A1IN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C11 | sing | 1.43Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| O3 | C8 | sing | 1.36Å | 1.41Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| O5 | C12 | sing | 1.43Å | 1.41Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C7 | sing | 1.43Å | 1.43Å | |
| O2 | C6 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | O6 | sing | 1.45Å | 1.46Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C22 | sing | 1.51Å | 1.52Å | |
| O6 | C15 | sing | 1.35Å | 1.35Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C15 | O7 | doub | 1.21Å | 1.19Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C20 | N1 | sing | 1.46Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C21 | O8 | doub | 1.21Å | 1.23Å | |
| C21 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C16 | sing | 1.46Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | 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 | H14 | sing | 0.97Å | 0.95Å | |
| O5 | H16 | sing | 0.97Å | 0.95Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | 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 | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | 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) |
| O4 | C11 | C10 | 103.3° | 109.5° |
| O4 | C11 | C12 | 125.4° | 109.5° |
| O4 | C11 | H13 | 105.7° | 109.5° |
| C11 | O4 | H14 | 109.5° | 114.0° |
| C10 | C9 | O3 | 91.3° | 109.7° |
| C9 | C10 | C11 | 116.2° | 109.4° |
| C10 | C9 | H10 | 113.8° | 109.4° |
| C10 | C9 | H9 | 113.8° | 109.5° |
| C9 | C10 | H11 | 107.7° | 109.5° |
| C9 | C10 | H12 | 107.7° | 109.5° |
| C9 | O3 | C8 | 120.4° | 116.9° |
| O3 | C9 | H10 | 113.8° | 109.4° |
| O3 | C9 | H9 | 113.8° | 109.4° |
| C10 | C11 | C12 | 110.8° | 109.4° |
| C10 | C11 | H13 | 105.2° | 109.5° |
| C11 | C10 | H11 | 107.8° | 109.5° |
| C11 | C10 | H12 | 107.8° | 109.4° |
| C11 | C12 | O5 | 107.8° | 109.5° |
| C11 | C12 | C13 | 127.9° | 109.1° |
| C12 | C11 | H13 | 104.9° | 109.4° |
| C11 | C12 | H15 | 103.7° | 109.5° |
| O3 | C8 | C2 | 123.5° | 120.3° |
| O3 | C8 | C6 | 117.8° | 119.9° |
| C1 | O1 | C2 | 121.9° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | C8 | 114.5° | 120.1° |
| O1 | C2 | C3 | 125.4° | 120.1° |
| O5 | C12 | C13 | 106.9° | 109.6° |
| O5 | C12 | H15 | 104.9° | 109.6° |
| C12 | O5 | H16 | 109.5° | 114.0° |
| C12 | C13 | C14 | 114.2° | 109.7° |
| C13 | C12 | H15 | 103.6° | 109.6° |
| C12 | C13 | H17 | 108.3° | 109.4° |
| C12 | C13 | H18 | 108.3° | 109.5° |
| C2 | C8 | C6 | 118.7° | 119.8° |
| C8 | C2 | C3 | 120.1° | 119.8° |
| C8 | C6 | O2 | 113.5° | 120.0° |
| C8 | C6 | C5 | 120.7° | 120.0° |
| C7 | O2 | C6 | 120.0° | 117.0° |
| O2 | C7 | H7 | 109.5° | 109.4° |
| O2 | C7 | H8 | 109.5° | 109.5° |
| O2 | C7 | H6 | 109.4° | 109.5° |
| O2 | C6 | C5 | 125.7° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.2° |
| C2 | C3 | H4 | 119.8° | 119.9° |
| C6 | C5 | C4 | 120.4° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C13 | C14 | O6 | 107.3° | 109.2° |
| C13 | C14 | H19 | 110.0° | 109.3° |
| C13 | C14 | H20 | 110.0° | 109.7° |
| C14 | C13 | H17 | 108.3° | 109.4° |
| C14 | C13 | H18 | 108.3° | 109.4° |
| C3 | C4 | C5 | 119.2° | 120.2° |
| C3 | C4 | C22 | 120.6° | 120.2° |
| C4 | C3 | H4 | 119.7° | 119.9° |
| C14 | O6 | C15 | 120.4° | 118.2° |
| O6 | C14 | H19 | 110.0° | 109.5° |
| O6 | C14 | H20 | 110.0° | 109.5° |
| C5 | C4 | C22 | 119.6° | 119.6° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C4 | C22 | C23 | 115.0° | 109.8° |
| C4 | C22 | C21 | 108.8° | 107.7° |
| C4 | C22 | H30 | 107.2° | 109.8° |
| O6 | C15 | O7 | 126.2° | 120.1° |
| O6 | C15 | C16 | 110.5° | 120.7° |
| C27 | C28 | C23 | 114.7° | 109.4° |
| C28 | C27 | C26 | 111.4° | 109.5° |
| C28 | C27 | H39 | 109.0° | 109.5° |
| C28 | C27 | H38 | 109.0° | 109.5° |
| C27 | C28 | H40 | 108.1° | 109.4° |
| C27 | C28 | H41 | 108.2° | 109.5° |
| C28 | C23 | C22 | 112.8° | 109.4° |
| C28 | C23 | C24 | 110.1° | 109.5° |
| C28 | C23 | H31 | 107.3° | 109.5° |
| C23 | C28 | H40 | 108.2° | 109.5° |
| C23 | C28 | H41 | 108.1° | 109.5° |
| C23 | C22 | C21 | 111.0° | 109.8° |
| C22 | C23 | C24 | 112.1° | 109.5° |
| C23 | C22 | H30 | 107.0° | 109.8° |
| C22 | C23 | H31 | 107.1° | 109.5° |
| C22 | C21 | O8 | 122.0° | 119.4° |
| C22 | C21 | N1 | 118.2° | 121.0° |
| C21 | C22 | H30 | 107.4° | 109.8° |
| C27 | C26 | C25 | 110.7° | 109.5° |
| C27 | C26 | H37 | 109.1° | 109.5° |
| C27 | C26 | H36 | 109.1° | 109.4° |
| C26 | C27 | H39 | 109.0° | 109.5° |
| C26 | C27 | H38 | 109.0° | 109.5° |
| O7 | C15 | C16 | 123.3° | 119.3° |
| C15 | C16 | N1 | 110.5° | 109.0° |
| C15 | C16 | C17 | 109.2° | 109.6° |
| C15 | C16 | H21 | 109.0° | 109.3° |
| C23 | C24 | C25 | 111.4° | 109.5° |
| C24 | C23 | H31 | 107.1° | 109.5° |
| C23 | C24 | H32 | 109.0° | 109.5° |
| C23 | C24 | H33 | 109.0° | 109.5° |
| N1 | C20 | C19 | 113.2° | 109.9° |
| C20 | N1 | C21 | 122.6° | 120.3° |
| C20 | N1 | C16 | 121.2° | 120.1° |
| N1 | C20 | H29 | 108.5° | 109.4° |
| N1 | C20 | H28 | 108.6° | 109.4° |
| C20 | C19 | C18 | 110.0° | 110.4° |
| C20 | C19 | H27 | 109.3° | 109.3° |
| C20 | C19 | H26 | 109.3° | 109.1° |
| C19 | C20 | H29 | 108.5° | 109.4° |
| C19 | C20 | H28 | 108.5° | 109.4° |
| O8 | C21 | N1 | 119.4° | 119.5° |
| C21 | N1 | C16 | 116.0° | 119.6° |
| N1 | C16 | C17 | 109.6° | 109.6° |
| N1 | C16 | H21 | 109.5° | 109.5° |
| C16 | C17 | C18 | 109.3° | 108.6° |
| C17 | C16 | H21 | 109.0° | 109.8° |
| C16 | C17 | H22 | 109.5° | 109.6° |
| C16 | C17 | H23 | 109.5° | 109.6° |
| C26 | C25 | C24 | 113.9° | 109.4° |
| C26 | C25 | H35 | 108.3° | 109.5° |
| C26 | C25 | H34 | 108.3° | 109.5° |
| C25 | C26 | H37 | 109.2° | 109.5° |
| C25 | C26 | H36 | 109.2° | 109.5° |
| C19 | C18 | C17 | 110.1° | 109.7° |
| C19 | C18 | H25 | 109.3° | 109.4° |
| C19 | C18 | H24 | 109.3° | 109.4° |
| C18 | C19 | H27 | 109.3° | 109.3° |
| C18 | C19 | H26 | 109.3° | 109.3° |
| C18 | C17 | H22 | 109.5° | 109.6° |
| C18 | C17 | H23 | 109.5° | 109.8° |
| C17 | C18 | H25 | 109.3° | 109.4° |
| C17 | C18 | H24 | 109.3° | 109.4° |
| C25 | C24 | H32 | 109.0° | 109.5° |
| C25 | C24 | H33 | 109.0° | 109.5° |
| C24 | C25 | H35 | 108.4° | 109.4° |
| C24 | C25 | H34 | 108.4° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H6 | 109.4° | 109.4° |
| H8 | C7 | H6 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.6° |
| H25 | C18 | H24 | 109.5° | 109.4° |
| H27 | C19 | H26 | 109.5° | 109.3° |
| H29 | C20 | H28 | 109.5° | 109.3° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H35 | C25 | H34 | 109.5° | 109.5° |
| H37 | C26 | H36 | 109.5° | 109.5° |
| H39 | C27 | H38 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C11 | C10 | C9 | 118.5° | 103.6° |
| O4 | C11 | C10 | C12 | 136.5° | 120.0° |
| O4 | C11 | C10 | H13 | 110.6° | 120.1° |
| O4 | C11 | C12 | H13 | 122.2° | 120.0° |
| O4 | C11 | C12 | O5 | 33.3° | 46.6° |
| O4 | C11 | C12 | C13 | 96.2° | 166.5° |
| O4 | C11 | C10 | H11 | 2.5° | 136.4° |
| O4 | C11 | C10 | H12 | 120.5° | 16.4° |
| O4 | C11 | C12 | H15 | 144.1° | 73.6° |
| C10 | C9 | O3 | H10 | 116.8° | 120.1° |
| C10 | C9 | O3 | H9 | 116.8° | 120.1° |
| C9 | C10 | C11 | H11 | 121.0° | 120.0° |
| C9 | C10 | C11 | H12 | 121.0° | 120.0° |
| C9 | C10 | C11 | C12 | 105.0° | 136.4° |
| C10 | C9 | O3 | C8 | 69.6° | 52.8° |
| C9 | C10 | C11 | H13 | 7.9° | 16.5° |
| C10 | C9 | H10 | H9 | 128.6° | 119.9° |
| C9 | C10 | H11 | H12 | 116.9° | 120.0° |
| O3 | C9 | C10 | C11 | 158.1° | 173.3° |
| C9 | O3 | C8 | C2 | 111.2° | 69.7° |
| C9 | O3 | C8 | C6 | 69.8° | 108.7° |
| O3 | C9 | H10 | H9 | 128.6° | 119.8° |
| O3 | C9 | C10 | H11 | 80.9° | 53.3° |
| O3 | C9 | C10 | H12 | 37.1° | 66.7° |
| C10 | C11 | C12 | H13 | 113.0° | 120.0° |
| C10 | C11 | C12 | O5 | 158.1° | 73.4° |
| C10 | C11 | C12 | C13 | 28.6° | 46.5° |
| C11 | C10 | C9 | H10 | 85.1° | 66.6° |
| C11 | C10 | C9 | H9 | 41.3° | 53.2° |
| C11 | C10 | H11 | H12 | 116.9° | 120.0° |
| C10 | C11 | C12 | H15 | 91.1° | 166.4° |
| C10 | C11 | O4 | H14 | 180.0° | 60.0° |
| C11 | C12 | O5 | C13 | 140.4° | 119.6° |
| C11 | C12 | O5 | H15 | 110.0° | 120.2° |
| C11 | C12 | C13 | H15 | 119.7° | 119.9° |
| C11 | C12 | C13 | C14 | 160.9° | 175.7° |
| C12 | C11 | C10 | H11 | 134.1° | 16.4° |
| C12 | C11 | C10 | H12 | 16.0° | 103.6° |
| C11 | C12 | C13 | H17 | 40.2° | 64.3° |
| C11 | C12 | C13 | H18 | 78.4° | 55.6° |
| C12 | C11 | O4 | H14 | 52.1° | 180.0° |
| C11 | C12 | O5 | H16 | 180.0° | 180.0° |
| O3 | C8 | C2 | O1 | 5.1° | 3.0° |
| O3 | C8 | C2 | C6 | 179.0° | 178.4° |
| O3 | C8 | C6 | O2 | 2.3° | 3.0° |
| O3 | C8 | C2 | C3 | 176.7° | 176.8° |
| O3 | C8 | C6 | C5 | 178.8° | 177.0° |
| C8 | O3 | C9 | H10 | 173.6° | 172.9° |
| C8 | O3 | C9 | H9 | 47.2° | 67.3° |
| C1 | O1 | C2 | C8 | 177.4° | 180.0° |
| C1 | O1 | C2 | C3 | 4.6° | 0.3° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C2 | C8 | C3 | 178.2° | 179.8° |
| O1 | C2 | C8 | C6 | 175.9° | 178.6° |
| O1 | C2 | C3 | C4 | 172.4° | 180.0° |
| O1 | C2 | C3 | H4 | 7.7° | 0.2° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O5 | C12 | C13 | H15 | 110.5° | 120.3° |
| O5 | C12 | C13 | C14 | 31.1° | 55.9° |
| O5 | C12 | C11 | H13 | 88.9° | 166.7° |
| O5 | C12 | C13 | H17 | 89.6° | 175.9° |
| O5 | C12 | C13 | H18 | 151.8° | 64.2° |
| C12 | C13 | C14 | H17 | 120.7° | 120.1° |
| C12 | C13 | C14 | H18 | 120.7° | 120.1° |
| C12 | C13 | C14 | O6 | 141.2° | 119.4° |
| C12 | C13 | C14 | H19 | 21.5° | 120.8° |
| C12 | C13 | C14 | H20 | 99.1° | 0.7° |
| C13 | C12 | C11 | H13 | 141.7° | 73.5° |
| C12 | C13 | H17 | H18 | 117.8° | 119.9° |
| C13 | C12 | O5 | H16 | 39.6° | 60.5° |
| C2 | C8 | C6 | O2 | 178.6° | 178.6° |
| C2 | C8 | C6 | C5 | 0.3° | 1.4° |
| C8 | C2 | C3 | C4 | 5.6° | 0.2° |
| C8 | C2 | C3 | H4 | 174.4° | 180.0° |
| C8 | C6 | O2 | C7 | 166.4° | 180.0° |
| C8 | C6 | O2 | C5 | 178.8° | 180.0° |
| C6 | C8 | C2 | C3 | 2.3° | 1.7° |
| C8 | C6 | C5 | C4 | 1.4° | 0.3° |
| C8 | C6 | C5 | H5 | 178.5° | 179.7° |
| C7 | O2 | C6 | C5 | 14.8° | 0.0° |
| O2 | C7 | H7 | H8 | 120.0° | 120.0° |
| O2 | C7 | H7 | H6 | 120.0° | 119.9° |
| O2 | C7 | H8 | H6 | 120.0° | 120.0° |
| O2 | C6 | C5 | C4 | 177.3° | 179.7° |
| O2 | C6 | C5 | H5 | 2.7° | 0.3° |
| C6 | O2 | C7 | H7 | 180.0° | 180.0° |
| C6 | O2 | C7 | H8 | 60.0° | 60.0° |
| C6 | O2 | C7 | H6 | 60.0° | 60.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 6.7° | 1.5° |
| C2 | C3 | C4 | C22 | 177.8° | 178.3° |
| C6 | C5 | C4 | C3 | 4.6° | 1.7° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C22 | 175.8° | 178.0° |
| C13 | C14 | O6 | H19 | 119.7° | 119.7° |
| C13 | C14 | O6 | H20 | 119.7° | 120.2° |
| C13 | C14 | O6 | C15 | 161.1° | 131.3° |
| C13 | C14 | H19 | H20 | 121.0° | 120.2° |
| C14 | C13 | C12 | H15 | 79.4° | 64.4° |
| C14 | C13 | H17 | H18 | 117.9° | 119.9° |
| C3 | C4 | C5 | C22 | 171.1° | 179.8° |
| C3 | C4 | C22 | C23 | 60.0° | 131.0° |
| C3 | C4 | C22 | C21 | 65.2° | 109.5° |
| C3 | C4 | C5 | H5 | 175.3° | 178.2° |
| C3 | C4 | C22 | H30 | 178.9° | 10.1° |
| C14 | O6 | C15 | O7 | 0.2° | 2.7° |
| C14 | O6 | C15 | C16 | 179.3° | 177.0° |
| O6 | C14 | H19 | H20 | 121.0° | 120.1° |
| O6 | C14 | C13 | H17 | 98.1° | 120.5° |
| O6 | C14 | C13 | H18 | 20.5° | 0.7° |
| C5 | C4 | C22 | C23 | 111.0° | 49.2° |
| C5 | C4 | C22 | C21 | 123.8° | 70.3° |
| C5 | C4 | C3 | H4 | 173.2° | 178.3° |
| C5 | C4 | C22 | H30 | 7.9° | 170.1° |
| C4 | C22 | C23 | C28 | 42.8° | 60.0° |
| C4 | C22 | C23 | C21 | 124.1° | 118.2° |
| C4 | C22 | C23 | H30 | 119.0° | 120.9° |
| C4 | C22 | C21 | H30 | 115.8° | 119.5° |
| C4 | C22 | C23 | C24 | 167.7° | 180.0° |
| C4 | C22 | C21 | O8 | 90.2° | 73.2° |
| C4 | C22 | C21 | N1 | 83.2° | 106.8° |
| C22 | C4 | C5 | H5 | 4.2° | 2.0° |
| C22 | C4 | C3 | H4 | 2.2° | 1.9° |
| C4 | C22 | C23 | H31 | 75.1° | 60.0° |
| O6 | C15 | O7 | C16 | 179.5° | 179.8° |
| O6 | C15 | C16 | N1 | 1.4° | 88.9° |
| O6 | C15 | C16 | C17 | 122.1° | 151.2° |
| C15 | O6 | C14 | H19 | 79.2° | 11.6° |
| C15 | O6 | C14 | H20 | 41.5° | 108.5° |
| O6 | C15 | C16 | H21 | 118.9° | 30.8° |
| C27 | C28 | C23 | H40 | 120.8° | 120.0° |
| C27 | C28 | C23 | H41 | 120.8° | 120.0° |
| C27 | C28 | C23 | C22 | 178.0° | NaN° |
| C28 | C27 | C26 | H39 | 120.3° | 120.0° |
| C28 | C27 | C26 | H38 | 120.3° | 120.0° |
| C27 | C28 | C23 | C24 | 52.0° | 60.0° |
| C28 | C27 | C26 | C25 | 51.3° | 60.0° |
| C27 | C28 | C23 | H31 | 64.3° | 60.0° |
| C28 | C27 | C26 | H37 | 171.5° | 60.0° |
| C28 | C27 | C26 | H36 | 68.9° | 180.0° |
| C28 | C27 | H39 | H38 | 119.1° | 120.0° |
| C27 | C28 | H40 | H41 | 117.6° | 120.0° |
| C28 | C23 | C22 | C24 | 124.9° | 120.0° |
| C28 | C23 | C22 | H31 | 117.9° | 120.0° |
| C28 | C23 | C22 | C21 | 166.9° | 178.3° |
| C23 | C28 | C27 | C26 | 52.0° | 60.0° |
| C28 | C23 | C24 | H31 | 116.4° | 120.0° |
| C28 | C23 | C24 | C25 | 52.4° | 60.0° |
| C28 | C23 | C22 | H30 | 76.2° | 60.8° |
| C28 | C23 | C24 | H32 | 67.9° | 60.0° |
| C28 | C23 | C24 | H33 | 172.7° | 179.9° |
| C23 | C28 | C27 | H39 | 68.3° | 180.0° |
| C23 | C28 | C27 | H38 | 172.3° | 60.0° |
| C23 | C28 | H40 | H41 | 117.6° | 120.0° |
| C23 | C22 | C21 | H30 | 116.6° | 120.9° |
| C22 | C23 | C24 | H31 | 117.2° | 120.0° |
| C23 | C22 | C21 | O8 | 37.4° | 46.4° |
| C23 | C22 | C21 | N1 | 149.2° | 133.7° |
| C22 | C23 | C24 | C25 | 178.8° | 180.0° |
| C22 | C23 | C24 | H32 | 58.5° | 60.0° |
| C22 | C23 | C24 | H33 | 60.9° | 60.0° |
| C22 | C23 | C28 | H40 | 57.2° | 60.0° |
| C22 | C23 | C28 | H41 | 61.2° | 60.0° |
| C21 | C22 | C23 | C24 | 68.2° | 61.8° |
| C22 | C21 | N1 | C20 | 3.6° | 22.2° |
| C22 | C21 | O8 | N1 | 173.3° | 180.0° |
| C22 | C21 | N1 | C16 | 177.6° | 158.7° |
| C21 | C22 | C23 | H31 | 49.1° | 58.2° |
| C27 | C26 | C25 | H37 | 120.2° | 120.0° |
| C27 | C26 | C25 | H36 | 120.2° | 120.0° |
| C27 | C26 | C25 | C24 | 54.9° | 60.0° |
| C27 | C26 | C25 | H35 | 65.7° | 180.0° |
| C27 | C26 | C25 | H34 | 175.6° | 60.0° |
| C27 | C26 | H37 | H36 | 119.4° | 120.0° |
| C26 | C27 | H39 | H38 | 119.2° | 120.0° |
| C26 | C27 | C28 | H40 | 68.8° | 180.0° |
| C26 | C27 | C28 | H41 | 172.8° | 60.0° |
| O7 | C15 | C16 | N1 | 179.0° | 90.9° |
| O7 | C15 | C16 | C17 | 58.4° | 29.0° |
| O7 | C15 | C16 | H21 | 60.6° | 149.4° |
| C15 | C16 | N1 | C20 | 77.0° | 80.2° |
| C15 | C16 | N1 | C21 | 97.2° | 100.7° |
| C15 | C16 | N1 | C17 | 120.4° | 119.9° |
| C15 | C16 | N1 | H21 | 120.0° | 119.5° |
| C15 | C16 | C17 | H21 | 119.0° | 120.1° |
| C15 | C16 | C17 | C18 | 66.5° | 141.6° |
| C15 | C16 | C17 | H22 | 53.5° | 21.8° |
| C15 | C16 | C17 | H23 | 173.5° | 98.5° |
| C23 | C24 | C25 | C26 | 55.9° | 60.0° |
| C23 | C24 | C25 | H32 | 120.3° | 120.0° |
| C23 | C24 | C25 | H33 | 120.3° | 120.0° |
| C24 | C23 | C22 | H30 | 48.7° | 59.2° |
| C23 | C24 | H32 | H33 | 119.2° | 120.0° |
| C23 | C24 | C25 | H35 | 64.7° | 180.0° |
| C23 | C24 | C25 | H34 | 176.6° | 60.0° |
| C24 | C23 | C28 | H40 | 68.8° | 180.0° |
| C24 | C23 | C28 | H41 | 172.8° | 60.0° |
| N1 | C20 | C19 | H29 | 120.5° | 120.1° |
| N1 | C20 | C19 | H28 | 120.6° | 120.2° |
| C20 | N1 | C21 | O8 | 170.0° | 157.8° |
| C20 | N1 | C21 | C16 | 174.0° | 179.1° |
| C20 | N1 | C16 | C17 | 43.4° | 39.7° |
| N1 | C20 | C19 | C18 | 43.6° | 5.9° |
| C20 | N1 | C16 | H21 | 163.0° | 160.3° |
| N1 | C20 | C19 | H27 | 76.5° | 126.2° |
| N1 | C20 | C19 | H26 | 163.6° | 114.2° |
| N1 | C20 | H29 | H28 | 118.3° | 119.8° |
| C19 | C20 | N1 | C21 | 148.6° | 123.4° |
| C19 | C20 | N1 | C16 | 37.6° | 55.8° |
| C20 | C19 | C18 | H27 | 120.1° | 120.3° |
| C20 | C19 | C18 | H26 | 120.1° | 120.1° |
| C20 | C19 | C18 | C17 | 58.7° | 51.7° |
| C20 | C19 | C18 | H25 | 178.8° | 171.7° |
| C20 | C19 | C18 | H24 | 61.4° | 68.4° |
| C20 | C19 | H27 | H26 | 119.7° | 119.4° |
| C19 | C20 | H29 | H28 | 118.3° | 119.8° |
| O8 | C21 | N1 | C16 | 4.0° | 21.3° |
| O8 | C21 | C22 | H30 | 154.0° | 167.3° |
| C21 | N1 | C16 | C17 | 142.5° | 139.4° |
| C21 | N1 | C16 | H21 | 22.9° | 18.9° |
| C21 | N1 | C20 | H29 | 28.1° | 3.2° |
| C21 | N1 | C20 | H28 | 90.8° | 116.5° |
| N1 | C21 | C22 | H30 | 32.6° | 12.7° |
| N1 | C16 | C17 | H21 | 119.9° | 120.4° |
| N1 | C16 | C17 | C18 | 54.7° | 22.0° |
| N1 | C16 | C17 | H22 | 174.7° | 97.7° |
| N1 | C16 | C17 | H23 | 65.3° | 141.9° |
| C16 | N1 | C20 | H29 | 158.1° | 175.9° |
| C16 | N1 | C20 | H28 | 82.9° | 64.4° |
| C16 | C17 | C18 | C19 | 66.1° | 67.8° |
| C16 | C17 | C18 | H22 | 120.0° | 119.7° |
| C16 | C17 | C18 | H23 | 120.0° | 119.8° |
| C16 | C17 | H22 | H23 | 120.1° | 120.4° |
| C16 | C17 | C18 | H25 | 173.8° | 172.2° |
| C16 | C17 | C18 | H24 | 53.9° | 52.3° |
| C26 | C25 | C24 | H35 | 120.6° | 120.0° |
| C26 | C25 | C24 | H34 | 120.6° | 120.0° |
| C26 | C25 | C24 | H32 | 64.3° | 60.0° |
| C26 | C25 | C24 | H33 | 176.3° | 180.0° |
| C26 | C25 | H35 | H34 | 118.0° | 120.0° |
| C25 | C26 | H37 | H36 | 119.4° | 120.0° |
| C25 | C26 | C27 | H39 | 68.9° | 179.9° |
| C25 | C26 | C27 | H38 | 171.6° | 60.0° |
| C19 | C18 | C17 | H25 | 120.1° | 120.1° |
| C19 | C18 | C17 | H24 | 120.1° | 120.0° |
| C19 | C18 | C17 | H22 | 173.9° | 52.0° |
| C19 | C18 | C17 | H23 | 53.8° | 172.4° |
| C19 | C18 | H25 | H24 | 119.7° | 119.9° |
| C18 | C19 | H27 | H26 | 119.8° | 119.6° |
| C18 | C19 | C20 | H29 | 164.1° | 126.1° |
| C18 | C19 | C20 | H28 | 77.0° | 114.2° |
| C18 | C17 | C16 | H21 | 174.5° | 98.3° |
| C18 | C17 | H22 | H23 | 120.1° | 120.5° |
| C17 | C18 | H25 | H24 | 119.7° | 119.9° |
| C17 | C18 | C19 | H27 | 61.4° | 68.6° |
| C17 | C18 | C19 | H26 | 178.8° | 171.7° |
| C25 | C24 | C23 | H31 | 64.0° | 60.0° |
| C25 | C24 | H32 | H33 | 119.1° | 120.0° |
| C24 | C25 | H35 | H34 | 118.0° | 120.0° |
| C24 | C25 | C26 | H37 | 175.1° | 60.0° |
| C24 | C25 | C26 | H36 | 65.2° | 180.0° |
| H19 | C14 | C13 | H17 | 142.2° | 0.8° |
| H19 | C14 | C13 | H18 | 99.1° | 119.0° |
| H20 | C14 | C13 | H17 | 21.6° | 119.4° |
| H20 | C14 | C13 | H18 | 140.2° | 120.8° |
| H13 | C11 | C10 | H11 | 113.1° | 103.5° |
| H13 | C11 | C10 | H12 | 128.9° | 136.4° |
| H13 | C11 | C12 | H15 | 22.0° | 46.4° |
| H13 | C11 | O4 | H14 | 69.8° | 60.1° |
| H7 | C7 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H11 | 35.9° | 173.4° |
| H10 | C9 | C10 | H12 | 153.9° | 53.3° |
| H9 | C9 | C10 | H11 | 162.3° | 66.7° |
| H9 | C9 | C10 | H12 | 79.7° | 173.2° |
| H15 | C12 | C13 | H17 | 159.9° | 55.6° |
| H15 | C12 | C13 | H18 | 41.3° | 175.5° |
| H15 | C12 | O5 | H16 | 70.0° | 59.8° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H21 | C16 | C17 | H22 | 65.5° | 141.9° |
| H21 | C16 | C17 | H23 | 54.6° | 21.6° |
| H22 | C17 | C18 | H25 | 53.8° | 68.1° |
| H22 | C17 | C18 | H24 | 66.0° | 172.0° |
| H23 | C17 | C18 | H25 | 66.3° | 52.3° |
| H23 | C17 | C18 | H24 | 173.9° | 67.6° |
| H25 | C18 | C19 | H27 | 58.7° | 51.4° |
| H25 | C18 | C19 | H26 | 61.2° | 68.2° |
| H24 | C18 | C19 | H27 | 178.5° | 171.3° |
| H24 | C18 | C19 | H26 | 58.7° | 51.7° |
| H27 | C19 | C20 | H29 | 44.0° | 113.6° |
| H27 | C19 | C20 | H28 | 162.9° | 6.1° |
| H26 | C19 | C20 | H29 | 75.8° | 5.9° |
| H26 | C19 | C20 | H28 | 43.1° | 125.6° |
| H30 | C22 | C23 | H31 | 165.9° | 179.2° |
| H31 | C23 | C24 | H32 | 175.7° | 180.0° |
| H31 | C23 | C24 | H33 | 56.3° | 60.0° |
| H31 | C23 | C28 | H40 | 174.9° | 60.0° |
| H31 | C23 | C28 | H41 | 56.5° | NaN° |
| H32 | C24 | C25 | H35 | 175.0° | 60.0° |
| H32 | C24 | C25 | H34 | 56.3° | 180.0° |
| H33 | C24 | C25 | H35 | 55.6° | 60.0° |
| H33 | C24 | C25 | H34 | 63.1° | 60.0° |
| H35 | C25 | C26 | H37 | 54.5° | 60.0° |
| H35 | C25 | C26 | H36 | 174.1° | 60.0° |
| H34 | C25 | C26 | H37 | 64.2° | 180.0° |
| H34 | C25 | C26 | H36 | 55.4° | 60.0° |
| H37 | C26 | C27 | H39 | 51.3° | 60.0° |
| H37 | C26 | C27 | H38 | 68.2° | 180.0° |
| H36 | C26 | C27 | H39 | 170.9° | 60.0° |
| H36 | C26 | C27 | H38 | 51.4° | 60.0° |
| H39 | C27 | C28 | H40 | 170.9° | 60.0° |
| H39 | C27 | C28 | H41 | 52.5° | 60.0° |
| H38 | C27 | C28 | H40 | 51.5° | 60.0° |
| H38 | C27 | C28 | H41 | 66.9° | 180.0° |
