A1IN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C8 | sing | 1.36Å | 1.38Å | |
| O5 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| O2 | C7 | sing | 1.43Å | 1.40Å | |
| O2 | C6 | sing | 1.36Å | 1.37Å | |
| C8 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.34Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | O6 | sing | 1.45Å | 1.47Å | |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C21 | sing | 1.51Å | 1.53Å | |
| O6 | C14 | sing | 1.34Å | 1.34Å | |
| C27 | C26 | sing | 1.53Å | 1.49Å | |
| C27 | C22 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C14 | O7 | doub | 1.21Å | 1.20Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C20 | O8 | doub | 1.21Å | 1.22Å | |
| C20 | N1 | sing | 1.34Å | 1.37Å | |
| C19 | N1 | sing | 1.47Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| N1 | C15 | sing | 1.47Å | 1.48Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| 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 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | 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 | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | 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) |
| O4 | C10 | C9 | 110.7° | 109.4° |
| O4 | C10 | C11 | 110.2° | 109.4° |
| O4 | C10 | H11 | 107.2° | 109.4° |
| C10 | O4 | H12 | 109.5° | 114.0° |
| C9 | C10 | C11 | 116.2° | 109.7° |
| C10 | C9 | O3 | 102.9° | 109.0° |
| C10 | C9 | H10 | 111.1° | 109.5° |
| C10 | C9 | H9 | 111.1° | 109.6° |
| C9 | C10 | H11 | 106.2° | 109.4° |
| C10 | C11 | O5 | 111.1° | 109.5° |
| C10 | C11 | C12 | 114.3° | 109.3° |
| C10 | C11 | H13 | 107.9° | 109.4° |
| C11 | C10 | H11 | 105.9° | 109.4° |
| C9 | O3 | C8 | 114.6° | 116.2° |
| O3 | C9 | H10 | 111.1° | 109.5° |
| O3 | C9 | H9 | 111.1° | 109.5° |
| O3 | C8 | C6 | 129.6° | 119.9° |
| O3 | C8 | C2 | 112.3° | 120.3° |
| O5 | C11 | C12 | 106.0° | 109.5° |
| O5 | C11 | H13 | 109.4° | 109.5° |
| C11 | O5 | H14 | 109.5° | 114.0° |
| C11 | C12 | C13 | 120.3° | 109.5° |
| C12 | C11 | H13 | 108.1° | 109.5° |
| C11 | C12 | H15 | 106.7° | 109.4° |
| C11 | C12 | H16 | 106.7° | 109.5° |
| C7 | O2 | C6 | 119.5° | 117.0° |
| O2 | C7 | H7 | 109.5° | 109.5° |
| O2 | C7 | H8 | 109.5° | 109.5° |
| O2 | C7 | H6 | 109.5° | 109.4° |
| O2 | C6 | C8 | 116.3° | 120.1° |
| O2 | C6 | C5 | 123.5° | 120.0° |
| C6 | C8 | C2 | 118.0° | 119.8° |
| C8 | C6 | C5 | 120.2° | 119.9° |
| C8 | C2 | O1 | 112.9° | 120.0° |
| C8 | C2 | C3 | 121.8° | 119.9° |
| C2 | O1 | C1 | 115.2° | 117.0° |
| O1 | C2 | C3 | 125.3° | 120.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C6 | C5 | C4 | 121.3° | 120.1° |
| C6 | C5 | H5 | 119.3° | 120.0° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C2 | C3 | H4 | 120.1° | 120.0° |
| C12 | C13 | O6 | 105.3° | 109.5° |
| C13 | C12 | H15 | 106.7° | 109.5° |
| C13 | C12 | H16 | 106.7° | 109.5° |
| C12 | C13 | H17 | 110.5° | 109.5° |
| C12 | C13 | H18 | 110.5° | 109.5° |
| C5 | C4 | C3 | 118.2° | 120.3° |
| C5 | C4 | C21 | 119.8° | 119.0° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C13 | O6 | C14 | 120.3° | 117.1° |
| O6 | C13 | H17 | 110.5° | 109.5° |
| O6 | C13 | H18 | 110.5° | 109.4° |
| C3 | C4 | C21 | 121.2° | 120.7° |
| C4 | C3 | H4 | 120.1° | 120.0° |
| C4 | C21 | C22 | 118.3° | 110.0° |
| C4 | C21 | C20 | 103.7° | 106.7° |
| C4 | C21 | H28 | 107.9° | 110.0° |
| O6 | C14 | O7 | 125.6° | 119.8° |
| O6 | C14 | C15 | 111.2° | 120.5° |
| C26 | C27 | C22 | 114.0° | 109.5° |
| C27 | C26 | C25 | 107.0° | 109.5° |
| C27 | C26 | H37 | 110.1° | 109.5° |
| C27 | C26 | H36 | 110.1° | 109.5° |
| C26 | C27 | H38 | 108.3° | 109.5° |
| C26 | C27 | H39 | 108.3° | 109.5° |
| C27 | C22 | C21 | 109.5° | 109.5° |
| C27 | C22 | C23 | 107.7° | 109.5° |
| C27 | C22 | H29 | 109.7° | 109.5° |
| C22 | C27 | H38 | 108.3° | 109.4° |
| C22 | C27 | H39 | 108.4° | 109.4° |
| C26 | C25 | C24 | 108.0° | 109.4° |
| C26 | C25 | H35 | 109.9° | 109.5° |
| C26 | C25 | H34 | 109.8° | 109.5° |
| C25 | C26 | H37 | 110.1° | 109.5° |
| C25 | C26 | H36 | 110.1° | 109.5° |
| C22 | C21 | C20 | 110.8° | 110.0° |
| C21 | C22 | C23 | 111.3° | 109.4° |
| C22 | C21 | H28 | 107.6° | 110.0° |
| C21 | C22 | H29 | 109.3° | 109.5° |
| C21 | C20 | O8 | 116.5° | 119.5° |
| C21 | C20 | N1 | 122.4° | 121.0° |
| C20 | C21 | H28 | 108.1° | 110.1° |
| O7 | C14 | C15 | 123.2° | 119.8° |
| C14 | C15 | N1 | 117.2° | 109.0° |
| C14 | C15 | C16 | 104.9° | 109.2° |
| C14 | C15 | H19 | 107.5° | 109.9° |
| C22 | C23 | C24 | 107.7° | 109.4° |
| C23 | C22 | H29 | 109.4° | 109.5° |
| C22 | C23 | H30 | 109.9° | 109.5° |
| C22 | C23 | H31 | 109.9° | 109.5° |
| O8 | C20 | N1 | 120.9° | 119.5° |
| C20 | N1 | C19 | 122.2° | 120.0° |
| C20 | N1 | C15 | 117.8° | 120.4° |
| N1 | C19 | C18 | 111.2° | 108.8° |
| C19 | N1 | C15 | 118.4° | 119.6° |
| N1 | C19 | H27 | 109.0° | 109.6° |
| N1 | C19 | H26 | 109.0° | 109.6° |
| C19 | C18 | C17 | 109.7° | 109.7° |
| C19 | C18 | H25 | 109.4° | 109.4° |
| C19 | C18 | H24 | 109.4° | 109.4° |
| C18 | C19 | H27 | 109.0° | 109.6° |
| C18 | C19 | H26 | 109.0° | 109.5° |
| N1 | C15 | C16 | 111.5° | 109.4° |
| N1 | C15 | H19 | 107.9° | 109.4° |
| C25 | C24 | C23 | 112.3° | 109.5° |
| C25 | C24 | H33 | 108.8° | 109.4° |
| C25 | C24 | H32 | 108.8° | 109.5° |
| C24 | C25 | H35 | 109.8° | 109.5° |
| C24 | C25 | H34 | 109.9° | 109.5° |
| C15 | C16 | C17 | 110.4° | 109.2° |
| C16 | C15 | H19 | 107.3° | 109.9° |
| C15 | C16 | H20 | 109.3° | 109.5° |
| C15 | C16 | H21 | 109.3° | 109.6° |
| C18 | C17 | C16 | 108.3° | 109.5° |
| C18 | C17 | H23 | 109.8° | 109.5° |
| C18 | C17 | H22 | 109.8° | 109.4° |
| C17 | C18 | H25 | 109.4° | 109.4° |
| C17 | C18 | H24 | 109.4° | 109.5° |
| C17 | C16 | H20 | 109.3° | 109.5° |
| C17 | C16 | H21 | 109.3° | 109.6° |
| C16 | C17 | H23 | 109.8° | 109.5° |
| C16 | C17 | H22 | 109.8° | 109.5° |
| C24 | C23 | H30 | 109.9° | 109.5° |
| C24 | C23 | H31 | 109.9° | 109.4° |
| C23 | C24 | H33 | 108.8° | 109.5° |
| C23 | C24 | H32 | 108.8° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H6 | 109.5° | 109.4° |
| H8 | C7 | H6 | 109.5° | 109.4° |
| H10 | C9 | H9 | 109.5° | 109.6° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 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° |
| H20 | C16 | H21 | 109.4° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.5° |
| H25 | C18 | H24 | 109.4° | 109.5° |
| H27 | C19 | H26 | 109.5° | 109.7° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H33 | C24 | H32 | 109.5° | 109.5° |
| H35 | C25 | H34 | 109.4° | 109.5° |
| H37 | C26 | H36 | 109.5° | 109.4° |
| H38 | C27 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C10 | C9 | C11 | 126.6° | 120.1° |
| O4 | C10 | C9 | H11 | 116.0° | 119.9° |
| O4 | C10 | C11 | H11 | 115.6° | 119.9° |
| O4 | C10 | C9 | O3 | 102.7° | 86.9° |
| O4 | C10 | C11 | O5 | 52.7° | 76.3° |
| O4 | C10 | C11 | C12 | 172.5° | 43.7° |
| O4 | C10 | C11 | H13 | 67.2° | 163.6° |
| O4 | C10 | C9 | H10 | 16.3° | 33.0° |
| O4 | C10 | C9 | H9 | 138.4° | 153.2° |
| C9 | C10 | C11 | H11 | 117.5° | 120.0° |
| C10 | C9 | O3 | H10 | 119.0° | 119.8° |
| C10 | C9 | O3 | H9 | 118.9° | 120.0° |
| C10 | C9 | O3 | C8 | 77.7° | 8.6° |
| C9 | C10 | C11 | O5 | 179.5° | 43.8° |
| C9 | C10 | C11 | C12 | 60.6° | 163.8° |
| C9 | C10 | C11 | H13 | 59.6° | 76.3° |
| C10 | C9 | H10 | H9 | 123.0° | 120.3° |
| C9 | C10 | O4 | H12 | 180.0° | 63.6° |
| C11 | C10 | C9 | O3 | 130.7° | 153.1° |
| C10 | C11 | O5 | C12 | 124.7° | 119.9° |
| C10 | C11 | O5 | H13 | 119.0° | 120.0° |
| C10 | C11 | C12 | H13 | 120.1° | 119.9° |
| C10 | C11 | C12 | C13 | 125.6° | 70.7° |
| C11 | C10 | C9 | H10 | 110.3° | 87.1° |
| C11 | C10 | C9 | H9 | 11.8° | 33.2° |
| C10 | C11 | C12 | H15 | 4.1° | 169.3° |
| C10 | C11 | C12 | H16 | 112.9° | 49.4° |
| C11 | C10 | O4 | H12 | 50.1° | 56.7° |
| C10 | C11 | O5 | H14 | 180.0° | 179.8° |
| C9 | O3 | C8 | C6 | 99.8° | 68.4° |
| C9 | O3 | C8 | C2 | 77.4° | 110.0° |
| O3 | C9 | H10 | H9 | 123.0° | 120.2° |
| O3 | C9 | C10 | H11 | 13.3° | 33.0° |
| O3 | C8 | C6 | O2 | 1.5° | 3.7° |
| O3 | C8 | C6 | C2 | 177.2° | 178.4° |
| O3 | C8 | C2 | O1 | 2.2° | 3.8° |
| O3 | C8 | C6 | C5 | 178.4° | 176.3° |
| O3 | C8 | C2 | C3 | 179.0° | 176.2° |
| C8 | O3 | C9 | H10 | 163.3° | 111.3° |
| C8 | O3 | C9 | H9 | 41.2° | 128.5° |
| O5 | C11 | C12 | H13 | 117.2° | 120.1° |
| O5 | C11 | C12 | C13 | 2.9° | 169.4° |
| O5 | C11 | C10 | H11 | 62.9° | 163.8° |
| O5 | C11 | C12 | H15 | 118.5° | 49.4° |
| O5 | C11 | C12 | H16 | 124.4° | 70.6° |
| C11 | C12 | C13 | H15 | 121.5° | 120.0° |
| C11 | C12 | C13 | H16 | 121.5° | 120.0° |
| C11 | C12 | C13 | O6 | 170.7° | 110.2° |
| C12 | C11 | C10 | H11 | 56.9° | 76.2° |
| C11 | C12 | H15 | H16 | 115.2° | 119.9° |
| C11 | C12 | C13 | H17 | 69.9° | 9.8° |
| C11 | C12 | C13 | H18 | 51.4° | 129.8° |
| C12 | C11 | O5 | H14 | 55.3° | 60.0° |
| C7 | O2 | C6 | C8 | 174.3° | 180.0° |
| C7 | O2 | C6 | C5 | 5.8° | 0.1° |
| O2 | C7 | H7 | H8 | 120.0° | 120.1° |
| O2 | C7 | H7 | H6 | 120.0° | 120.0° |
| O2 | C7 | H8 | H6 | 120.0° | 120.0° |
| O2 | C6 | C8 | C5 | 179.9° | 180.0° |
| O2 | C6 | C8 | C2 | 178.7° | 178.0° |
| O2 | C6 | C5 | C4 | 174.4° | 179.8° |
| O2 | C6 | C5 | H5 | 5.7° | 0.2° |
| C6 | O2 | C7 | H7 | 180.0° | 180.0° |
| C6 | O2 | C7 | H8 | 60.0° | 59.9° |
| C6 | O2 | C7 | H6 | 60.0° | 60.0° |
| C6 | C8 | C2 | O1 | 179.8° | 177.9° |
| C6 | C8 | C2 | C3 | 1.4° | 2.1° |
| C8 | C6 | C5 | C4 | 5.5° | 0.2° |
| C8 | C6 | C5 | H5 | 174.5° | 179.8° |
| C8 | C2 | O1 | C3 | 178.8° | 180.0° |
| C8 | C2 | O1 | C1 | 168.1° | 180.0° |
| C2 | C8 | C6 | C5 | 1.2° | 2.0° |
| C8 | C2 | C3 | C4 | 5.8° | 0.0° |
| C8 | C2 | C3 | H4 | 174.3° | 180.0° |
| O1 | C2 | C3 | C4 | 175.5° | 180.0° |
| O1 | C2 | C3 | H4 | 4.5° | 0.0° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| C1 | O1 | C2 | C3 | 10.7° | 0.0° |
| O1 | C1 | H2 | H3 | 120.0° | 119.9° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 9.7° | 2.3° |
| C6 | C5 | C4 | C21 | 179.8° | 177.2° |
| C2 | C3 | C4 | C5 | 9.7° | 2.2° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C21 | 179.7° | 177.3° |
| C12 | C13 | O6 | H17 | 119.4° | 120.0° |
| C12 | C13 | O6 | H18 | 119.3° | 120.0° |
| C12 | C13 | O6 | C14 | 160.5° | 172.7° |
| C13 | C12 | C11 | H13 | 114.3° | 49.3° |
| C13 | C12 | H15 | H16 | 115.1° | 120.0° |
| C12 | C13 | H17 | H18 | 121.9° | 120.0° |
| C5 | C4 | C3 | C21 | 170.0° | 179.5° |
| C5 | C4 | C21 | C22 | 53.8° | 60.3° |
| C5 | C4 | C21 | C20 | 69.4° | 59.0° |
| C5 | C4 | C3 | H4 | 170.3° | 177.8° |
| C5 | C4 | C21 | H28 | 176.2° | 178.5° |
| C13 | O6 | C14 | O7 | 7.5° | 1.7° |
| C13 | O6 | C14 | C15 | 172.6° | 178.5° |
| O6 | C13 | C12 | H15 | 49.2° | 129.8° |
| O6 | C13 | C12 | H16 | 67.8° | 9.8° |
| O6 | C13 | H17 | H18 | 121.9° | 120.0° |
| C3 | C4 | C21 | C22 | 116.0° | 120.2° |
| C3 | C4 | C21 | C20 | 120.8° | 120.5° |
| C3 | C4 | C5 | H5 | 170.2° | 177.7° |
| C3 | C4 | C21 | H28 | 6.4° | 1.1° |
| C4 | C21 | C22 | C27 | 53.0° | 60.0° |
| C4 | C21 | C22 | C20 | 119.5° | 117.3° |
| C4 | C21 | C22 | H28 | 122.5° | 121.3° |
| C4 | C21 | C20 | H28 | 114.3° | 119.3° |
| C4 | C21 | C22 | C23 | 171.9° | 180.0° |
| C4 | C21 | C20 | O8 | 94.0° | 93.1° |
| C4 | C21 | C20 | N1 | 81.0° | 86.9° |
| C21 | C4 | C5 | H5 | 0.1° | 2.8° |
| C21 | C4 | C3 | H4 | 0.3° | 2.7° |
| C4 | C21 | C22 | H29 | 67.2° | 60.0° |
| O6 | C14 | O7 | C15 | 179.8° | 179.9° |
| O6 | C14 | C15 | N1 | 1.4° | 101.7° |
| O6 | C14 | C15 | C16 | 122.9° | 138.8° |
| C14 | O6 | C13 | H17 | 41.2° | 67.3° |
| C14 | O6 | C13 | H18 | 80.2° | 52.7° |
| O6 | C14 | C15 | H19 | 123.0° | 18.2° |
| C26 | C27 | C22 | H38 | 120.7° | 120.0° |
| C26 | C27 | C22 | H39 | 120.7° | 120.0° |
| C27 | C26 | C25 | H37 | 119.6° | 120.0° |
| C27 | C26 | C25 | H36 | 119.6° | 120.0° |
| C26 | C27 | C22 | C21 | 178.1° | 180.0° |
| C26 | C27 | C22 | C23 | 60.8° | 60.0° |
| C27 | C26 | C25 | C24 | 61.8° | 60.0° |
| C26 | C27 | C22 | H29 | 58.2° | 60.0° |
| C27 | C26 | C25 | H35 | 178.4° | 60.0° |
| C27 | C26 | C25 | H34 | 58.0° | 180.0° |
| C27 | C26 | H37 | H36 | 121.2° | 120.0° |
| C26 | C27 | H38 | H39 | 118.0° | 120.0° |
| C22 | C27 | C26 | C25 | 64.5° | 60.0° |
| C27 | C22 | C21 | C23 | 118.9° | 120.0° |
| C27 | C22 | C21 | H29 | 120.1° | 120.0° |
| C27 | C22 | C21 | C20 | 172.5° | 177.3° |
| C27 | C22 | C23 | H29 | 119.2° | 120.0° |
| C27 | C22 | C23 | C24 | 53.6° | 60.0° |
| C27 | C22 | C21 | H28 | 69.6° | 61.3° |
| C27 | C22 | C23 | H30 | 66.1° | 60.0° |
| C27 | C22 | C23 | H31 | 173.4° | 179.9° |
| C22 | C27 | C26 | H37 | 55.1° | 180.0° |
| C22 | C27 | C26 | H36 | 175.9° | 60.0° |
| C22 | C27 | H38 | H39 | 118.0° | 120.0° |
| C26 | C25 | C24 | H35 | 119.8° | 120.0° |
| C26 | C25 | C24 | H34 | 119.8° | 120.0° |
| C26 | C25 | C24 | C23 | 61.8° | 60.1° |
| C26 | C25 | C24 | H33 | 58.6° | 180.0° |
| C26 | C25 | C24 | H32 | 177.8° | 60.0° |
| C26 | C25 | H35 | H34 | 120.7° | 120.0° |
| C25 | C26 | H37 | H36 | 121.1° | 120.0° |
| C25 | C26 | C27 | H38 | 56.1° | 180.0° |
| C25 | C26 | C27 | H39 | 174.8° | 60.0° |
| C22 | C21 | C20 | H28 | 117.7° | 121.4° |
| C21 | C22 | C23 | H29 | 120.9° | 120.0° |
| C22 | C21 | C20 | O8 | 33.9° | 26.2° |
| C22 | C21 | C20 | N1 | 151.1° | 153.8° |
| C21 | C22 | C23 | C24 | 173.6° | 180.0° |
| C21 | C22 | C23 | H30 | 53.9° | 60.0° |
| C21 | C22 | C23 | H31 | 66.6° | 60.0° |
| C21 | C22 | C27 | H38 | 61.3° | 60.0° |
| C21 | C22 | C27 | H39 | 57.4° | 60.0° |
| C20 | C21 | C22 | C23 | 68.6° | 62.7° |
| C21 | C20 | O8 | N1 | 175.1° | 180.0° |
| C21 | C20 | N1 | C19 | 4.4° | 32.1° |
| C21 | C20 | N1 | C15 | 169.8° | 148.9° |
| C20 | C21 | C22 | H29 | 52.3° | 57.3° |
| O7 | C14 | C15 | N1 | 178.8° | 78.4° |
| O7 | C14 | C15 | C16 | 56.9° | 41.0° |
| O7 | C14 | C15 | H19 | 57.1° | 161.7° |
| C14 | C15 | N1 | C20 | 86.8° | 113.5° |
| C14 | C15 | N1 | C19 | 79.1° | 67.5° |
| C14 | C15 | N1 | C16 | 120.9° | 119.4° |
| C14 | C15 | N1 | H19 | 121.4° | 120.2° |
| C14 | C15 | C16 | H19 | 114.1° | 120.7° |
| C14 | C15 | C16 | C17 | 75.8° | 65.4° |
| C14 | C15 | C16 | H20 | 44.4° | 54.5° |
| C14 | C15 | C16 | H21 | 164.1° | 174.6° |
| C22 | C23 | C24 | C25 | 57.6° | 60.1° |
| C22 | C23 | C24 | H30 | 119.7° | 120.0° |
| C22 | C23 | C24 | H31 | 119.8° | 119.9° |
| C23 | C22 | C21 | H28 | 49.4° | 58.7° |
| C22 | C23 | H30 | H31 | 120.8° | 120.0° |
| C22 | C23 | C24 | H33 | 62.8° | 180.0° |
| C22 | C23 | C24 | H32 | 178.0° | 60.0° |
| C23 | C22 | C27 | H38 | 59.8° | 180.0° |
| C23 | C22 | C27 | H39 | 178.5° | 60.0° |
| O8 | C20 | N1 | C19 | 170.4° | 147.9° |
| O8 | C20 | N1 | C15 | 5.0° | 31.1° |
| O8 | C20 | C21 | H28 | 151.6° | 147.6° |
| C20 | N1 | C19 | C15 | 165.3° | 179.0° |
| C20 | N1 | C19 | C18 | 153.3° | 127.5° |
| C20 | N1 | C15 | C16 | 152.3° | 127.2° |
| C20 | N1 | C15 | H19 | 34.6° | 6.7° |
| C20 | N1 | C19 | H27 | 33.1° | 7.7° |
| C20 | N1 | C19 | H26 | 86.4° | 112.7° |
| N1 | C20 | C21 | H28 | 33.4° | 32.4° |
| N1 | C19 | C18 | H27 | 120.2° | 119.9° |
| N1 | C19 | C18 | H26 | 120.2° | 119.7° |
| C19 | N1 | C15 | C16 | 41.8° | 51.8° |
| N1 | C19 | C18 | C17 | 51.9° | 53.6° |
| C19 | N1 | C15 | H19 | 159.4° | 172.3° |
| N1 | C19 | C18 | H25 | 68.1° | 173.7° |
| N1 | C19 | C18 | H24 | 172.0° | 66.4° |
| N1 | C19 | H27 | H26 | 119.2° | 120.3° |
| C18 | C19 | N1 | C15 | 41.4° | 51.5° |
| C19 | C18 | C17 | H25 | 120.1° | 120.1° |
| C19 | C18 | C17 | H24 | 120.0° | 120.0° |
| C19 | C18 | C17 | C16 | 64.6° | 61.5° |
| C19 | C18 | C17 | H23 | 175.6° | 58.5° |
| C19 | C18 | C17 | H22 | 55.2° | 178.5° |
| C19 | C18 | H25 | H24 | 119.9° | 119.8° |
| C18 | C19 | H27 | H26 | 119.2° | 120.3° |
| N1 | C15 | C16 | H19 | 118.0° | 120.1° |
| N1 | C15 | C16 | C17 | 52.1° | 53.8° |
| N1 | C15 | C16 | H20 | 172.2° | 173.7° |
| N1 | C15 | C16 | H21 | 68.1° | 66.3° |
| C15 | N1 | C19 | H27 | 161.6° | 171.3° |
| C15 | N1 | C19 | H26 | 78.9° | 68.2° |
| C25 | C24 | C23 | H33 | 120.4° | 119.9° |
| C25 | C24 | C23 | H32 | 120.4° | 120.0° |
| C25 | C24 | C23 | H30 | 62.1° | 59.9° |
| C25 | C24 | C23 | H31 | 177.4° | 180.0° |
| C25 | C24 | H33 | H32 | 118.7° | 120.0° |
| C24 | C25 | H35 | H34 | 120.7° | 120.0° |
| C24 | C25 | C26 | H37 | 57.8° | 180.0° |
| C24 | C25 | C26 | H36 | 178.5° | 60.0° |
| C15 | C16 | C17 | C18 | 65.3° | 61.3° |
| C15 | C16 | C17 | H20 | 120.1° | 119.9° |
| C15 | C16 | C17 | H21 | 120.1° | 120.0° |
| C15 | C16 | H20 | H21 | 119.6° | 120.1° |
| C15 | C16 | C17 | H23 | 174.8° | 58.7° |
| C15 | C16 | C17 | H22 | 54.5° | 178.7° |
| C18 | C17 | C16 | H23 | 119.8° | 120.0° |
| C18 | C17 | C16 | H22 | 119.8° | 120.0° |
| C18 | C17 | C16 | H20 | 174.5° | 178.8° |
| C18 | C17 | C16 | H21 | 54.8° | 58.7° |
| C18 | C17 | H23 | H22 | 120.6° | 120.0° |
| C17 | C18 | H25 | H24 | 119.9° | 119.9° |
| C17 | C18 | C19 | H27 | 172.2° | 173.5° |
| C17 | C18 | C19 | H26 | 68.3° | 66.1° |
| C17 | C16 | C15 | H19 | 170.1° | 173.9° |
| C17 | C16 | H20 | H21 | 119.6° | 120.1° |
| C16 | C17 | H23 | H22 | 120.5° | 120.0° |
| C16 | C17 | C18 | H25 | 55.5° | 178.4° |
| C16 | C17 | C18 | H24 | 175.4° | 58.5° |
| C24 | C23 | C22 | H29 | 65.5° | 60.0° |
| C24 | C23 | H30 | H31 | 120.8° | 120.0° |
| C23 | C24 | H33 | H32 | 118.8° | 120.0° |
| C23 | C24 | C25 | H35 | 178.4° | 59.9° |
| C23 | C24 | C25 | H34 | 58.0° | 180.0° |
| H13 | C11 | C10 | H11 | 177.2° | 43.8° |
| H13 | C11 | C12 | H15 | 124.2° | 70.8° |
| H13 | C11 | C12 | H16 | 7.2° | 169.3° |
| H13 | C11 | O5 | H14 | 61.0° | 60.1° |
| H7 | C7 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H11 | 132.3° | 152.8° |
| H9 | C9 | C10 | H11 | 105.6° | 86.9° |
| H11 | C10 | O4 | H12 | 64.7° | 176.6° |
| H15 | C12 | C13 | H17 | 168.6° | 110.2° |
| H15 | C12 | C13 | H18 | 70.1° | 9.8° |
| H16 | C12 | C13 | H17 | 51.6° | 129.8° |
| H16 | C12 | C13 | H18 | 172.9° | 110.2° |
| H2 | C1 | H3 | H1 | 120.0° | 120.1° |
| H19 | C15 | C16 | H20 | 69.8° | 66.2° |
| H19 | C15 | C16 | H21 | 49.9° | 53.9° |
| H20 | C16 | C17 | H23 | 54.7° | 61.2° |
| H20 | C16 | C17 | H22 | 65.7° | 58.8° |
| H21 | C16 | C17 | H23 | 65.0° | 178.7° |
| H21 | C16 | C17 | H22 | 174.6° | 61.3° |
| H23 | C17 | C18 | H25 | 64.3° | 61.6° |
| H23 | C17 | C18 | H24 | 55.6° | 178.5° |
| H22 | C17 | C18 | H25 | 175.3° | 58.4° |
| H22 | C17 | C18 | H24 | 64.8° | 61.5° |
| H25 | C18 | C19 | H27 | 52.1° | 66.5° |
| H25 | C18 | C19 | H26 | 171.6° | 53.9° |
| H24 | C18 | C19 | H27 | 67.8° | 53.4° |
| H24 | C18 | C19 | H26 | 51.7° | 173.8° |
| H28 | C21 | C22 | H29 | 170.3° | 178.7° |
| H29 | C22 | C23 | H30 | 174.8° | 180.0° |
| H29 | C22 | C23 | H31 | 54.2° | 59.9° |
| H29 | C22 | C27 | H38 | 178.8° | 60.0° |
| H29 | C22 | C27 | H39 | 62.5° | 180.0° |
| H30 | C23 | C24 | H33 | 177.5° | 60.0° |
| H30 | C23 | C24 | H32 | 58.3° | 180.0° |
| H31 | C23 | C24 | H33 | 57.0° | 60.1° |
| H31 | C23 | C24 | H32 | 62.2° | 60.0° |
| H33 | C24 | C25 | H35 | 61.2° | 60.0° |
| H33 | C24 | C25 | H34 | 178.4° | 60.0° |
| H32 | C24 | C25 | H35 | 58.0° | 180.0° |
| H32 | C24 | C25 | H34 | 62.4° | 60.0° |
| H35 | C25 | C26 | H37 | 62.0° | 60.0° |
| H35 | C25 | C26 | H36 | 58.8° | NaN° |
| H34 | C25 | C26 | H37 | 177.6° | 60.0° |
| H34 | C25 | C26 | H36 | 61.7° | 60.0° |
| H37 | C26 | C27 | H38 | 175.7° | 60.0° |
| H37 | C26 | C27 | H39 | 65.6° | 60.0° |
| H36 | C26 | C27 | H38 | 63.5° | 60.0° |
| H36 | C26 | C27 | H39 | 55.2° | 180.0° |
