
| C11 | O4 | C10 | 123.1° | 113.7° |
| O4 | C11 | H14 | 108.8° | 109.3° |
| O4 | C11 | H13 | 108.8° | 109.3° |
| O2 | C7 | H7 | 109.5° | 109.5° |
| O2 | C7 | H8 | 109.4° | 109.5° |
| O2 | C7 | H6 | 109.5° | 109.4° |
| C8 | C2 | O1 | 114.0° | 120.1° |
| C2 | C8 | O3 | 123.2° | 120.0° |
| C2 | O1 | C1 | 119.4° | 117.0° |
| O4 | C10 | C9 | 117.4° | 110.3° |
| O4 | C10 | H12 | 107.4° | 109.3° |
| O4 | C10 | H11 | 107.4° | 109.2° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.4° | 109.5° |
| C8 | O3 | C9 | 113.4° | 115.4° |
| C10 | C9 | O3 | 119.4° | 109.1° |
| C10 | C9 | H10 | 107.0° | 109.6° |
| C10 | C9 | H9 | 106.9° | 109.6° |
| C9 | C10 | H12 | 107.5° | 109.3° |
| C9 | C10 | H11 | 107.4° | 109.4° |
| O3 | C9 | H10 | 106.9° | 109.5° |
| O3 | C9 | H9 | 106.9° | 109.5° |
| H14 | C11 | H13 | 109.5° | 109.2° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H6 | 109.4° | 109.5° |
| H8 | C7 | H6 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.6° |
| H12 | C10 | H11 | 109.5° | 109.3° |
| H18 | C13 | H16 | 109.4° | 109.5° |
| H18 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H21 | C16 | H20 | 109.5° | 109.7° |
| H22 | C17 | H23 | 109.4° | 109.3° |
| H24 | C18 | H25 | 109.5° | 109.2° |
| H26 | C19 | H27 | 109.4° | 109.8° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| H33 | C24 | H32 | 109.5° | 109.4° |
| H35 | C25 | H34 | 109.5° | 109.5° |
| H37 | C26 | H36 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H37 | 120.6° | 120.0° |
| C27 | C26 | C25 | H36 | 120.7° | 120.0° |
| C26 | C27 | C22 | H38 | 120.9° | 120.1° |
| C26 | C27 | C22 | H39 | 120.9° | 119.9° |
| C27 | C26 | C25 | C24 | 48.6° | 60.0° |
| C26 | C27 | C22 | C21 | 169.5° | 180.0° |
| C26 | C27 | C22 | C23 | 44.1° | 60.1° |
| C26 | C27 | C22 | H29 | 73.7° | 60.0° |
| C27 | C26 | C25 | H35 | 71.8° | 180.0° |
| C27 | C26 | C25 | H34 | 169.1° | 60.0° |
| C27 | C26 | H37 | H36 | 118.0° | 120.0° |
| C26 | C27 | H38 | H39 | 117.2° | 120.0° |
| C25 | C26 | C27 | C22 | 44.3° | 60.0° |
| C26 | C25 | C24 | H35 | 120.5° | 120.0° |
| C26 | C25 | C24 | H34 | 120.5° | 120.0° |
| C26 | C25 | C24 | C23 | 53.6° | 60.0° |
| C26 | C25 | C24 | H33 | 174.0° | 60.0° |
| C26 | C25 | C24 | H32 | 66.8° | 180.0° |
| C26 | C25 | H35 | H34 | 118.5° | 120.0° |
| C25 | C26 | H37 | H36 | 118.0° | 120.0° |
| C25 | C26 | C27 | H38 | 165.2° | 60.0° |
| C25 | C26 | C27 | H39 | 76.7° | 180.0° |
| C17 | C16 | C15 | H21 | 120.4° | 119.8° |
| C17 | C16 | C15 | H20 | 120.4° | 119.8° |
| C16 | C17 | C18 | H22 | 119.8° | 120.2° |
| C16 | C17 | C18 | H23 | 119.8° | 120.2° |
| C16 | C17 | C18 | C19 | 56.7° | 60.5° |
| C17 | C16 | C15 | N1 | 56.1° | 54.3° |
| C17 | C16 | C15 | C14 | 71.6° | 175.8° |
| C17 | C16 | C15 | H19 | 173.4° | 64.8° |
| C17 | C16 | H21 | H20 | 118.7° | 120.3° |
| C16 | C17 | H22 | H23 | 120.7° | 119.8° |
| C16 | C17 | C18 | H24 | 177.0° | 59.8° |
| C16 | C17 | C18 | H25 | 63.7° | 179.3° |
| C15 | C16 | C17 | C18 | 61.3° | 60.7° |
| C16 | C15 | N1 | C14 | 123.7° | 121.4° |
| C16 | C15 | N1 | H19 | 116.8° | 118.2° |
| C16 | C15 | C14 | H19 | 115.0° | 118.7° |
| C16 | C15 | N1 | C20 | 146.1° | 127.3° |
| C16 | C15 | N1 | C19 | 46.2° | 53.5° |
| C16 | C15 | C14 | O6 | 54.2° | 32.6° |
| C16 | C15 | C14 | O5 | 121.8° | 147.4° |
| C15 | C16 | H21 | H20 | 118.8° | 120.3° |
| C15 | C16 | C17 | H22 | 58.5° | 179.2° |
| C15 | C16 | C17 | H23 | 178.9° | 59.5° |
| C27 | C22 | C21 | C20 | 67.9° | 141.9° |
| C27 | C22 | C21 | C23 | 125.8° | 120.0° |
| C27 | C22 | C21 | H29 | 116.8° | 120.0° |
| C27 | C22 | C23 | H29 | 117.5° | 120.1° |
| C27 | C22 | C23 | C24 | 48.6° | 60.1° |
| C27 | C22 | C21 | C4 | 174.5° | 101.6° |
| C27 | C22 | C21 | H28 | 52.8° | 20.2° |
| C27 | C22 | C23 | H30 | 169.2° | 180.0° |
| C27 | C22 | C23 | H31 | 71.9° | 60.0° |
| C22 | C27 | C26 | H37 | 164.9° | 60.0° |
| C22 | C27 | C26 | H36 | 76.4° | 180.0° |
| C22 | C27 | H38 | H39 | 117.2° | 120.0° |
| C17 | C18 | C19 | H24 | 120.3° | 120.3° |
| C17 | C18 | C19 | H25 | 120.3° | 120.2° |
| C17 | C18 | C19 | N1 | 48.8° | 53.0° |
| C18 | C17 | C16 | H21 | 59.1° | 59.1° |
| C18 | C17 | C16 | H20 | 178.2° | 179.5° |
| C18 | C17 | H22 | H23 | 120.6° | 119.6° |
| C17 | C18 | H24 | H25 | 118.9° | 119.6° |
| C17 | C18 | C19 | H26 | 71.9° | 66.7° |
| C17 | C18 | C19 | H27 | 169.5° | 172.7° |
| C25 | C24 | C23 | C22 | 54.5° | 60.0° |
| C25 | C24 | C23 | H33 | 120.4° | 120.0° |
| C25 | C24 | C23 | H32 | 120.4° | 120.0° |
| C25 | C24 | C23 | H30 | 175.0° | 179.9° |
| C25 | C24 | C23 | H31 | 66.1° | 60.0° |
| C25 | C24 | H33 | H32 | 118.8° | 119.9° |
| C24 | C25 | H35 | H34 | 118.5° | 120.0° |
| C24 | C25 | C26 | H37 | 169.3° | 60.0° |
| C24 | C25 | C26 | H36 | 72.0° | 180.0° |
| C18 | C19 | N1 | C15 | 43.6° | 52.4° |
| C18 | C19 | N1 | C20 | 149.2° | 128.4° |
| C18 | C19 | N1 | H26 | 120.7° | 119.8° |
| C18 | C19 | N1 | H27 | 120.7° | 119.7° |
| C19 | C18 | C17 | H22 | 63.1° | 179.3° |
| C19 | C18 | C17 | H23 | 176.5° | 59.7° |
| C19 | C18 | H24 | H25 | 118.9° | 119.6° |
| C18 | C19 | H26 | H27 | 117.8° | 120.5° |
| N1 | C15 | C14 | H19 | 119.9° | 120.6° |
| C15 | N1 | C20 | C19 | 166.7° | 179.2° |
| C15 | N1 | C20 | O7 | 1.7° | 31.0° |
| C15 | N1 | C20 | C21 | 173.2° | 149.0° |
| N1 | C15 | C14 | O6 | 179.3° | 88.0° |
| N1 | C15 | C14 | O5 | 3.4° | 91.9° |
| N1 | C15 | C16 | H21 | 64.3° | 65.5° |
| N1 | C15 | C16 | H20 | 176.5° | 174.2° |
| C15 | N1 | C19 | H26 | 77.1° | 67.4° |
| C15 | N1 | C19 | H27 | 164.3° | 172.1° |
| C14 | C15 | N1 | C20 | 90.2° | 5.9° |
| C14 | C15 | N1 | C19 | 77.5° | 174.9° |
| C15 | C14 | O6 | O5 | 175.5° | 180.0° |
| C15 | C14 | O5 | C12 | 173.7° | 173.7° |
| C14 | C15 | C16 | H21 | 168.0° | 56.0° |
| C14 | C15 | C16 | H20 | 48.8° | 64.4° |
| N1 | C20 | O7 | C21 | 175.3° | 180.0° |
| N1 | C20 | C21 | C22 | 155.4° | 4.7° |
| N1 | C20 | C21 | C4 | 82.0° | 114.4° |
| C20 | N1 | C15 | H19 | 29.3° | 114.5° |
| C20 | N1 | C19 | H26 | 90.1° | 111.8° |
| C20 | N1 | C19 | H27 | 28.4° | 8.7° |
| N1 | C20 | C21 | H28 | 34.9° | 126.5° |
| C19 | N1 | C20 | O7 | 168.3° | 149.8° |
| C19 | N1 | C20 | C21 | 6.5° | 30.2° |
| C19 | N1 | C15 | H19 | 163.0° | 64.7° |
| N1 | C19 | C18 | H24 | 169.1° | 67.2° |
| N1 | C19 | C18 | H25 | 71.6° | 173.2° |
| N1 | C19 | H26 | H27 | 117.8° | 120.4° |
| O7 | C20 | C21 | C22 | 29.5° | 175.3° |
| O7 | C20 | C21 | C4 | 93.1° | 65.6° |
| O7 | C20 | C21 | H28 | 150.0° | 53.5° |
| C20 | C21 | C22 | C4 | 117.7° | 116.5° |
| C20 | C21 | C22 | H28 | 120.7° | 121.8° |
| C20 | C21 | C22 | C23 | 166.3° | 98.1° |
| C20 | C21 | C4 | H28 | 117.0° | 119.1° |
| C20 | C21 | C4 | C5 | 116.3° | 86.1° |
| C20 | C21 | C4 | C3 | 65.5° | 88.4° |
| C20 | C21 | C22 | H29 | 48.9° | 21.9° |
| C21 | C22 | C23 | H29 | 117.1° | 120.0° |
| C21 | C22 | C23 | C24 | 174.1° | 180.0° |
| C22 | C21 | C4 | H28 | 121.4° | 121.8° |
| C22 | C21 | C4 | C5 | 122.1° | 33.0° |
| C22 | C21 | C4 | C3 | 56.1° | 152.5° |
| C21 | C22 | C23 | H30 | 65.4° | 60.0° |
| C21 | C22 | C23 | H31 | 53.5° | 59.9° |
| C21 | C22 | C27 | H38 | 69.6° | 60.0° |
| C21 | C22 | C27 | H39 | 48.6° | 60.1° |
| C22 | C23 | C24 | H30 | 120.6° | 120.0° |
| C22 | C23 | C24 | H31 | 120.6° | 120.1° |
| C23 | C22 | C21 | C4 | 48.6° | 18.4° |
| C23 | C22 | C21 | H28 | 73.0° | 140.1° |
| C22 | C23 | H30 | H31 | 118.3° | 120.0° |
| C22 | C23 | C24 | H33 | 174.9° | 60.0° |
| C22 | C23 | C24 | H32 | 65.9° | 180.0° |
| C23 | C22 | C27 | H38 | 165.0° | 60.0° |
| C23 | C22 | C27 | H39 | 76.8° | 180.0° |
| C24 | C23 | C22 | H29 | 68.8° | 60.0° |
| C24 | C23 | H30 | H31 | 118.3° | 120.0° |
| C23 | C24 | H33 | H32 | 118.8° | 120.0° |
| C23 | C24 | C25 | H35 | 66.9° | 180.0° |
| C23 | C24 | C25 | H34 | 174.1° | 60.0° |
| O6 | C14 | O5 | C12 | 2.3° | 6.4° |
| O6 | C14 | C15 | H19 | 60.8° | 151.4° |
| C21 | C4 | C5 | C3 | 178.1° | 174.4° |
| C21 | C4 | C5 | C6 | 178.7° | 168.6° |
| C21 | C4 | C3 | C2 | 179.0° | 168.8° |
| C21 | C4 | C5 | H5 | 1.3° | 11.4° |
| C21 | C4 | C3 | H4 | 1.0° | 11.2° |
| C4 | C21 | C22 | H29 | 68.8° | 138.4° |
| C14 | O5 | C12 | C13 | 79.0° | 18.2° |
| C14 | O5 | C12 | C11 | 155.6° | 138.7° |
| C14 | O5 | C12 | H15 | 39.1° | 100.7° |
| O5 | C14 | C15 | H19 | 123.2° | 28.7° |
| O5 | C12 | C13 | C11 | 121.9° | 122.0° |
| O5 | C12 | C13 | H15 | 118.4° | 118.9° |
| O5 | C12 | C11 | H15 | 116.9° | 120.5° |
| O5 | C12 | C11 | O4 | 74.9° | 17.2° |
| O5 | C12 | C11 | H14 | 45.5° | 137.4° |
| O5 | C12 | C11 | H13 | 164.6° | 103.1° |
| O5 | C12 | C13 | H18 | 180.0° | 166.9° |
| O5 | C12 | C13 | H16 | 60.0° | 73.1° |
| O5 | C12 | C13 | H17 | 60.0° | 46.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.9° | 5.6° |
| C4 | C5 | C6 | O2 | 180.0° | 179.2° |
| C4 | C5 | C6 | C8 | 3.2° | 0.8° |
| C5 | C4 | C3 | H4 | 177.1° | 174.4° |
| C5 | C4 | C21 | H28 | 0.7° | 154.8° |
| C3 | C4 | C5 | C6 | 3.1° | 5.8° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C8 | 2.7° | 0.4° |
| C4 | C3 | C2 | O1 | 176.3° | 179.6° |
| C3 | C4 | C5 | H5 | 176.8° | 174.1° |
| C3 | C4 | C21 | H28 | 177.5° | 30.7° |
| C5 | C6 | O2 | C8 | 177.0° | 180.0° |
| C5 | C6 | O2 | C7 | 28.5° | 0.0° |
| C5 | C6 | C8 | C2 | 3.0° | 4.4° |
| C5 | C6 | C8 | O3 | 179.1° | 174.3° |
| C3 | C2 | C8 | C6 | 2.8° | 4.6° |
| C3 | C2 | C8 | O1 | 174.3° | 180.0° |
| C3 | C2 | O1 | C1 | 23.8° | 0.1° |
| C3 | C2 | C8 | O3 | 179.4° | 174.1° |
| C13 | C12 | C11 | H15 | 119.8° | 119.0° |
| C13 | C12 | C11 | O4 | 48.3° | 137.7° |
| C13 | C12 | C11 | H14 | 168.7° | 102.1° |
| C13 | C12 | C11 | H13 | 72.1° | 17.4° |
| C12 | C13 | H18 | H16 | 120.0° | 120.0° |
| C12 | C13 | H18 | H17 | 120.0° | 120.0° |
| C12 | C13 | H16 | H17 | 120.0° | 120.0° |
| C12 | C11 | O4 | H14 | 120.4° | 120.3° |
| C12 | C11 | O4 | H13 | 120.4° | 120.3° |
| C12 | C11 | O4 | C10 | 145.3° | 135.9° |
| C12 | C11 | H14 | H13 | 118.8° | 119.4° |
| C11 | C12 | C13 | H18 | 58.2° | 44.9° |
| C11 | C12 | C13 | H16 | 178.1° | 164.9° |
| C11 | C12 | C13 | H17 | 61.9° | 75.1° |
| O2 | C6 | C8 | C2 | 179.8° | 175.5° |
| O2 | C6 | C8 | O3 | 1.9° | 5.7° |
| O2 | C6 | C5 | H5 | 0.0° | 0.8° |
| C6 | O2 | C7 | H7 | 180.0° | 60.0° |
| C6 | O2 | C7 | H8 | 60.0° | 180.0° |
| C6 | O2 | C7 | H6 | 60.0° | 60.0° |
| C8 | C6 | O2 | C7 | 148.6° | 180.0° |
| C6 | C8 | C2 | O3 | 177.8° | 178.8° |
| C6 | C8 | C2 | O1 | 177.0° | 175.4° |
| C6 | C8 | O3 | C9 | 101.4° | 108.8° |
| C8 | C6 | C5 | H5 | 176.8° | 179.2° |
| C11 | O4 | C10 | C9 | 65.2° | 93.6° |
| O4 | C11 | H14 | H13 | 118.8° | 119.5° |
| C11 | O4 | C10 | H12 | 56.0° | 26.6° |
| C11 | O4 | C10 | H11 | 173.7° | 146.2° |
| O4 | C11 | C12 | H15 | 168.1° | 103.3° |
| O2 | C7 | H7 | H8 | 120.0° | 120.0° |
| O2 | C7 | H7 | H6 | 120.0° | 119.9° |
| O2 | C7 | H8 | H6 | 120.0° | 119.9° |
| C8 | C2 | O1 | C1 | 162.2° | 180.0° |
| C2 | C8 | O3 | C9 | 76.4° | 70.0° |
| C8 | C2 | C3 | H4 | 177.3° | 179.7° |
| O1 | C2 | C8 | O3 | 5.2° | 5.8° |
| O1 | C2 | C3 | H4 | 3.7° | 0.4° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 59.9° |
| O4 | C10 | C9 | H12 | 121.2° | 120.3° |
| O4 | C10 | C9 | H11 | 121.1° | 120.2° |
| O4 | C10 | C9 | O3 | 67.9° | 76.3° |
| C10 | O4 | C11 | H14 | 94.3° | 15.6° |
| C10 | O4 | C11 | H13 | 24.8° | 103.9° |
| O4 | C10 | C9 | H10 | 53.5° | 163.8° |
| O4 | C10 | C9 | H9 | 170.7° | 43.6° |
| O4 | C10 | H12 | H11 | 116.4° | 119.5° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C8 | O3 | C9 | C10 | 47.7° | 57.3° |
| C8 | O3 | C9 | H10 | 73.7° | 177.3° |
| C8 | O3 | C9 | H9 | 169.1° | 62.6° |
| C10 | C9 | O3 | H10 | 121.4° | 119.9° |
| C10 | C9 | O3 | H9 | 121.4° | 119.9° |
| C10 | C9 | H10 | H9 | 115.5° | 120.3° |
| C9 | C10 | H12 | H11 | 116.4° | 119.6° |
| O3 | C9 | H10 | H9 | 115.5° | 120.1° |
| O3 | C9 | C10 | H12 | 170.9° | 163.4° |
| O3 | C9 | C10 | H11 | 53.2° | 43.8° |
| H14 | C11 | C12 | H15 | 71.5° | 17.0° |
| H13 | C11 | C12 | H15 | 47.7° | 136.4° |
| H7 | C7 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H12 | 67.7° | 43.6° |
| H10 | C9 | C10 | H11 | 174.6° | 76.0° |
| H9 | C9 | C10 | H12 | 49.5° | 76.7° |
| H9 | C9 | C10 | H11 | 68.2° | 163.7° |
| H15 | C12 | C13 | H18 | 61.5° | 74.1° |
| H15 | C12 | C13 | H16 | 58.4° | 45.9° |
| H15 | C12 | C13 | H17 | 178.4° | 165.8° |
| H18 | C13 | H16 | H17 | 120.0° | 120.1° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 53.0° | 175.4° |
| H19 | C15 | C16 | H20 | 66.2° | 55.0° |
| H21 | C16 | C17 | H22 | 178.9° | 61.0° |
| H21 | C16 | C17 | H23 | 60.7° | 179.3° |
| H20 | C16 | C17 | H22 | 62.0° | 59.3° |
| H20 | C16 | C17 | H23 | 58.5° | 60.3° |
| H22 | C17 | C18 | H24 | 57.2° | 60.4° |
| H22 | C17 | C18 | H25 | 176.5° | 59.1° |
| H23 | C17 | C18 | H24 | 63.2° | 180.0° |
| H23 | C17 | C18 | H25 | 56.1° | 60.5° |
| H24 | C18 | C19 | H26 | 48.4° | 173.0° |
| H24 | C18 | C19 | H27 | 70.2° | 52.4° |
| H25 | C18 | C19 | H26 | 167.7° | 53.5° |
| H25 | C18 | C19 | H27 | 49.2° | 67.1° |
| H28 | C21 | C22 | H29 | 169.6° | 99.8° |
| H29 | C22 | C23 | H30 | 51.7° | 60.0° |
| H29 | C22 | C23 | H31 | 170.6° | 179.9° |
| H29 | C22 | C27 | H38 | 47.2° | 179.9° |
| H29 | C22 | C27 | H39 | 165.4° | 59.9° |
| H30 | C23 | C24 | H33 | 64.6° | 60.0° |
| H30 | C23 | C24 | H32 | 54.6° | 60.0° |
| H31 | C23 | C24 | H33 | 54.3° | 179.9° |
| H31 | C23 | C24 | H32 | 173.5° | 59.9° |
| H33 | C24 | C25 | H35 | 53.5° | 60.0° |
| H33 | C24 | C25 | H34 | 65.5° | 180.0° |
| H32 | C24 | C25 | H35 | 172.7° | 60.0° |
| H32 | C24 | C25 | H34 | 53.7° | 60.0° |
| H35 | C25 | C26 | H37 | 48.8° | 60.0° |
| H35 | C25 | C26 | H36 | 167.5° | 60.0° |
| H34 | C25 | C26 | H37 | 70.2° | 180.0° |
| H34 | C25 | C26 | H36 | 48.5° | 60.0° |
| H37 | C26 | C27 | H38 | 74.2° | 180.0° |
| H37 | C26 | C27 | H39 | 44.0° | 59.9° |
| H36 | C26 | C27 | H38 | 44.5° | 60.0° |
| H36 | C26 | C27 | H39 | 162.7° | 60.1° |
