A1I5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C16 | N1 | sing | 1.48Å | 1.49Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| N1 | C20 | sing | 1.46Å | 1.49Å | |
| N1 | C21 | sing | 1.34Å | 1.35Å | |
| O7 | C21 | doub | 1.22Å | 1.25Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| O6 | C15 | doub | 1.21Å | 1.18Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C15 | O5 | sing | 1.34Å | 1.31Å | |
| C22 | C4 | sing | 1.52Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| O5 | C13 | sing | 1.45Å | 1.45Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | O4 | sing | 1.43Å | 1.41Å | |
| C7 | O2 | sing | 1.43Å | 1.42Å | |
| C6 | O2 | sing | 1.36Å | 1.36Å | |
| C6 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O4 | C11 | sing | 1.43Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C8 | O3 | sing | 1.37Å | 1.38Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| O3 | C9 | sing | 1.44Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.47Å | |
| 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 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | 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 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 112.2° | 108.5° |
| C17 | C18 | C19 | 106.9° | 109.4° |
| C18 | C17 | H23 | 108.8° | 109.6° |
| C18 | C17 | H22 | 108.8° | 109.6° |
| C17 | C18 | H24 | 110.1° | 109.4° |
| C17 | C18 | H25 | 110.1° | 109.5° |
| C17 | C16 | N1 | 111.9° | 109.2° |
| C17 | C16 | C15 | 107.7° | 109.3° |
| C17 | C16 | H21 | 108.1° | 110.1° |
| C16 | C17 | H23 | 108.8° | 109.8° |
| C16 | C17 | H22 | 108.8° | 109.7° |
| C18 | C19 | C20 | 110.3° | 110.1° |
| C19 | C18 | H24 | 110.1° | 109.5° |
| C19 | C18 | H25 | 110.1° | 109.6° |
| C18 | C19 | H26 | 109.2° | 109.4° |
| C18 | C19 | H27 | 109.3° | 109.4° |
| C24 | C25 | C26 | 108.2° | 109.5° |
| C25 | C24 | C23 | 112.5° | 109.4° |
| C25 | C24 | H33 | 108.7° | 109.5° |
| C25 | C24 | H32 | 108.7° | 109.5° |
| C24 | C25 | H34 | 109.8° | 109.4° |
| C24 | C25 | H35 | 109.8° | 109.5° |
| C25 | C26 | C27 | 109.6° | 109.4° |
| C26 | C25 | H34 | 109.8° | 109.4° |
| C26 | C25 | H35 | 109.8° | 109.5° |
| C25 | C26 | H36 | 109.4° | 109.5° |
| C25 | C26 | H37 | 109.4° | 109.5° |
| C19 | C20 | N1 | 111.3° | 110.0° |
| C20 | C19 | H26 | 109.3° | 109.3° |
| C20 | C19 | H27 | 109.3° | 109.3° |
| C19 | C20 | H28 | 109.0° | 108.9° |
| C19 | C20 | H29 | 109.0° | 109.4° |
| C24 | C23 | C22 | 112.4° | 109.5° |
| C24 | C23 | C28 | 109.1° | 109.5° |
| C24 | C23 | H31 | 108.1° | 109.4° |
| C23 | C24 | H33 | 108.7° | 109.4° |
| C23 | C24 | H32 | 108.7° | 109.5° |
| N1 | C16 | C15 | 112.5° | 108.3° |
| C16 | N1 | C20 | 118.2° | 119.4° |
| C16 | N1 | C21 | 119.8° | 117.9° |
| N1 | C16 | H21 | 108.5° | 109.9° |
| C16 | C15 | O6 | 125.3° | 119.5° |
| C16 | C15 | O5 | 111.7° | 120.5° |
| C15 | C16 | H21 | 108.0° | 110.0° |
| C26 | C27 | C28 | 113.7° | 109.5° |
| C27 | C26 | H36 | 109.4° | 109.5° |
| C27 | C26 | H37 | 109.4° | 109.5° |
| C26 | C27 | H38 | 108.4° | 109.5° |
| C26 | C27 | H39 | 108.4° | 109.5° |
| C20 | N1 | C21 | 121.9° | 122.6° |
| N1 | C20 | H28 | 109.0° | 109.6° |
| N1 | C20 | H29 | 109.0° | 109.8° |
| N1 | C21 | O7 | 120.4° | 119.0° |
| N1 | C21 | C22 | 120.8° | 122.3° |
| O7 | C21 | C22 | 118.7° | 118.6° |
| C21 | C22 | C23 | 109.9° | 110.8° |
| C21 | C22 | C4 | 107.0° | 104.5° |
| C21 | C22 | H30 | 108.9° | 110.4° |
| O6 | C15 | O5 | 122.9° | 120.0° |
| C22 | C23 | C28 | 111.3° | 109.5° |
| C23 | C22 | C4 | 113.7° | 110.9° |
| C23 | C22 | H30 | 108.4° | 110.2° |
| C22 | C23 | H31 | 107.7° | 109.5° |
| C23 | C28 | C27 | 113.9° | 109.5° |
| C28 | C23 | H31 | 108.1° | 109.5° |
| C23 | C28 | H41 | 108.3° | 109.4° |
| C23 | C28 | H40 | 108.4° | 109.5° |
| C15 | O5 | C13 | 122.8° | 116.6° |
| C22 | C4 | C5 | 120.5° | 119.5° |
| C22 | C4 | C3 | 119.6° | 119.9° |
| C4 | C22 | H30 | 108.9° | 109.9° |
| C28 | C27 | H38 | 108.4° | 109.5° |
| C28 | C27 | H39 | 108.4° | 109.5° |
| C27 | C28 | H41 | 108.3° | 109.5° |
| C27 | C28 | H40 | 108.3° | 109.5° |
| O5 | C13 | C12 | 93.7° | 109.7° |
| O5 | C13 | C14 | 108.8° | 109.5° |
| O5 | C13 | H17 | 112.1° | 109.7° |
| C5 | C4 | C3 | 119.6° | 120.6° |
| C4 | C5 | C6 | 120.5° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.9° |
| C4 | C3 | C2 | 120.3° | 119.7° |
| C4 | C3 | H4 | 119.9° | 120.1° |
| C5 | C6 | O2 | 125.2° | 119.8° |
| C5 | C6 | C8 | 119.8° | 120.0° |
| C6 | C5 | H5 | 119.8° | 119.2° |
| C12 | C13 | C14 | 119.0° | 109.2° |
| C13 | C12 | O4 | 111.6° | 108.9° |
| C13 | C12 | H16 | 108.9° | 109.5° |
| C13 | C12 | H15 | 109.0° | 109.5° |
| C12 | C13 | H17 | 111.1° | 109.3° |
| C13 | C14 | H18 | 109.5° | 109.5° |
| C13 | C14 | H19 | 109.4° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.4° |
| C14 | C13 | H17 | 111.0° | 109.4° |
| C3 | C2 | C8 | 119.8° | 120.0° |
| C3 | C2 | O1 | 125.4° | 119.9° |
| C2 | C3 | H4 | 119.9° | 120.2° |
| C12 | O4 | C11 | 120.7° | 114.1° |
| O4 | C12 | H16 | 108.9° | 109.7° |
| O4 | C12 | H15 | 108.9° | 109.5° |
| C7 | O2 | C6 | 120.4° | 117.0° |
| O2 | C7 | H7 | 109.5° | 109.4° |
| O2 | C7 | H8 | 109.5° | 109.5° |
| O2 | C7 | H6 | 109.5° | 109.5° |
| O2 | C6 | C8 | 114.9° | 120.3° |
| C6 | C8 | C2 | 119.7° | 119.8° |
| C6 | C8 | O3 | 124.5° | 119.7° |
| C8 | C2 | O1 | 114.6° | 120.0° |
| C2 | C8 | O3 | 115.7° | 120.5° |
| C2 | O1 | C1 | 118.9° | 117.0° |
| O4 | C11 | C10 | 103.5° | 110.4° |
| O4 | C11 | H14 | 110.9° | 109.3° |
| O4 | C11 | H13 | 111.0° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| C8 | O3 | C9 | 122.1° | 114.5° |
| C11 | C10 | C9 | 112.3° | 110.4° |
| C10 | C11 | H14 | 111.0° | 109.2° |
| C10 | C11 | H13 | 111.0° | 109.4° |
| C11 | C10 | H12 | 108.7° | 109.1° |
| C11 | C10 | H11 | 108.8° | 109.3° |
| O3 | C9 | C10 | 114.1° | 109.7° |
| O3 | C9 | H9 | 108.3° | 109.3° |
| O3 | C9 | H10 | 108.3° | 109.6° |
| C10 | C9 | H9 | 108.3° | 109.4° |
| C10 | C9 | H10 | 108.3° | 109.6° |
| C9 | C10 | H12 | 108.7° | 109.3° |
| C9 | C10 | H11 | 108.8° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 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° |
| H9 | C9 | H10 | 109.5° | 109.3° |
| H12 | C10 | H11 | 109.5° | 109.3° |
| H16 | C12 | H15 | 109.5° | 109.7° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.6° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.5° | 109.4° |
| H28 | C20 | H29 | 109.5° | 109.1° |
| H33 | C24 | H32 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.4° |
| H41 | C28 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H23 | 120.4° | 119.8° |
| C18 | C17 | C16 | H22 | 120.4° | 119.7° |
| C17 | C18 | C19 | H24 | 119.6° | 119.9° |
| C17 | C18 | C19 | H25 | 119.6° | 120.1° |
| C17 | C18 | C19 | C20 | 63.9° | 52.8° |
| C18 | C17 | C16 | N1 | 50.3° | 21.1° |
| C18 | C17 | C16 | C15 | 73.9° | 139.4° |
| C18 | C17 | C16 | H21 | 169.7° | 99.6° |
| C18 | C17 | H23 | H22 | 118.8° | 120.3° |
| C17 | C18 | H24 | H25 | 121.2° | 120.0° |
| C17 | C18 | C19 | H26 | 176.0° | 67.3° |
| C17 | C18 | C19 | H27 | 56.2° | 172.9° |
| C16 | C17 | C18 | C19 | 62.9° | 68.2° |
| C17 | C16 | N1 | C15 | 121.4° | 119.0° |
| C17 | C16 | N1 | H21 | 119.2° | 120.8° |
| C17 | C16 | C15 | H21 | 116.5° | 121.0° |
| C17 | C16 | N1 | C20 | 40.6° | 41.3° |
| C17 | C16 | N1 | C21 | 144.2° | 141.3° |
| C17 | C16 | C15 | O6 | 59.9° | 73.3° |
| C17 | C16 | C15 | O5 | 117.7° | 106.8° |
| C16 | C17 | H23 | H22 | 118.8° | 120.5° |
| C16 | C17 | C18 | H24 | 56.7° | 171.9° |
| C16 | C17 | C18 | H25 | 177.5° | 51.9° |
| C18 | C19 | C20 | H26 | 120.1° | 120.1° |
| C18 | C19 | C20 | H27 | 120.1° | 120.2° |
| C18 | C19 | C20 | N1 | 53.9° | 5.5° |
| C19 | C18 | C17 | H23 | 57.5° | 51.8° |
| C19 | C18 | C17 | H22 | 176.7° | 172.1° |
| C19 | C18 | H24 | H25 | 121.2° | 120.1° |
| C18 | C19 | H26 | H27 | 119.6° | 119.8° |
| C18 | C19 | C20 | H28 | 66.3° | 125.7° |
| C18 | C19 | C20 | H29 | 174.2° | 115.1° |
| C24 | C25 | C26 | H34 | 119.8° | 120.0° |
| C24 | C25 | C26 | H35 | 119.8° | 120.0° |
| C25 | C24 | C23 | H33 | 120.5° | 119.9° |
| C25 | C24 | C23 | H32 | 120.4° | 120.0° |
| C24 | C25 | C26 | C27 | 60.8° | 60.0° |
| C25 | C24 | C23 | C22 | 179.7° | 180.0° |
| C25 | C24 | C23 | C28 | 56.3° | 60.0° |
| C25 | C24 | C23 | H31 | 61.0° | 60.0° |
| C25 | C24 | H33 | H32 | 118.6° | 120.1° |
| C24 | C25 | H34 | H35 | 120.6° | 120.0° |
| C24 | C25 | C26 | H36 | 59.3° | 60.0° |
| C24 | C25 | C26 | H37 | 179.2° | 180.0° |
| C26 | C25 | C24 | C23 | 64.4° | 60.0° |
| C25 | C26 | C27 | H36 | 120.0° | 120.0° |
| C25 | C26 | C27 | H37 | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 53.6° | 60.0° |
| C26 | C25 | C24 | H33 | 175.1° | 59.9° |
| C26 | C25 | C24 | H32 | 56.0° | 180.0° |
| C26 | C25 | H34 | H35 | 120.6° | 120.0° |
| C25 | C26 | H36 | H37 | 120.0° | 120.0° |
| C25 | C26 | C27 | H38 | 174.3° | 180.0° |
| C25 | C26 | C27 | H39 | 67.0° | 60.0° |
| C19 | C20 | N1 | C16 | 42.3° | 56.6° |
| C19 | C20 | N1 | H28 | 120.3° | 119.8° |
| C19 | C20 | N1 | H29 | 120.3° | 120.4° |
| C19 | C20 | N1 | C21 | 142.7° | 126.1° |
| C20 | C19 | C18 | H24 | 55.7° | 172.7° |
| C20 | C19 | C18 | H25 | 176.5° | 67.2° |
| C20 | C19 | H26 | H27 | 119.6° | 119.6° |
| C19 | C20 | H28 | H29 | 119.2° | 119.4° |
| C24 | C23 | C22 | C21 | 75.0° | 60.0° |
| C24 | C23 | C22 | C28 | 122.7° | 120.0° |
| C24 | C23 | C22 | H31 | 119.0° | 119.9° |
| C24 | C23 | C28 | H31 | 117.3° | 120.0° |
| C24 | C23 | C22 | C4 | 165.1° | 175.6° |
| C24 | C23 | C28 | C27 | 46.8° | 60.0° |
| C24 | C23 | C22 | H30 | 43.8° | 62.5° |
| C23 | C24 | H33 | H32 | 118.6° | 120.0° |
| C23 | C24 | C25 | H34 | 175.8° | 179.9° |
| C23 | C24 | C25 | H35 | 55.4° | 60.1° |
| C24 | C23 | C28 | H41 | 167.5° | 180.0° |
| C24 | C23 | C28 | H40 | 73.9° | 60.0° |
| N1 | C16 | C15 | H21 | 119.7° | 120.1° |
| C16 | N1 | C20 | C21 | 175.0° | 177.3° |
| C16 | N1 | C21 | O7 | 1.5° | 36.0° |
| C16 | N1 | C21 | C22 | 175.0° | 144.3° |
| N1 | C16 | C15 | O6 | 176.4° | 45.6° |
| N1 | C16 | C15 | O5 | 6.1° | 134.3° |
| N1 | C16 | C17 | H23 | 70.1° | 98.7° |
| N1 | C16 | C17 | H22 | 170.7° | 140.8° |
| C16 | N1 | C20 | H28 | 78.0° | 176.4° |
| C16 | N1 | C20 | H29 | 162.5° | 63.8° |
| C15 | C16 | N1 | C20 | 80.7° | 77.7° |
| C15 | C16 | N1 | C21 | 94.4° | 99.7° |
| C16 | C15 | O6 | O5 | 177.3° | 179.9° |
| C16 | C15 | O5 | C13 | 169.6° | 178.8° |
| C15 | C16 | C17 | H23 | 165.8° | 19.6° |
| C15 | C16 | C17 | H22 | 46.6° | 100.9° |
| C26 | C27 | C28 | C23 | 47.4° | 60.0° |
| C26 | C27 | C28 | H38 | 120.6° | 120.0° |
| C26 | C27 | C28 | H39 | 120.6° | 120.1° |
| C27 | C26 | C25 | H34 | 179.4° | 180.0° |
| C27 | C26 | C25 | H35 | 59.1° | 60.0° |
| C27 | C26 | H36 | H37 | 119.9° | 120.0° |
| C26 | C27 | H38 | H39 | 118.0° | 120.0° |
| C26 | C27 | C28 | H41 | 168.1° | 180.0° |
| C26 | C27 | C28 | H40 | 73.3° | 60.0° |
| C20 | N1 | C21 | O7 | 176.5° | 146.6° |
| C20 | N1 | C21 | C22 | 0.1° | 33.0° |
| C20 | N1 | C16 | H21 | 159.8° | 162.1° |
| N1 | C20 | C19 | H26 | 174.0° | 125.7° |
| N1 | C20 | C19 | H27 | 66.2° | 114.6° |
| N1 | C20 | H28 | H29 | 119.2° | 120.2° |
| N1 | C21 | O7 | C22 | 176.6° | 179.7° |
| N1 | C21 | C22 | C23 | 156.9° | 146.2° |
| N1 | C21 | C22 | C4 | 79.3° | 94.3° |
| C21 | N1 | C16 | H21 | 25.1° | 20.5° |
| C21 | N1 | C20 | H28 | 97.1° | 6.3° |
| C21 | N1 | C20 | H29 | 22.4° | 113.5° |
| N1 | C21 | C22 | H30 | 38.3° | 23.8° |
| O7 | C21 | C22 | C23 | 26.5° | 33.5° |
| O7 | C21 | C22 | C4 | 97.3° | 86.0° |
| O7 | C21 | C22 | H30 | 145.1° | 155.8° |
| C21 | C22 | C23 | C4 | 119.9° | 115.6° |
| C21 | C22 | C23 | H30 | 118.9° | 122.5° |
| C21 | C22 | C23 | C28 | 162.2° | 180.0° |
| C21 | C22 | C4 | H30 | 117.5° | 118.5° |
| C21 | C22 | C4 | C5 | 126.1° | 72.6° |
| C21 | C22 | C4 | C3 | 58.9° | 104.5° |
| C21 | C22 | C23 | H31 | 44.0° | 60.0° |
| O6 | C15 | O5 | C13 | 8.0° | 1.3° |
| O6 | C15 | C16 | H21 | 56.6° | 165.7° |
| C22 | C23 | C28 | H31 | 118.0° | 120.0° |
| C23 | C22 | C4 | H30 | 121.0° | 122.1° |
| C22 | C23 | C28 | C27 | 171.4° | 180.0° |
| C23 | C22 | C4 | C5 | 112.4° | 46.8° |
| C23 | C22 | C4 | C3 | 62.6° | 136.0° |
| C22 | C23 | C24 | H33 | 59.3° | 60.0° |
| C22 | C23 | C24 | H32 | 59.8° | 60.0° |
| C22 | C23 | C28 | H41 | 67.9° | 60.0° |
| C22 | C23 | C28 | H40 | 50.8° | 60.0° |
| C28 | C23 | C22 | C4 | 42.4° | 64.4° |
| C23 | C28 | C27 | H41 | 120.6° | 120.0° |
| C23 | C28 | C27 | H40 | 120.7° | 120.0° |
| C28 | C23 | C22 | H30 | 78.9° | 57.5° |
| C28 | C23 | C24 | H33 | 176.8° | 60.0° |
| C28 | C23 | C24 | H32 | 64.1° | 180.0° |
| C23 | C28 | C27 | H38 | 168.1° | 180.0° |
| C23 | C28 | C27 | H39 | 73.2° | 60.0° |
| C23 | C28 | H41 | H40 | 118.0° | 120.0° |
| C15 | O5 | C13 | C12 | 163.0° | 147.4° |
| C15 | O5 | C13 | C14 | 74.6° | 92.7° |
| C15 | O5 | C13 | H17 | 48.4° | 27.4° |
| O5 | C15 | C16 | H21 | 125.8° | 14.2° |
| C22 | C4 | C5 | C3 | 174.9° | 177.1° |
| C22 | C4 | C5 | C6 | 179.2° | 174.9° |
| C22 | C4 | C3 | C2 | 176.0° | 174.4° |
| C22 | C4 | C5 | H5 | 0.8° | 4.5° |
| C22 | C4 | C3 | H4 | 4.0° | 5.5° |
| C4 | C22 | C23 | H31 | 75.9° | 55.6° |
| C27 | C28 | C23 | H31 | 70.5° | 60.0° |
| C28 | C27 | C26 | H36 | 66.4° | 60.0° |
| C28 | C27 | C26 | H37 | 173.6° | 180.0° |
| C28 | C27 | H38 | H39 | 118.1° | 120.0° |
| C27 | C28 | H41 | H40 | 118.0° | 120.0° |
| O5 | C13 | C12 | C14 | 113.9° | 120.0° |
| O5 | C13 | C12 | H17 | 115.4° | 120.3° |
| O5 | C13 | C14 | H17 | 123.7° | 120.2° |
| O5 | C13 | C12 | O4 | 174.2° | 147.5° |
| O5 | C13 | C14 | H18 | 180.0° | 60.2° |
| O5 | C13 | C14 | H19 | 60.0° | 59.8° |
| O5 | C13 | C14 | H20 | 60.0° | 179.8° |
| O5 | C13 | C12 | H16 | 53.8° | 27.5° |
| O5 | C13 | C12 | H15 | 65.5° | 92.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C5 | C4 | C3 | C2 | 1.0° | 2.7° |
| C4 | C5 | C6 | O2 | 174.8° | 179.5° |
| C4 | C5 | C6 | C8 | 3.5° | 0.4° |
| C5 | C4 | C3 | H4 | 179.0° | 177.4° |
| C5 | C4 | C22 | H30 | 8.6° | 168.9° |
| C3 | C4 | C5 | C6 | 4.3° | 2.2° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C8 | 3.0° | 0.5° |
| C4 | C3 | C2 | O1 | 177.2° | 179.4° |
| C3 | C4 | C5 | H5 | 175.7° | 178.4° |
| C3 | C4 | C22 | H30 | 176.5° | 13.9° |
| C5 | C6 | O2 | C7 | 5.9° | 0.0° |
| C5 | C6 | O2 | C8 | 178.3° | 180.0° |
| C5 | C6 | C8 | C2 | 0.6° | 2.5° |
| C5 | C6 | C8 | O3 | 179.6° | 177.2° |
| C12 | C13 | C14 | H17 | 130.8° | 119.6° |
| C13 | C12 | O4 | H16 | 120.3° | 119.9° |
| C13 | C12 | O4 | H15 | 120.3° | 119.7° |
| C13 | C12 | O4 | C11 | 171.4° | 168.6° |
| C12 | C13 | C14 | H18 | 74.5° | 60.0° |
| C12 | C13 | C14 | H19 | 45.5° | 180.0° |
| C12 | C13 | C14 | H20 | 165.5° | 60.0° |
| C13 | C12 | H16 | H15 | 119.0° | 120.2° |
| C14 | C13 | C12 | O4 | 71.9° | 92.5° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C13 | C14 | H18 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H20 | 120.0° | 120.0° |
| C14 | C13 | C12 | H16 | 167.7° | 147.5° |
| C14 | C13 | C12 | H15 | 48.4° | 27.3° |
| C3 | C2 | C8 | C6 | 3.8° | 2.1° |
| C3 | C2 | C8 | O1 | 174.8° | 179.9° |
| C3 | C2 | O1 | C1 | 3.3° | 0.1° |
| C3 | C2 | C8 | O3 | 176.4° | 177.6° |
| C12 | O4 | C11 | C10 | 91.2° | 115.6° |
| C12 | O4 | C11 | H14 | 149.8° | 124.3° |
| C12 | O4 | C11 | H13 | 27.9° | 4.8° |
| O4 | C12 | H16 | H15 | 119.0° | 120.3° |
| O4 | C12 | C13 | H17 | 58.8° | 27.2° |
| C7 | O2 | C6 | C8 | 172.4° | 179.9° |
| O2 | C7 | H7 | H8 | 120.0° | 120.0° |
| O2 | C7 | H7 | H6 | 120.0° | 120.0° |
| O2 | C7 | H8 | H6 | 120.0° | 120.0° |
| O2 | C6 | C8 | C2 | 179.0° | 177.4° |
| O2 | C6 | C8 | O3 | 1.2° | 2.9° |
| O2 | C6 | C5 | H5 | 5.2° | 1.0° |
| C6 | O2 | C7 | H7 | 180.0° | 59.9° |
| C6 | O2 | C7 | H8 | 60.0° | 60.0° |
| C6 | O2 | C7 | H6 | 60.0° | 180.0° |
| C6 | C8 | C2 | O3 | 179.8° | 179.7° |
| C6 | C8 | C2 | O1 | 178.6° | 178.0° |
| C6 | C8 | O3 | C9 | 54.8° | 61.4° |
| C8 | C6 | C5 | H5 | 176.5° | 179.0° |
| C8 | C2 | O1 | C1 | 177.8° | 180.0° |
| C2 | C8 | O3 | C9 | 125.4° | 118.4° |
| C8 | C2 | C3 | H4 | 177.0° | 179.5° |
| O1 | C2 | C8 | O3 | 1.6° | 2.2° |
| O1 | C2 | C3 | H4 | 2.7° | 0.6° |
| 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 | 119.0° | 120.1° |
| O4 | C11 | C10 | H13 | 119.1° | 120.4° |
| O4 | C11 | C10 | C9 | 139.8° | 82.1° |
| O4 | C11 | H14 | H13 | 122.8° | 119.6° |
| O4 | C11 | C10 | H12 | 19.4° | 157.8° |
| O4 | C11 | C10 | H11 | 99.8° | 38.4° |
| C11 | O4 | C12 | H16 | 68.3° | 48.7° |
| C11 | O4 | C12 | H15 | 51.1° | 71.7° |
| 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 | 69.4° | 126.3° |
| C8 | O3 | C9 | H9 | 51.3° | 6.4° |
| C8 | O3 | C9 | H10 | 169.9° | 113.4° |
| C11 | C10 | C9 | O3 | 111.9° | 142.4° |
| C11 | C10 | C9 | H12 | 120.4° | 120.0° |
| C11 | C10 | C9 | H11 | 120.4° | 120.4° |
| C10 | C11 | H14 | H13 | 122.8° | 119.5° |
| C11 | C10 | C9 | H9 | 8.7° | 22.6° |
| C11 | C10 | C9 | H10 | 127.4° | 97.3° |
| C11 | C10 | H12 | H11 | 118.7° | 119.4° |
| O3 | C9 | C10 | H9 | 120.7° | 119.8° |
| O3 | C9 | C10 | H10 | 120.7° | 120.3° |
| O3 | C9 | H9 | H10 | 117.8° | 119.9° |
| O3 | C9 | C10 | H12 | 8.5° | 97.6° |
| O3 | C9 | C10 | H11 | 127.6° | 22.0° |
| C9 | C10 | C11 | H14 | 101.2° | 157.8° |
| C9 | C10 | C11 | H13 | 20.7° | 38.4° |
| C10 | C9 | H9 | H10 | 117.9° | 120.0° |
| C9 | C10 | H12 | H11 | 118.7° | 119.8° |
| H18 | C14 | H19 | H20 | 120.0° | 120.0° |
| H18 | C14 | C13 | H17 | 56.3° | 179.6° |
| H19 | C14 | C13 | H17 | 176.3° | 60.4° |
| H20 | C14 | C13 | H17 | 63.7° | 59.6° |
| H14 | C11 | C10 | H12 | 138.4° | 37.7° |
| H14 | C11 | C10 | H11 | 19.3° | 81.7° |
| H13 | C11 | C10 | H12 | 99.7° | 81.7° |
| H13 | C11 | C10 | H11 | 141.2° | 158.9° |
| H7 | C7 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H12 | 129.2° | 142.6° |
| H9 | C9 | C10 | H11 | 111.7° | 97.8° |
| H10 | C9 | C10 | H12 | 112.2° | 22.7° |
| H10 | C9 | C10 | H11 | 7.0° | 142.3° |
| H16 | C12 | C13 | H17 | 61.5° | 92.8° |
| H15 | C12 | C13 | H17 | 179.1° | 147.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H21 | C16 | C17 | H23 | 49.3° | 140.6° |
| H21 | C16 | C17 | H22 | 69.9° | 20.1° |
| H23 | C17 | C18 | H24 | 177.1° | 68.2° |
| H23 | C17 | C18 | H25 | 62.1° | 171.9° |
| H22 | C17 | C18 | H24 | 63.7° | 52.1° |
| H22 | C17 | C18 | H25 | 57.1° | 67.9° |
| H24 | C18 | C19 | H26 | 64.4° | 52.6° |
| H24 | C18 | C19 | H27 | 175.9° | 67.2° |
| H25 | C18 | C19 | H26 | 56.4° | 172.7° |
| H25 | C18 | C19 | H27 | 63.3° | 52.9° |
| H26 | C19 | C20 | H28 | 53.8° | 114.1° |
| H26 | C19 | C20 | H29 | 65.7° | 5.1° |
| H27 | C19 | C20 | H28 | 173.5° | 5.6° |
| H27 | C19 | C20 | H29 | 54.1° | 124.8° |
| H30 | C22 | C23 | H31 | 162.8° | 177.5° |
| H31 | C23 | C24 | H33 | 59.4° | 180.0° |
| H31 | C23 | C24 | H32 | 178.5° | 60.0° |
| H31 | C23 | C28 | H41 | 50.1° | 60.0° |
| H31 | C23 | C28 | H40 | 168.8° | 180.0° |
| H33 | C24 | C25 | H34 | 55.3° | 60.0° |
| H33 | C24 | C25 | H35 | 65.0° | 180.0° |
| H32 | C24 | C25 | H34 | 63.8° | 60.0° |
| H32 | C24 | C25 | H35 | 175.9° | 60.0° |
| H34 | C25 | C26 | H36 | 60.5° | 60.0° |
| H34 | C25 | C26 | H37 | 59.5° | 60.0° |
| H35 | C25 | C26 | H36 | 179.1° | 180.0° |
| H35 | C25 | C26 | H37 | 60.9° | 60.0° |
| H36 | C26 | C27 | H38 | 54.2° | 60.0° |
| H36 | C26 | C27 | H39 | 173.0° | 180.0° |
| H37 | C26 | C27 | H38 | 65.8° | 60.0° |
| H37 | C26 | C27 | H39 | 53.0° | 60.0° |
| H38 | C27 | C28 | H41 | 71.3° | 60.0° |
| H38 | C27 | C28 | H40 | 47.4° | 60.0° |
| H39 | C27 | C28 | H41 | 47.5° | 59.9° |
| H39 | C27 | C28 | H40 | 166.1° | 180.0° |
