A1I54
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | sing | 1.53Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | C16 | sing | 1.54Å | 1.52Å | |
| C28 | C23 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C16 | N1 | sing | 1.47Å | 1.48Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| N1 | C21 | sing | 1.34Å | 1.35Å | |
| N1 | C20 | sing | 1.47Å | 1.48Å | |
| O7 | C21 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| O6 | C15 | doub | 1.21Å | 1.18Å | |
| C22 | C4 | sing | 1.51Å | 1.52Å | |
| C15 | O5 | sing | 1.34Å | 1.31Å | |
| O5 | C13 | sing | 1.45Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C6 | O2 | sing | 1.36Å | 1.38Å | |
| C6 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | O2 | sing | 1.43Å | 1.42Å | |
| C12 | O4 | sing | 1.43Å | 1.41Å | |
| C2 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O4 | C11 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C8 | O3 | sing | 1.36Å | 1.39Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.48Å | |
| O3 | C9 | sing | 1.43Å | 1.43Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| 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 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | 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 | |
| C16 | H21 | sing | 1.08Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | 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 | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | 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 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 116.8° | 109.5° |
| C27 | C28 | C23 | 111.0° | 109.5° |
| C28 | C27 | H39 | 107.6° | 109.5° |
| C28 | C27 | H38 | 107.6° | 109.5° |
| C27 | C28 | H40 | 109.1° | 109.5° |
| C27 | C28 | H41 | 109.0° | 109.5° |
| C27 | C26 | C25 | 107.7° | 109.5° |
| C27 | C26 | H37 | 109.9° | 109.5° |
| C27 | C26 | H36 | 109.9° | 109.4° |
| C26 | C27 | H39 | 107.6° | 109.4° |
| C26 | C27 | H38 | 107.6° | 109.5° |
| C18 | C17 | C16 | 112.1° | 108.1° |
| C17 | C18 | C19 | 106.8° | 109.4° |
| C18 | C17 | H23 | 108.8° | 109.7° |
| C18 | C17 | H22 | 108.8° | 109.8° |
| C17 | C18 | H24 | 110.1° | 109.5° |
| C17 | C18 | H25 | 110.1° | 109.5° |
| C17 | C16 | N1 | 113.0° | 109.0° |
| C17 | C16 | C15 | 105.6° | 109.3° |
| C17 | C16 | H21 | 108.8° | 109.5° |
| C16 | C17 | H23 | 108.8° | 109.7° |
| C16 | C17 | H22 | 108.8° | 109.8° |
| C28 | C23 | C22 | 110.1° | 109.5° |
| C28 | C23 | C24 | 108.8° | 109.5° |
| C28 | C23 | H31 | 108.2° | 109.4° |
| C23 | C28 | H40 | 109.1° | 109.5° |
| C23 | C28 | H41 | 109.1° | 109.5° |
| C26 | C25 | C24 | 109.2° | 109.5° |
| C26 | C25 | H35 | 109.5° | 109.5° |
| C26 | C25 | H34 | 109.5° | 109.5° |
| C25 | C26 | H37 | 109.9° | 109.5° |
| C25 | C26 | H36 | 109.9° | 109.5° |
| C18 | C19 | C20 | 109.4° | 109.9° |
| C19 | C18 | H24 | 110.1° | 109.5° |
| C19 | C18 | H25 | 110.1° | 109.5° |
| C18 | C19 | H26 | 109.5° | 109.4° |
| C18 | C19 | H27 | 109.5° | 109.4° |
| C19 | C20 | N1 | 112.3° | 109.6° |
| C20 | C19 | H26 | 109.5° | 109.4° |
| C20 | C19 | H27 | 109.5° | 109.4° |
| C19 | C20 | H28 | 108.8° | 109.4° |
| C19 | C20 | H29 | 108.8° | 109.4° |
| N1 | C16 | C15 | 111.4° | 108.9° |
| C16 | N1 | C21 | 118.7° | 119.5° |
| C16 | N1 | C20 | 115.1° | 119.5° |
| N1 | C16 | H21 | 109.3° | 110.0° |
| C16 | C15 | O6 | 124.4° | 119.8° |
| C16 | C15 | O5 | 112.7° | 120.3° |
| C15 | C16 | H21 | 108.6° | 110.1° |
| C21 | N1 | C20 | 125.8° | 121.0° |
| N1 | C21 | O7 | 122.8° | 119.3° |
| N1 | C21 | C22 | 119.1° | 121.3° |
| N1 | C20 | H28 | 108.7° | 109.4° |
| N1 | C20 | H29 | 108.8° | 109.5° |
| O7 | C21 | C22 | 117.8° | 119.4° |
| C21 | C22 | C23 | 109.9° | 110.1° |
| C21 | C22 | C4 | 108.6° | 106.0° |
| C21 | C22 | H30 | 109.6° | 110.2° |
| C22 | C23 | C24 | 113.0° | 109.5° |
| C23 | C22 | C4 | 110.2° | 110.1° |
| C23 | C22 | H30 | 109.1° | 110.2° |
| C22 | C23 | H31 | 108.0° | 109.5° |
| C23 | C24 | C25 | 117.2° | 109.5° |
| C24 | C23 | H31 | 108.5° | 109.5° |
| C23 | C24 | H32 | 107.5° | 109.5° |
| C23 | C24 | H33 | 107.5° | 109.4° |
| C25 | C24 | H32 | 107.5° | 109.4° |
| C25 | C24 | H33 | 107.5° | 109.5° |
| C24 | C25 | H35 | 109.5° | 109.4° |
| C24 | C25 | H34 | 109.5° | 109.4° |
| O6 | C15 | O5 | 122.8° | 119.9° |
| C22 | C4 | C5 | 120.8° | 119.1° |
| C22 | C4 | C3 | 118.7° | 120.3° |
| C4 | C22 | H30 | 109.5° | 110.1° |
| C15 | O5 | C13 | 116.0° | 116.5° |
| O5 | C13 | C14 | 109.6° | 109.5° |
| O5 | C13 | C12 | 109.3° | 109.2° |
| O5 | C13 | H17 | 108.6° | 109.6° |
| C5 | C4 | C3 | 120.0° | 120.4° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C4 | C5 | H5 | 120.4° | 120.0° |
| C4 | C3 | C2 | 121.0° | 119.8° |
| C4 | C3 | H4 | 119.5° | 120.1° |
| C5 | C6 | O2 | 125.2° | 120.1° |
| C5 | C6 | C8 | 120.2° | 119.8° |
| C6 | C5 | H5 | 120.4° | 120.0° |
| C3 | C2 | C8 | 118.6° | 120.0° |
| C3 | C2 | O1 | 125.6° | 120.0° |
| C2 | C3 | H4 | 119.4° | 120.1° |
| C14 | C13 | C12 | 112.8° | 109.5° |
| C13 | C14 | H18 | 109.5° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.4° |
| C14 | C13 | H17 | 108.3° | 109.5° |
| C13 | C12 | O4 | 109.0° | 109.4° |
| C13 | C12 | H16 | 109.6° | 109.5° |
| C13 | C12 | H15 | 109.6° | 109.5° |
| C12 | C13 | H17 | 108.3° | 109.6° |
| O2 | C6 | C8 | 114.6° | 120.1° |
| C6 | O2 | C7 | 117.5° | 117.0° |
| C6 | C8 | C2 | 120.5° | 119.7° |
| C6 | C8 | O3 | 119.9° | 120.0° |
| O2 | C7 | H7 | 109.5° | 109.5° |
| O2 | C7 | H8 | 109.5° | 109.4° |
| O2 | C7 | H6 | 109.5° | 109.5° |
| C12 | O4 | C11 | 104.8° | 113.8° |
| O4 | C12 | H16 | 109.6° | 109.5° |
| O4 | C12 | H15 | 109.6° | 109.5° |
| C8 | C2 | O1 | 115.5° | 120.0° |
| C2 | C8 | O3 | 119.5° | 120.3° |
| C2 | O1 | C1 | 118.7° | 117.0° |
| O4 | C11 | C10 | 109.3° | 109.3° |
| O4 | C11 | H14 | 109.5° | 109.5° |
| O4 | C11 | H13 | 109.5° | 109.6° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C8 | O3 | C9 | 121.7° | 115.2° |
| C11 | C10 | C9 | 113.0° | 109.3° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C11 | C10 | H12 | 108.6° | 109.5° |
| C11 | C10 | H11 | 108.6° | 109.5° |
| C10 | C9 | O3 | 116.6° | 110.2° |
| C10 | C9 | H10 | 107.7° | 109.4° |
| C10 | C9 | H9 | 107.7° | 109.2° |
| C9 | C10 | H12 | 108.6° | 109.5° |
| C9 | C10 | H11 | 108.6° | 109.5° |
| O3 | C9 | H10 | 107.7° | 109.4° |
| O3 | C9 | H9 | 107.7° | 109.3° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.4° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H14 | C11 | H13 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H7 | C7 | H6 | 109.5° | 109.5° |
| H8 | C7 | H6 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.4° |
| H12 | C10 | H11 | 109.5° | 109.6° |
| H16 | C12 | H15 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.8° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.3° |
| H28 | C20 | H29 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H35 | C25 | H34 | 109.5° | 109.5° |
| H37 | C26 | H36 | 109.4° | 109.5° |
| H39 | C27 | H38 | 109.5° | 109.4° |
| H40 | C28 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H39 | 121.1° | 120.0° |
| C28 | C27 | C26 | H38 | 121.0° | 120.1° |
| C27 | C28 | C23 | H40 | 120.3° | 120.0° |
| C27 | C28 | C23 | H41 | 120.2° | 120.0° |
| C28 | C27 | C26 | C25 | 59.4° | 60.0° |
| C27 | C28 | C23 | C22 | 170.5° | 180.0° |
| C27 | C28 | C23 | C24 | 46.1° | 60.0° |
| C27 | C28 | C23 | H31 | 71.6° | 60.0° |
| C28 | C27 | C26 | H37 | 60.4° | 180.0° |
| C28 | C27 | C26 | H36 | 179.1° | 60.0° |
| C28 | C27 | H39 | H38 | 116.7° | 120.0° |
| C27 | C28 | H40 | H41 | 119.3° | 120.0° |
| C26 | C27 | C28 | C23 | 55.7° | 60.0° |
| C27 | C26 | C25 | H37 | 119.7° | 120.0° |
| C27 | C26 | C25 | H36 | 119.7° | 120.0° |
| C27 | C26 | C25 | C24 | 55.3° | 59.9° |
| C27 | C26 | C25 | H35 | 175.3° | 60.0° |
| C27 | C26 | C25 | H34 | 64.7° | 179.9° |
| C27 | C26 | H37 | H36 | 120.8° | 119.9° |
| C26 | C27 | H39 | H38 | 116.6° | 120.0° |
| C26 | C27 | C28 | H40 | 176.0° | 60.1° |
| C26 | C27 | C28 | H41 | 64.5° | 180.0° |
| C18 | C17 | C16 | H23 | 120.4° | 119.6° |
| C18 | C17 | C16 | H22 | 120.4° | 119.7° |
| C17 | C18 | C19 | H24 | 119.6° | 120.0° |
| C17 | C18 | C19 | H25 | 119.6° | 120.0° |
| C17 | C18 | C19 | C20 | 63.5° | 52.4° |
| C18 | C17 | C16 | N1 | 51.6° | 22.2° |
| C18 | C17 | C16 | C15 | 70.5° | 141.2° |
| C18 | C17 | C16 | H21 | 173.1° | 98.1° |
| C18 | C17 | H23 | H22 | 118.8° | 120.7° |
| C17 | C18 | H24 | H25 | 121.2° | 120.0° |
| C17 | C18 | C19 | H26 | 176.5° | 67.7° |
| C17 | C18 | C19 | H27 | 56.5° | 172.6° |
| C16 | C17 | C18 | C19 | 62.3° | 69.2° |
| C17 | C16 | N1 | C15 | 118.8° | 119.2° |
| C17 | C16 | N1 | H21 | 121.3° | 120.1° |
| C17 | C16 | C15 | H21 | 116.5° | 120.3° |
| C17 | C16 | N1 | C21 | 144.1° | 141.8° |
| C17 | C16 | N1 | C20 | 42.7° | 40.7° |
| C17 | C16 | C15 | O6 | 61.8° | 73.2° |
| C17 | C16 | C15 | O5 | 120.6° | 106.8° |
| C16 | C17 | H23 | H22 | 118.8° | 120.7° |
| C16 | C17 | C18 | H24 | 57.3° | 170.8° |
| C16 | C17 | C18 | H25 | 178.2° | 50.8° |
| C28 | C23 | C22 | C21 | 68.3° | 60.0° |
| C28 | C23 | C22 | C24 | 121.9° | 120.0° |
| C28 | C23 | C22 | H31 | 118.0° | 119.9° |
| C28 | C23 | C24 | H31 | 117.6° | 119.9° |
| C28 | C23 | C24 | C25 | 50.0° | 60.0° |
| C28 | C23 | C22 | C4 | 172.0° | 176.6° |
| C28 | C23 | C22 | H30 | 51.8° | 61.7° |
| C28 | C23 | C24 | H32 | 171.1° | 180.0° |
| C28 | C23 | C24 | H33 | 71.1° | 60.0° |
| C23 | C28 | C27 | H39 | 176.8° | 60.0° |
| C23 | C28 | C27 | H38 | 65.3° | 180.0° |
| C23 | C28 | H40 | H41 | 119.3° | 120.0° |
| C26 | C25 | C24 | C23 | 55.4° | 60.0° |
| C26 | C25 | C24 | H35 | 120.0° | 120.0° |
| C26 | C25 | C24 | H34 | 120.0° | 120.0° |
| C26 | C25 | C24 | H32 | 176.5° | 180.0° |
| C26 | C25 | C24 | H33 | 65.7° | 60.0° |
| C26 | C25 | H35 | H34 | 120.1° | 120.1° |
| C25 | C26 | H37 | H36 | 120.8° | 120.0° |
| C25 | C26 | C27 | H39 | 179.5° | 60.0° |
| C25 | C26 | C27 | H38 | 61.7° | 180.0° |
| C18 | C19 | C20 | H26 | 120.0° | 120.1° |
| C18 | C19 | C20 | H27 | 120.0° | 120.2° |
| C18 | C19 | C20 | N1 | 56.2° | 6.6° |
| C19 | C18 | C17 | H23 | 58.2° | 50.4° |
| C19 | C18 | C17 | H22 | 177.3° | 171.1° |
| C19 | C18 | H24 | H25 | 121.2° | 120.1° |
| C18 | C19 | H26 | H27 | 120.0° | 119.8° |
| C18 | C19 | C20 | H28 | 64.2° | 126.6° |
| C18 | C19 | C20 | H29 | 176.7° | 113.5° |
| C19 | C20 | N1 | C16 | 45.1° | 57.5° |
| C19 | C20 | N1 | C21 | 142.2° | 125.1° |
| C19 | C20 | N1 | H28 | 120.4° | 120.0° |
| C19 | C20 | N1 | H29 | 120.4° | 120.1° |
| C20 | C19 | C18 | H24 | 56.1° | 172.4° |
| C20 | C19 | C18 | H25 | 176.9° | 67.5° |
| C20 | C19 | H26 | H27 | 120.1° | 119.7° |
| C19 | C20 | H28 | H29 | 118.7° | 119.9° |
| N1 | C16 | C15 | H21 | 120.4° | 120.7° |
| C16 | N1 | C21 | C20 | 172.4° | 177.4° |
| C16 | N1 | C21 | O7 | 7.5° | 38.4° |
| C16 | N1 | C21 | C22 | 179.3° | 141.6° |
| N1 | C16 | C15 | O6 | 175.1° | 45.8° |
| N1 | C16 | C15 | O5 | 2.5° | 134.1° |
| N1 | C16 | C17 | H23 | 68.8° | 97.4° |
| N1 | C16 | C17 | H22 | 172.0° | 141.9° |
| C16 | N1 | C20 | H28 | 75.3° | 177.6° |
| C16 | N1 | C20 | H29 | 165.6° | 62.5° |
| C15 | C16 | N1 | C21 | 97.2° | 99.0° |
| C15 | C16 | N1 | C20 | 76.0° | 78.5° |
| C16 | C15 | O6 | O5 | 177.4° | 179.9° |
| C16 | C15 | O5 | C13 | 178.5° | 179.7° |
| C15 | C16 | C17 | H23 | 169.1° | 21.6° |
| C15 | C16 | C17 | H22 | 49.9° | 99.1° |
| N1 | C21 | O7 | C22 | 173.3° | 180.0° |
| N1 | C21 | C22 | C23 | 156.6° | 148.7° |
| N1 | C21 | C22 | C4 | 82.8° | 92.3° |
| C21 | N1 | C16 | H21 | 22.8° | 21.8° |
| C21 | N1 | C20 | H28 | 97.3° | 5.1° |
| C21 | N1 | C20 | H29 | 21.8° | 114.8° |
| N1 | C21 | C22 | H30 | 36.8° | 26.9° |
| C20 | N1 | C21 | O7 | 164.9° | 144.2° |
| C20 | N1 | C21 | C22 | 8.4° | 35.8° |
| C20 | N1 | C16 | H21 | 164.0° | 160.8° |
| N1 | C20 | C19 | H26 | 176.2° | 126.7° |
| N1 | C20 | C19 | H27 | 63.7° | 113.6° |
| N1 | C20 | H28 | H29 | 118.7° | 119.9° |
| O7 | C21 | C22 | C23 | 29.8° | 31.4° |
| O7 | C21 | C22 | C4 | 90.8° | 87.7° |
| O7 | C21 | C22 | H30 | 149.7° | 153.1° |
| C21 | C22 | C23 | C4 | 119.7° | 116.6° |
| C21 | C22 | C23 | H30 | 120.1° | 121.7° |
| C21 | C22 | C23 | C24 | 169.7° | 180.0° |
| C21 | C22 | C4 | H30 | 119.6° | 119.2° |
| C21 | C22 | C4 | C5 | 131.6° | 71.9° |
| C21 | C22 | C4 | C3 | 56.4° | 102.6° |
| C21 | C22 | C23 | H31 | 49.7° | 59.9° |
| C22 | C23 | C24 | H31 | 119.8° | 120.1° |
| C22 | C23 | C24 | C25 | 172.7° | 180.0° |
| C23 | C22 | C4 | H30 | 119.9° | 121.7° |
| C23 | C22 | C4 | C5 | 107.9° | 47.2° |
| C23 | C22 | C4 | C3 | 64.0° | 138.3° |
| C22 | C23 | C24 | H32 | 66.2° | 60.0° |
| C22 | C23 | C24 | H33 | 51.6° | 60.0° |
| C22 | C23 | C28 | H40 | 69.3° | 60.0° |
| C22 | C23 | C28 | H41 | 50.3° | 60.0° |
| C23 | C24 | C25 | H32 | 121.1° | 120.0° |
| C23 | C24 | C25 | H33 | 121.1° | 120.0° |
| C24 | C23 | C22 | C4 | 50.1° | 63.4° |
| C24 | C23 | C22 | H30 | 70.1° | 58.3° |
| C23 | C24 | H32 | H33 | 116.5° | 120.0° |
| C23 | C24 | C25 | H35 | 175.4° | 60.0° |
| C23 | C24 | C25 | H34 | 64.5° | 180.0° |
| C24 | C23 | C28 | H40 | 166.3° | 60.0° |
| C24 | C23 | C28 | H41 | 74.1° | 180.0° |
| C25 | C24 | C23 | H31 | 67.5° | 60.0° |
| C25 | C24 | H32 | H33 | 116.5° | 120.0° |
| C24 | C25 | H35 | H34 | 120.1° | 120.0° |
| C24 | C25 | C26 | H37 | 64.4° | 180.0° |
| C24 | C25 | C26 | H36 | 175.1° | 60.0° |
| O6 | C15 | O5 | C13 | 0.8° | 0.4° |
| O6 | C15 | C16 | H21 | 54.7° | 166.5° |
| C22 | C4 | C5 | C3 | 171.8° | 174.5° |
| C22 | C4 | C5 | C6 | 175.8° | 169.1° |
| C22 | C4 | C3 | C2 | 179.1° | 169.2° |
| C22 | C4 | C5 | H5 | 4.2° | 11.0° |
| C22 | C4 | C3 | H4 | 0.9° | 10.7° |
| C4 | C22 | C23 | H31 | 70.0° | 56.7° |
| C15 | O5 | C13 | C14 | 80.6° | 26.4° |
| C15 | O5 | C13 | C12 | 155.3° | 146.3° |
| C15 | O5 | C13 | H17 | 37.4° | 93.7° |
| O5 | C15 | C16 | H21 | 122.9° | 13.5° |
| O5 | C13 | C14 | C12 | 122.0° | 119.7° |
| O5 | C13 | C14 | H17 | 118.2° | 120.1° |
| O5 | C13 | C12 | H17 | 118.1° | 120.0° |
| O5 | C13 | C12 | O4 | 72.5° | 165.8° |
| O5 | C13 | C14 | H18 | 180.0° | 160.0° |
| O5 | C13 | C14 | H19 | 60.0° | 80.0° |
| O5 | C13 | C14 | H20 | 60.0° | 39.9° |
| O5 | C13 | C12 | H16 | 47.4° | 45.8° |
| O5 | C13 | C12 | H15 | 167.5° | 74.2° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 7.1° | 5.3° |
| C4 | C5 | C6 | O2 | 178.4° | 179.0° |
| C4 | C5 | C6 | C8 | 1.6° | 1.0° |
| C5 | C4 | C3 | H4 | 172.9° | 174.9° |
| C5 | C4 | C22 | H30 | 12.0° | 168.9° |
| C3 | C4 | C5 | C6 | 4.0° | 5.4° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C8 | 7.6° | 0.6° |
| C4 | C3 | C2 | O1 | 178.8° | 179.4° |
| C3 | C4 | C5 | H5 | 176.0° | 174.5° |
| C3 | C4 | C22 | H30 | 176.1° | 16.6° |
| C5 | C6 | O2 | C8 | 180.0° | 179.9° |
| C5 | C6 | O2 | C7 | 21.2° | 0.1° |
| C5 | C6 | C8 | C2 | 2.3° | 3.6° |
| C5 | C6 | C8 | O3 | 178.1° | 175.5° |
| C3 | C2 | C8 | C6 | 5.2° | 3.8° |
| C3 | C2 | C8 | O1 | 174.2° | 180.0° |
| C3 | C2 | O1 | C1 | 1.7° | 0.0° |
| C3 | C2 | C8 | O3 | 178.9° | 175.3° |
| C14 | C13 | C12 | H17 | 119.8° | 120.1° |
| C14 | C13 | C12 | O4 | 49.6° | 45.9° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C13 | C14 | H18 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H20 | 120.0° | 119.9° |
| C14 | C13 | C12 | H16 | 169.5° | 74.1° |
| C14 | C13 | C12 | H15 | 70.3° | 165.9° |
| C13 | C12 | O4 | H16 | 119.9° | 120.0° |
| C13 | C12 | O4 | H15 | 119.9° | 120.0° |
| C13 | C12 | O4 | C11 | 163.1° | 168.4° |
| C12 | C13 | C14 | H18 | 58.0° | 40.3° |
| C12 | C13 | C14 | H19 | 178.0° | 160.3° |
| C12 | C13 | C14 | H20 | 62.0° | 79.8° |
| C13 | C12 | H16 | H15 | 120.2° | 120.1° |
| O2 | C6 | C8 | C2 | 177.8° | 176.5° |
| O2 | C6 | C8 | O3 | 1.9° | 4.4° |
| O2 | C6 | C5 | H5 | 1.6° | 1.1° |
| C6 | O2 | C7 | H7 | 180.0° | 59.9° |
| C6 | O2 | C7 | H8 | 60.0° | 60.0° |
| C6 | O2 | C7 | H6 | 60.0° | 180.0° |
| C8 | C6 | O2 | C7 | 158.8° | 180.0° |
| C6 | C8 | C2 | O3 | 175.9° | 179.1° |
| C6 | C8 | C2 | O1 | 179.4° | 176.2° |
| C6 | C8 | O3 | C9 | 72.4° | 64.9° |
| C8 | C6 | C5 | H5 | 178.4° | 179.0° |
| O2 | C7 | H7 | H8 | 120.0° | 120.0° |
| O2 | C7 | H7 | H6 | 120.0° | 120.1° |
| O2 | C7 | H8 | H6 | 120.0° | 120.1° |
| C12 | O4 | C11 | C10 | 152.1° | 94.1° |
| C12 | O4 | C11 | H14 | 32.1° | 146.0° |
| C12 | O4 | C11 | H13 | 87.9° | 25.9° |
| O4 | C12 | H16 | H15 | 120.2° | 120.0° |
| O4 | C12 | C13 | H17 | 169.4° | 74.2° |
| C8 | C2 | O1 | C1 | 172.1° | 180.0° |
| C2 | C8 | O3 | C9 | 103.5° | 114.2° |
| C8 | C2 | C3 | H4 | 172.4° | 179.5° |
| O1 | C2 | C8 | O3 | 4.7° | 4.7° |
| O1 | C2 | C3 | H4 | 1.2° | 0.5° |
| C2 | O1 | C1 | H2 | 180.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O4 | C11 | C10 | H14 | 120.0° | 119.9° |
| O4 | C11 | C10 | H13 | 120.0° | 120.0° |
| O4 | C11 | C10 | C9 | 139.1° | 69.5° |
| O4 | C11 | H14 | H13 | 120.1° | 120.1° |
| O4 | C11 | C10 | H12 | 100.4° | 170.6° |
| O4 | C11 | C10 | H11 | 18.6° | 50.4° |
| C11 | O4 | C12 | H16 | 77.0° | 48.4° |
| C11 | O4 | C12 | H15 | 43.1° | 71.6° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 119.9° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C8 | O3 | C9 | C10 | 4.9° | 141.4° |
| C8 | O3 | C9 | H10 | 126.0° | 21.1° |
| C8 | O3 | C9 | H9 | 116.1° | 98.6° |
| C11 | C10 | C9 | H12 | 120.5° | 120.0° |
| C11 | C10 | C9 | H11 | 120.5° | 119.9° |
| C11 | C10 | C9 | O3 | 85.0° | 149.2° |
| C10 | C11 | H14 | H13 | 120.1° | 120.1° |
| C11 | C10 | C9 | H10 | 36.0° | 28.9° |
| C11 | C10 | C9 | H9 | 153.9° | 90.8° |
| C11 | C10 | H12 | H11 | 118.4° | 120.1° |
| C10 | C9 | O3 | H10 | 121.0° | 120.3° |
| C10 | C9 | O3 | H9 | 121.0° | 120.0° |
| C9 | C10 | C11 | H14 | 19.2° | 170.6° |
| C9 | C10 | C11 | H13 | 100.9° | 50.6° |
| C10 | C9 | H10 | H9 | 116.8° | 119.5° |
| C9 | C10 | H12 | H11 | 118.4° | 120.1° |
| O3 | C9 | H10 | H9 | 116.8° | 119.7° |
| O3 | C9 | C10 | H12 | 154.4° | 90.9° |
| O3 | C9 | C10 | H11 | 35.5° | 29.3° |
| H18 | C14 | H19 | H20 | 119.9° | 120.1° |
| H18 | C14 | C13 | H17 | 61.8° | 79.9° |
| H19 | C14 | C13 | H17 | 58.2° | 40.1° |
| H20 | C14 | C13 | H17 | 178.2° | 160.1° |
| H14 | C11 | C10 | H12 | 139.7° | 50.7° |
| H14 | C11 | C10 | H11 | 101.3° | 69.5° |
| H13 | C11 | C10 | H12 | 19.6° | 69.4° |
| H13 | C11 | C10 | H11 | 138.6° | 170.5° |
| H7 | C7 | H8 | H6 | 120.0° | 119.9° |
| H10 | C9 | C10 | H12 | 84.6° | 148.9° |
| H10 | C9 | C10 | H11 | 156.5° | 91.0° |
| H9 | C9 | C10 | H12 | 33.4° | 29.2° |
| H9 | C9 | C10 | H11 | 85.6° | 149.3° |
| H16 | C12 | C13 | H17 | 70.7° | 165.8° |
| H15 | C12 | C13 | H17 | 49.4° | 45.8° |
| H2 | C1 | H3 | H1 | 120.0° | 120.1° |
| H21 | C16 | C17 | H23 | 52.8° | 142.3° |
| H21 | C16 | C17 | H22 | 66.5° | 21.6° |
| H23 | C17 | C18 | H24 | 177.7° | 69.6° |
| H23 | C17 | C18 | H25 | 61.4° | 170.4° |
| H22 | C17 | C18 | H24 | 63.1° | 51.1° |
| H22 | C17 | C18 | H25 | 57.8° | 68.9° |
| H24 | C18 | C19 | H26 | 63.9° | 52.3° |
| H24 | C18 | C19 | H27 | 176.1° | 67.5° |
| H25 | C18 | C19 | H26 | 57.0° | 172.3° |
| H25 | C18 | C19 | H27 | 63.1° | 52.6° |
| H26 | C19 | C20 | H28 | 55.8° | 113.2° |
| H26 | C19 | C20 | H29 | 63.4° | 6.7° |
| H27 | C19 | C20 | H28 | 175.9° | 6.5° |
| H27 | C19 | C20 | H29 | 56.7° | 126.4° |
| H30 | C22 | C23 | H31 | 169.8° | 178.3° |
| H31 | C23 | C24 | H32 | 53.6° | 60.0° |
| H31 | C23 | C24 | H33 | 171.3° | 179.9° |
| H31 | C23 | C28 | H40 | 48.6° | 180.0° |
| H31 | C23 | C28 | H41 | 168.1° | 60.0° |
| H32 | C24 | C25 | H35 | 63.5° | 60.1° |
| H32 | C24 | C25 | H34 | 56.6° | 59.9° |
| H33 | C24 | C25 | H35 | 54.3° | 180.0° |
| H33 | C24 | C25 | H34 | 174.3° | 60.0° |
| H35 | C25 | C26 | H37 | 55.6° | 60.0° |
| H35 | C25 | C26 | H36 | 65.0° | 180.0° |
| H34 | C25 | C26 | H37 | 175.6° | 60.0° |
| H34 | C25 | C26 | H36 | 55.1° | 60.0° |
| H37 | C26 | C27 | H39 | 60.7° | 60.0° |
| H37 | C26 | C27 | H38 | 178.6° | 59.9° |
| H36 | C26 | C27 | H39 | 59.8° | 180.0° |
| H36 | C26 | C27 | H38 | 58.1° | 60.0° |
| H39 | C27 | C28 | H40 | 63.0° | 180.0° |
| H39 | C27 | C28 | H41 | 56.5° | 60.0° |
| H38 | C27 | C28 | H40 | 54.9° | 60.0° |
| H38 | C27 | C28 | H41 | 174.4° | 60.0° |
